#DEFINITION	Reference Metabolome for Vitis vinifera
#IDENTTFIER	RefMeta-Vitis vinifera.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Vitis vinifera
#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 Vitis vinifera 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	341.2496
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
97.11644745	0.07
100.8462296	0.03
105.0148697	0.25
107.0680618	0.61
109.0992889	2.08
110.930748	0.40
116.8815765	0.29
117.9033966	0.02
118.579277	0.03
121.0056534	3.49
123.0343323	0.92
124.9658508	0.69
126.0966797	0.08
130.9549866	0.28
132.9772644	0.87
135.0934753	4.39
136.9961243	0.80
139.1035156	0.07
140.7401276	0.14
143.0195007	0.99
145.0675964	0.20
146.8804626	3.43
149.0735474	1.61
151.0899353	0.72
155.1363831	0.19
156.9595032	1.16
159.1263733	0.21
160.936676	2.01
163.204895	0.92
165.0999756	0.78
166.1994019	0.06
169.1066895	1.19
171.0658875	0.44
172.9691162	0.93
175.0489502	1.27
177.1640472	0.43
179.1593628	0.17
180.9647522	0.18
181.9740143	0.05
183.0770264	0.32
184.108429	0.17
185.2328491	0.15
187.1119537	1.67
189.036499	1.04
191.1980286	0.38
193.2090149	0.05
195.0709686	0.20
197.0459595	0.35
199.2593384	0.06
200.9620056	0.24
203.1881409	0.59
205.1644897	0.70
207.3037415	0.14
209.0359192	0.21
211.0650635	0.70
213.1618652	0.19
215.1525574	0.37
217.1064453	1.57
219.090271	0.08
220.9340515	0.38
223.2926025	0.51
225.1143494	0.38
227.0595703	0.33
228.2501526	0.03
229.1885986	1.15
230.1499634	0.05
231.1880188	0.86
233.1130371	0.14
235.1322327	0.20
238.1575623	0.02
239.2095337	0.08
241.2277832	0.19
243.1963196	0.57
245.2188721	1.25
247.2472534	5.97
253.2343445	0.19
255.2265015	0.22
257.2400513	0.23
259.3108521	0.43
263.2244263	0.04
264.7927856	0.04
267.3153076	0.04
269.605835	0.11
271.1476135	0.54
273.2155457	0.03
279.40271	0.02
281.3147278	0.15
283.2590942	0.28
285.2744446	0.32
287.1207275	0.34
291.1730347	0.03
295.1333923	0.47
296.1532288	0.08
297.2635193	0.81
299.3092041	1.64
303.1720276	0.11
305.2972107	1.92
309.8840942	0.06
311.3009338	0.03
313.3713684	0.76
318.2753601	0.12
321.6656189	0.06
323.2359924	100.00
324.0556335	0.69
325.2394714	0.02
327.2192383	0.07
341.317627	1.19
346.2264099	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.07
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
85.10360718	0.32
89.02944946	0.92
97.05491638	0.32
110.1662445	0.52
119.0171356	0.35
122.9188995	0.32
127.0146484	0.83
143.0703125	0.35
146.0850677	1.52
151.0668335	0.62
152.9386139	0.77
167.029892	1.42
178.0979614	0.69
179.0061646	1.44
183.1567841	1.28
190.0281219	0.62
195.1988525	0.39
205.1490326	1.22
207.1542816	7.96
208.087204	2.43
209.2868195	3.16
215.2551727	0.49
218.9338379	0.47
220.7534943	1.90
221.820343	3.70
223.0657349	6.25
223.6801453	0.26
233.0319824	8.23
235.0931854	0.96
236.0348511	0.27
251.063736	100.00
252.1370087	17.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	505.1328
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
184.9984436	0.02
255.1451416	0.03
262.1013794	0.02
286.3375854	0.13
301.0710449	100.00
301.9257812	0.01
309.4412537	0.09
313.3746643	0.01
323.2996826	0.01
325.1876221	0.04
330.4895325	0.04
343.1525574	0.07
354.2402344	0.05
381.3702087	0.07
396.8023682	0.02
432.2753906	0.01
441.1954651	0.08
442.2980042	0.02
445.2436523	0.03
457.0968018	0.01
459.2887268	0.04
461.2316589	0.04
469.1622925	0.02
487.0600281	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	405.05
Annotation	Patientoside B
Peak:m/z	Relative Intensity
126.9613876	0.11
138.3612213	0.04
214.9614868	0.10
237.3982239	0.06
238.0201416	0.05
247.3029480	0.06
249.3578491	0.06
269.1318665	0.18
271.7182922	0.21
275.3019714	0.12
278.8906860	0.10
284.9526367	3.98
287.1615906	0.05
291.1940918	0.16
297.0547485	0.94
306.9114685	0.34
310.1300659	0.45
314.4668579	0.34
315.0816650	1.19
316.3665771	0.21
317.1121826	0.16
321.0117188	0.85
327.1179810	1.03
329.6769409	0.24
338.9385986	0.37
343.6748047	0.07
344.9447632	6.89
350.8843384	2.56
356.0467834	0.09
356.7853699	0.12
359.1948242	0.21
362.6326599	0.32
364.0798950	0.11
367.1745300	0.06
369.0489502	18.12
370.2995911	0.16
377.1607056	0.10
385.0186462	13.15
387.0024719	100.00
388.3252258	0.07
404.8714905	0.15
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
84.99443054	0.32
88.9111557	0.14
90.84106445	0.19
92.83461761	0.30
94.96121979	1.39
97.03582764	1.51
98.95658875	0.28
107.029129	0.63
109.0478363	1.38
109.9573898	0.08
110.9745636	0.86
112.9710312	0.60
114.9272156	0.05
117.0161133	0.25
119.0502243	0.28
120.9860611	1.54
122.9494171	1.60
125.0116806	0.24
126.9341278	0.77
128.9933929	0.25
130.9950256	0.13
132.942749	0.46
134.9248657	1.78
136.4525452	0.31
137.1091309	0.13
139.0252991	3.85
141.0792236	0.56
143.1582947	0.64
145.1961365	0.40
147.1181335	0.58
149.0506897	0.74
151.0084076	0.40
153.0523987	1.76
155.0504456	0.09
157.2514343	0.36
161.0316772	0.27
163.2546082	0.09
165.1593628	0.66
167.2726746	0.34
168.9430695	1.19
171.1299744	1.00
171.9924774	0.21
173.0142517	0.47
175.0584869	0.89
179.2600098	0.85
181.0772552	0.70
183.0214233	2.82
185.2206726	2.20
187.2587891	0.50
189.1322632	0.79
191.3432312	0.11
193.3467255	0.44
194.1504517	0.04
195.0987549	0.55
197.0489502	4.38
199.0732422	1.20
201.1569824	0.13
203.0854492	2.01
204.1705322	0.08
205.2364807	0.16
209.1670532	0.72
211.2210693	2.68
212.9603271	1.14
217.3806152	0.32
219.1690979	1.31
221.1307068	2.73
223.2330322	0.33
225.2167664	1.43
227.1372986	0.99
229.0584412	0.16
233.2684021	1.21
235.0189514	0.47
237.2461243	3.93
239.0805359	8.68
241.4526367	0.92
243.1481628	2.94
244.3580627	0.06
251.1288757	2.72
253.2249451	1.23
255.1841125	0.95
256.357666	0.28
257.2178345	0.81
261.1954956	5.54
262.0722046	0.17
263.6358643	0.41
269.2037354	0.37
270.9596252	0.23
277.2648926	0.16
279.223938	100.00
280.3297119	0.55
281.0915833	0.30
288.2384338	1.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	663.1671
Annotation	SC 28762
Peak:m/z	Relative Intensity
202.1655273	0.01
203.0423584	0.01
207.2241211	0.01
210.0802002	0.03
211.1544189	0.02
216.0933685	0.04
223.2815552	0.02
227.1991730	0.02
237.2968292	0.01
243.2457733	0.04
250.9030762	0.02
265.1059570	0.06
266.1188354	0.22
281.2377930	0.02
284.3201294	0.02
293.2490845	0.02
294.1270752	0.32
295.2375488	0.06
297.0303650	0.01
310.0158081	0.12
311.0236206	0.15
312.2318115	0.02
322.1438293	0.19
323.0813599	0.27
325.2044678	0.04
327.2091675	0.02
333.0867920	0.01
339.1127625	1.33
340.1614075	0.65
351.0834351	0.02
355.1351929	100.00
356.0180664	0.01
366.3767700	0.04
392.2723999	0.02
430.5989380	0.02
459.9375000	0.03
501.0983887	0.02
517.1719360	0.01
617.2619019	0.01
644.8744507	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.09
Annotation	Sinapoyltartronate
Peak:m/z	Relative Intensity
102.8949585	0.58
112.9834747	4.37
116.9325104	0.04
130.8977814	2.02
134.0437622	0.25
143.0688782	0.04
145.1614685	0.17
148.9953003	4.50
160.8769836	0.03
163.0721893	0.53
173.0972595	0.02
177.4333038	0.14
178.1063843	0.38
178.8865356	0.01
187.1768341	0.16
189.0448303	0.03
193.0128784	100.00
203.1183167	0.01
205.1569519	1.20
206.1080627	0.18
217.0958862	0.28
219.0482178	0.16
228.8857422	0.04
235.1071472	11.29
238.2587585	0.04
247.1656494	0.05
250.7853394	0.05
252.7650146	0.02
255.1888428	0.02
260.9671326	0.06
263.2663574	0.03
265.1124878	11.32
277.5930176	0.04
278.9627075	0.19
281.1268616	0.19
289.1286926	1.44
295.1810913	0.22
307.1481323	0.72
310.3937378	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1089
Annotation	fagopyritol B1
Peak:m/z	Relative Intensity
100.9736481	10.56
113.0072174	21.29
115.1361923	0.46
118.9931488	20.22
124.9090958	1.05
130.8979492	5.23
142.9877625	29.96
148.964798	3.86
161.0250244	19.26
179.0609894	100.00
220.9390259	0.73
223.1518555	1.58
240.9021912	0.74
267.016571	1.12
269.1750488	0.47
276.9212036	0.55
279.4241333	0.41
280.9808655	1.67
295.1190186	5.18
297.0985107	1.95
298.012085	0.75
311.1177979	1.46
322.9693909	2.45
323.8916931	0.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.07
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
88.68699646	1.60
97.01634216	1.36
116.8493805	0.74
123.0761108	0.45
127.1705933	0.50
135.1090546	0.49
137.0240631	1.51
138.8146362	0.22
143.0466156	0.99
149.1129608	0.37
160.9463959	0.39
163.0387726	1.24
167.0752258	1.09
173.1679382	0.28
174.7519836	0.22
177.1316376	1.37
179.15242	2.45
183.1951447	1.16
189.0509949	2.36
191.1543274	0.52
193.192276	1.96
194.8585815	2.34
205.1763763	3.77
207.0928497	12.09
208.1352997	3.01
209.263504	4.65
220.83461	0.43
222.1118011	1.82
223.0529785	2.56
223.9205627	0.53
231.1045074	0.97
233.1769867	7.85
251.0690918	100.00
252.1877594	20.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	324.05
Annotation	Unknow
Peak:m/z	Relative Intensity
116.0491333	0.03
117.8821259	0.07
119.9279785	0.05
121.1636200	0.06
131.6250000	0.04
135.1318207	0.01
147.2400208	0.01
149.0758057	0.16
151.3407135	0.01
156.4203949	0.01
161.9178162	0.02
166.0401459	0.01
167.0982666	0.01
168.1174469	0.05
173.9896393	0.02
176.0712128	0.02
176.8757629	0.06
180.0336456	0.08
181.0069427	0.02
184.0947418	0.36
185.8985443	0.43
191.0860443	0.02
194.1315613	0.05
195.1206970	0.03
196.0855255	0.04
198.1331787	0.10
201.9876404	0.03
204.0058594	0.28
206.7428894	0.07
207.6603088	0.02
209.0774231	0.03
210.0827942	0.01
212.1093750	3.45
213.4902039	0.03
216.1132202	0.12
217.3820190	0.01
218.0562134	0.08
222.3730469	0.01
223.6939697	0.01
224.3564758	0.04
226.2018738	0.02
227.7839050	0.06
230.1607056	0.02
232.0467529	0.11
233.9271851	8.63
234.5999451	0.12
235.9326477	0.01
237.2615356	0.01
239.4266663	0.19
240.2939148	0.13
247.2374268	0.03
249.7911682	0.11
252.1078491	0.29
256.9297180	0.02
257.7325745	0.02
260.2655334	0.06
261.0434570	0.02
262.1258545	0.09
264.0250244	0.06
265.1043701	0.04
266.0638733	0.02
268.1513367	100.00
268.7693481	0.33
269.8453979	0.28
276.0213623	0.45
278.0967102	0.29
278.9958496	0.13
280.1123047	0.29
281.5272217	0.03
283.1260986	0.02
288.0188599	0.74
289.0864868	0.04
293.2293701	0.01
293.9726562	0.08
296.3408203	0.03
298.3142700	0.01
305.9044800	5.25
306.5944214	0.18
308.2316895	0.42
309.1526489	0.03
310.2546387	0.01
324.1568604	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
128.8170776	0.14
142.2974548	0.06
173.2135620	0.03
174.9976501	0.16
178.8711853	0.07
212.5302429	0.08
221.2075195	0.04
259.2784729	0.03
272.0830688	0.04
289.2003174	0.83
302.9353333	2.15
341.2328491	100.00
359.1861572	0.13
368.8568420	0.15
386.9194336	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	833.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
243.0557709	0.17
251.0595551	0.41
255.1604614	0.22
261.0785217	0.78
263.3055725	0.14
269.8384705	0.44
271.0995178	0.20
273.3725586	0.05
281.1553345	0.97
286.1084595	0.15
289.2244568	0.11
297.2083435	0.14
298.9722900	0.07
303.1664124	0.58
310.9649963	0.33
314.3418579	0.10
319.0749207	0.26
323.1104126	1.39
329.2015991	4.32
340.9219666	0.54
343.3220825	0.05
347.1899414	4.53
353.2167664	0.35
355.0484619	0.15
359.0104370	0.10
365.0902100	0.37
371.1558533	1.10
379.1605835	0.10
383.3047791	0.37
389.0216675	0.10
395.3198242	0.30
401.0981445	0.32
443.2432251	0.33
449.1546021	0.09
451.0553589	0.08
455.0667114	0.35
463.0571289	0.33
465.2751465	0.16
473.0530396	0.49
485.3098145	0.09
490.4672852	0.25
491.2026367	5.33
501.2827759	0.76
509.1480103	32.06
509.7528687	0.12
515.0551147	0.04
517.1795044	4.55
525.3219604	0.09
531.3858643	0.19
535.2205811	1.63
543.5966187	0.12
545.2113647	0.15
551.0015869	0.14
587.1860962	0.10
627.3217163	0.74
645.2584839	0.13
653.1486206	18.40
653.7636719	0.09
656.2838745	0.06
667.2577515	0.09
671.1580200	100.00
671.8356323	0.19
673.6124878	0.11
679.2262573	1.92
695.2103882	0.68
701.1782227	0.07
702.0495605	0.07
712.8221436	0.09
726.4624023	0.22
737.3402100	0.15
742.3684082	0.05
743.0738525	0.23
748.2224121	0.11
755.0852661	0.04
761.0012207	0.05
767.3870239	0.14
779.3318481	0.30
789.4123535	0.11
796.2119751	0.16
797.2780151	1.22
814.9052734	1.45
815.5220337	0.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	376.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
122.2838058	0.06
123.0724258	0.06
127.0866241	0.08
134.9367981	0.14
146.0495453	0.03
146.8781891	0.05
151.3664551	0.04
159.2723083	0.10
160.9920044	0.06
163.0265198	0.07
165.0093994	0.14
166.9370270	0.03
173.0044403	0.07
177.0747681	0.07
178.9789124	0.04
187.1979675	0.05
193.2208862	0.03
195.2105103	0.04
199.2715454	0.05
201.9809875	0.24
210.7911072	0.05
212.0547943	11.23
213.0569153	0.42
213.9920807	0.12
217.9540253	0.09
224.0635376	100.00
225.1651001	2.31
227.3178711	0.02
236.1714783	0.72
236.9825134	0.16
238.2071838	0.31
239.2629089	0.13
242.8349609	0.09
245.0699158	0.14
251.6403503	0.41
252.2707520	0.13
254.0719299	10.24
255.1754761	1.47
263.2937012	0.18
265.3129272	0.06
266.0236816	0.39
269.2568970	0.06
272.2010193	0.04
275.3355103	0.16
285.4512939	0.30
286.2051697	0.17
287.2334290	0.18
288.0820618	0.07
295.3160400	0.11
296.9520874	0.05
300.3657837	0.11
303.1597290	0.20
308.3045044	0.10
309.0020142	0.27
312.3227539	0.15
313.0834961	0.36
315.9594727	0.02
317.2243652	0.15
321.9342651	0.19
322.6383667	0.06
326.9859009	0.40
330.1217651	0.18
332.3088989	0.15
333.0530701	0.02
335.2454224	0.04
340.4024353	0.16
341.0477295	0.39
345.2687073	0.14
348.1979675	0.17
349.5815735	0.12
358.1809998	4.66
359.3163147	0.85
361.2489929	0.14
364.6484680	0.06
366.5773621	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	292.92
Annotation	Unknow
Peak:m/z	Relative Intensity
96.9270477	0.06
176.9537048	2.04
194.8969879	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	352.1382
Annotation	Rhizocticin A
Peak:m/z	Relative Intensity
104.9187851	0.21
109.0364380	0.07
110.9177856	0.17
115.0140991	0.21
118.2095795	0.16
121.2424316	0.08
127.0875702	0.14
129.9737244	1.43
130.9427643	0.31
133.1631165	0.19
145.0706635	0.12
154.9840240	0.45
156.0123138	0.12
157.1183472	0.24
159.8703156	0.36
163.0679016	0.15
169.0341034	0.21
170.7636414	0.17
173.2149200	0.20
181.2310486	0.27
187.0454865	0.63
188.1951599	0.46
198.8420410	0.09
202.1499329	0.09
204.2256927	0.09
206.0372314	14.74
218.0999451	6.67
223.3168945	0.21
230.0210876	0.88
233.9539490	0.11
237.2792358	0.31
238.1769104	0.03
241.9566650	0.29
244.0565186	0.22
245.2063904	0.12
248.1709290	100.00
249.0830688	0.16
255.2562561	0.42
256.1013794	0.27
258.1321716	0.60
260.4985352	0.38
261.8916016	0.45
266.2747803	0.17
267.4019775	0.14
270.0834961	1.00
272.0621338	3.98
272.7192993	0.06
278.1555481	0.43
280.0708008	0.16
284.9587708	0.18
287.8845215	0.06
290.1779175	0.37
294.4872131	0.19
296.4327087	0.19
298.1588745	8.61
299.2272339	0.07
303.1589355	0.32
306.0230103	0.25
306.9618225	0.15
311.0789795	0.07
316.0524597	15.59
316.8596802	0.77
317.5192261	0.09
324.0357971	0.27
332.2361145	0.15
334.2285461	62.86
335.2549744	0.37
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
85.04460144	0.07
90.97042084	0.08
92.98540497	0.43
94.85692596	1.62
97.0068512	0.89
99.1572113	0.33
104.8999481	0.17
107.0889587	0.31
109.028656	1.47
111.0366898	0.57
113.0293732	0.48
116.7022629	0.22
119.0307617	0.25
120.9942474	1.16
123.0029144	0.72
124.8033295	0.26
127.0284576	0.44
128.7504272	0.18
130.8677979	0.11
132.9794006	0.78
134.9581909	1.11
136.8906708	1.50
138.9929657	2.40
140.934906	0.45
143.1469727	0.32
145.1239319	0.42
147.2725983	0.09
149.0545349	0.49
151.0647278	0.96
153.0802765	0.86
154.8421326	0.73
157.075058	0.21
159.2223206	0.24
160.9969482	0.50
162.9841919	0.35
165.2236633	0.13
167.0566101	0.89
169.0709839	2.06
171.2041626	0.66
173.0124664	0.11
175.2372437	0.43
176.2833099	0.16
177.1398621	0.30
179.0395355	0.49
181.0562744	1.08
183.0423584	2.28
185.0785522	1.02
187.1142578	0.54
189.066864	0.46
191.211853	0.10
193.1139526	0.45
194.0608673	0.13
195.0950317	0.84
197.1165161	3.00
199.1221619	0.81
201.0394592	0.59
202.3728943	0.27
203.1523743	0.48
205.1306763	0.06
206.9161682	0.62
209.0469971	1.14
211.116333	1.29
213.177002	1.34
215.1207886	0.65
216.1818542	0.16
217.2969055	0.39
219.1257019	1.68
221.1695862	2.48
223.1137085	0.95
225.1765442	0.99
227.0663147	1.09
229.0312195	0.05
229.8259888	0.13
232.660614	0.47
233.4062805	1.69
235.8976746	0.22
237.1309204	3.97
239.2255859	9.40
241.1219482	0.81
243.1808777	1.76
249.1278076	0.06
251.125061	2.75
253.2445984	1.69
255.253479	1.58
255.9881897	0.06
257.1679077	1.17
261.1989136	3.46
263.2225342	0.31
269.3649292	0.77
270.0891113	0.08
271.0961304	0.17
275.1121826	0.33
279.2283936	100.00
279.9550171	0.15
281.0188904	0.35
288.2170715	0.58
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
139.9091187	0.47
152.992157	0.24
196.1004639	1.06
214.0939026	0.85
242.0979004	0.04
261.2980347	0.26
269.1985474	0.12
279.2384338	100.00
305.9881592	0.08
325.199646	0.35
328.3077393	0.05
355.1460266	0.06
386.2048645	0.08
397.3837585	0.10
406.3004761	0.22
415.6499329	0.28
430.232605	0.09
432.2208252	0.06
433.1603699	0.16
458.037323	0.60
459.228241	0.38
475.9373169	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
98.94186401	0.17
101.0527344	0.13
102.9494019	0.08
104.956192	0.23
106.9928894	0.90
109.1283264	1.17
110.8559647	0.43
112.9572067	0.05
115.1150589	0.03
116.7062225	0.48
119.1338348	0.40
121.0561981	3.01
123.079277	0.56
125.0817947	0.47
129.0014954	0.29
131.0795898	0.87
132.9669952	0.47
135.0809326	3.19
137.0103455	0.52
139.1247559	0.27
141.0904236	0.15
143.026413	2.48
144.8934479	0.48
146.9607849	0.29
149.1228943	0.81
150.0561218	0.13
151.2503662	1.17
154.9387207	0.08
156.986557	0.78
159.0392303	1.26
161.1481018	1.03
163.1797333	0.28
165.0479431	0.74
167.072464	0.31
169.1138763	2.34
169.8210907	0.09
171.1574097	1.13
172.1573792	0.32
173.0345764	3.43
174.963028	0.66
175.9832764	0.11
177.0557709	0.33
179.0429688	0.21
181.1852112	0.23
182.0596466	0.28
182.9603271	2.06
185.2597961	0.09
187.0366821	2.82
189.0243988	0.05
191.1017761	0.38
193.0427246	0.18
195.0522614	0.04
197.1035156	1.24
199.1716003	0.28
201.0776215	0.57
203.1310425	0.08
205.2201538	1.56
209.05896	0.07
210.9862671	1.08
212.887085	0.10
215.158844	0.28
217.1139832	0.49
219.2426758	0.19
221.0938416	0.08
223.2668152	1.24
225.1071777	0.10
227.2554016	0.05
229.2143555	0.39
231.0670166	0.36
233.0379333	0.03
235.2891541	0.03
239.2767334	0.08
241.1988525	0.40
243.2510681	0.19
245.1844788	0.98
247.329834	4.69
249.9724426	0.21
251.4083557	0.03
253.3070374	0.24
255.3179626	0.47
259.1821899	0.91
261.4758911	0.09
263.1966248	0.36
265.1903381	0.15
266.2341309	0.05
267.1850891	0.27
269.1227417	0.17
271.1705322	0.31
272.9581299	0.07
275.0521851	0.13
277.0914307	0.54
279.2983398	0.06
280.4108887	0.04
281.2104187	0.10
282.5934753	0.10
283.2607422	0.46
285.4768982	0.16
286.2620544	0.11
287.3628845	0.57
289.2744751	0.08
295.3081055	1.18
296.2859192	0.49
297.3837891	0.55
299.1582642	3.41
303.379303	0.19
305.4060059	3.01
307.1649475	0.12
310.2211609	0.04
313.2894287	1.12
314.4328918	0.32
317.3924561	0.12
321.4104309	0.05
323.2429504	100.00
324.2730713	0.43
324.9194946	0.06
326.0857544	0.10
341.0543518	0.22
341.6937561	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	327.093
Annotation	7-Hydroxy-6-methyl-8-ribityl lumazine
Peak:m/z	Relative Intensity
97.0351715	0.04
101.0390549	0.26
113.0997620	0.36
114.9358673	6.28
118.9242783	0.51
126.8343658	0.05
128.9827881	14.10
130.9806519	0.31
143.1310120	0.84
145.0482178	0.04
146.9105225	100.00
148.7828674	0.50
150.8424377	0.15
160.8163452	0.74
167.8796997	0.07
169.1874237	0.11
179.0052490	7.94
190.7834167	0.15
193.0694580	0.34
195.0602722	0.22
223.1361694	0.11
228.9817200	0.23
231.1526184	0.14
237.1349792	0.07
241.1682129	0.12
251.3186340	0.06
255.1351624	0.05
264.4690247	0.10
265.2190552	0.03
280.7663269	0.86
281.4440308	0.06
282.9187622	0.35
284.2038269	0.03
295.0390625	0.48
298.4465942	0.10
299.4048157	0.09
307.1942139	0.14
309.2079468	0.36
327.0668335	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
201.1381531	0.07
205.1480713	0.07
229.0632782	0.25
255.184967	0.23
257.0946655	0.24
266.9232788	0.15
281.1195679	0.21
287.0621643	0.05
301.2514038	0.07
303.0551758	100.00
313.2290649	0.08
330.6203003	0.13
335.1685791	0.11
371.7619629	0.07
385.4178467	0.32
425.276123	0.04
431.0595703	0.05
449.2391968	0.05
458.3591309	0.05
460.3285522	0.05
461.0023193	0.08
472.2529907	0.07
513.3696899	0.20
522.2692261	0.14
529.1277466	0.05
553.18396	0.05
566.9509888	0.11
580.9055786	0.09
593.2365723	0.57
610.0583496	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	607.1453
Annotation	3-Demethylchartreusin
Peak:m/z	Relative Intensity
171.2352448	0.01
175.1794891	0.02
179.0611725	0.03
182.4967041	0.07
183.1902313	0.09
184.0431671	0.05
186.9470062	0.03
191.2563477	0.02
195.0988770	0.22
196.1173096	0.09
196.9012756	0.04
199.0846558	0.02
200.6433411	0.07
203.0690613	0.06
205.2039032	0.01
209.0046387	0.02
210.1553345	0.11
211.1497650	0.65
212.1714630	0.44
213.0257874	0.11
214.1306915	0.22
215.4112244	0.04
216.1561279	0.04
222.0283813	0.01
223.0112000	0.64
224.1041412	0.13
225.0247955	0.08
227.0608673	0.28
227.9967804	0.13
229.2528381	0.09
230.0914612	0.03
231.0311127	0.12
232.3091888	0.04
234.4264679	0.04
235.1804810	0.09
239.0714111	2.07
240.0901489	5.75
241.9573822	0.77
243.1923370	0.02
253.0948944	0.03
254.2514954	0.64
255.1143799	3.23
256.1787720	1.41
257.1894836	0.80
259.0749817	0.11
263.0475464	0.04
265.0929260	0.02
266.0357056	0.06
267.2982178	0.06
268.1560974	0.41
269.1716309	0.09
270.0551147	0.03
271.0794067	0.40
272.9375000	0.06
277.0983887	0.02
283.0784912	7.23
284.1267395	9.80
285.2323914	0.02
286.2183838	0.05
297.3933716	0.32
299.0684814	100.00
299.9254150	0.01
301.0955200	0.46
303.2628479	0.01
305.1173706	0.32
306.0465393	0.06
307.1060791	0.45
309.2411194	0.09
311.0651855	0.20
312.0893555	0.05
313.1174622	1.09
317.0690002	0.08
323.2568359	0.06
325.2971191	0.01
327.1876221	0.08
338.5174561	0.13
339.6506348	0.02
341.1964722	0.41
353.1198730	0.29
355.1483154	0.05
356.9066772	0.05
359.3317261	0.06
371.1959839	0.17
393.2994995	0.02
397.6644287	0.04
400.2672729	0.03
401.0665283	0.01
417.5298462	0.03
423.4193726	0.06
424.9951172	0.03
441.0361328	0.14
443.1519775	0.24
444.6652832	0.06
445.3637085	0.01
461.2077637	1.81
463.2100830	0.01
470.3656616	0.08
481.3442993	0.04
519.2221680	0.07
539.1559448	0.25
556.7438354	0.01
561.6365356	0.02
563.2260132	0.13
571.3703613	0.06
575.2935791	0.06
589.3834839	0.20
592.1339111	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	491.1764
Annotation	Crosatoside B
Peak:m/z	Relative Intensity
149.1007080	0.05
163.1604156	0.20
167.0839386	0.12
179.1978760	0.74
190.8264771	0.09
209.1901550	1.18
250.9749603	0.07
270.0250244	0.07
285.1787109	0.31
293.0205383	1.17
309.9367065	0.10
311.1012573	0.10
326.9888916	0.52
328.1686401	0.66
329.2210999	8.54
339.4712524	0.11
340.6636353	0.23
341.3173218	0.24
343.6076355	0.28
345.0737000	0.06
432.3766785	0.21
445.2222595	100.00
472.8424988	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.07
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
148.94664	0.20
174.0923615	0.12
179.1639252	0.63
180.1414032	0.21
180.9833221	0.39
193.9386749	0.07
195.1372833	0.15
205.9979706	0.07
207.1975098	2.86
208.0600128	2.37
209.2514801	1.06
221.9853668	1.77
223.1199951	5.61
223.9224243	0.33
251.0714874	100.00
252.157547	18.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
182.238205	0.19
199.7648315	0.30
216.8887634	0.15
228.2041016	0.16
233.2540894	0.07
245.0609436	0.07
274.1460571	0.15
285.8936462	0.21
295.2468872	0.14
301.171814	0.11
302.0933228	2.58
314.9565735	0.13
317.0752563	100.00
317.6839294	0.29
325.2747192	0.18
329.4016724	0.20
331.3796997	0.67
337.0268555	0.10
351.3826904	0.15
360.472229	0.42
365.111084	0.06
413.0411377	0.44
433.2359619	0.24
435.3421021	0.06
445.2443848	0.12
484.4749146	0.13
495.0704346	0.10
507.0184937	0.11
516.5361938	0.28
537.621521	0.06
539.2869263	0.07
550.2425537	0.32
553.2453003	0.06
575.1831665	0.14
589.0622559	0.50
606.6231689	1.36
607.6537476	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	601.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
178.9995422	1.01
203.4134521	0.05
220.8177795	0.70
222.9947205	0.45
231.8880768	0.10
233.2011871	0.19
259.1262207	1.32
281.1674500	0.61
300.2348022	0.31
315.1492004	0.09
323.1427612	1.94
330.9925537	0.37
341.0569458	2.86
383.2188721	8.88
403.0910034	0.06
413.1164551	0.30
421.1408081	3.41
439.1903076	7.53
442.9296265	0.91
467.0709839	0.14
485.2749634	0.42
503.2619019	100.00
541.3169556	0.13
583.3215332	13.88
584.0305176	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	554.8326
Annotation	Unknow
Peak:m/z	Relative Intensity
344.9140015	0.13
396.9700928	0.17
409.1085815	0.10
420.3118896	0.16
422.1279297	0.06
423.1897583	0.07
424.3381958	0.05
432.4993286	0.07
444.6372070	0.56
449.2148438	0.06
451.9743652	0.11
460.9057617	0.23
462.7502441	1.19
489.0536499	0.11
490.8339233	63.76
492.9395142	0.11
508.8159180	9.95
510.5957642	0.06
526.9763184	0.05
536.7650146	100.00
544.8328247	0.24
555.0747070	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	461.166
Annotation	Phenylethyl O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
131.0056000	1.30
142.9849701	0.54
148.9792175	8.72
161.0224915	0.55
178.8926392	0.82
191.0755310	1.70
220.1268921	0.94
220.9087372	6.55
238.4087524	0.25
239.0665894	0.46
249.6707764	0.25
250.8990784	2.50
262.9588013	0.66
275.1048279	0.26
280.9149475	1.44
282.8762512	0.94
293.1437378	2.69
299.2166748	0.38
310.4548340	2.02
311.0678711	15.26
325.0791626	0.14
328.2550049	0.11
329.4778442	0.19
342.8523560	0.04
415.0834656	100.00
415.7593689	0.24
417.1120605	0.06
443.1861267	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1527
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
217.0529938	0.16
234.9220276	0.06
245.0730591	0.07
246.0991211	0.36
263.2872925	0.07
267.0708313	0.06
274.142395	0.68
283.3423462	0.03
289.1989136	0.12
294.0595703	0.05
295.079071	0.12
301.0488281	0.48
302.0702515	3.38
307.1829224	0.08
317.0588379	100.00
318.1541138	0.40
326.1240234	0.11
335.255127	0.25
375.2915649	0.16
383.5982666	0.11
397.2505493	0.61
402.4549561	0.14
445.1273193	0.05
461.3786621	0.06
463.1412964	0.08
469.8917236	0.28
471.2665405	0.37
478.2962036	0.10
537.5027466	0.21
568.9721069	0.11
570.9918823	0.16
578.8590698	0.23
579.7706299	0.22
589.2207642	0.07
606.4953003	0.29
607.4354858	1.24
608.8290405	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
185.1103973	0.05
191.9654236	0.06
218.9911194	0.09
228.0897217	0.05
232.8058472	0.12
243.2287292	0.04
245.0286865	0.02
246.1041565	0.10
249.0509186	0.03
257.0197144	0.04
268.0119019	0.07
273.2505493	0.04
274.1375732	0.68
281.0006714	0.06
302.1271057	3.70
309.229126	0.03
317.0747681	100.00
317.9243774	0.04
332.0340576	0.37
333.0645142	0.02
380.4818726	0.03
389.1972046	0.05
421.4942627	0.05
444.8468628	0.02
448.4540405	0.10
463.1104126	0.24
470.1921387	0.10
478.8359985	0.22
493.0583496	0.05
544.1155396	0.18
570.7514038	0.11
581.5563354	0.04
589.3965454	0.01
606.9032593	0.15
608.3834839	0.05
609.8322144	0.02
615.2675171	0.05
626.352356	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	623.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
179.0276184	7.32
267.0445251	0.34
293.1146240	0.15
311.0089111	100.00
442.7335205	0.49
460.4744263	0.25
461.0908203	0.22
490.2082520	0.07
491.3706055	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	581.11
Annotation	5'-Methoxybilobetin
Peak:m/z	Relative Intensity
232.7668304	0.63
235.0719910	0.18
309.0451355	0.59
339.1206055	0.14
368.1187134	0.08
368.9500732	0.21
399.2996216	0.21
403.3800659	0.05
404.1979370	0.43
406.7840576	100.00
444.8079834	22.43
445.8847046	1.09
538.8826294	0.10
563.0231323	0.41
563.8367310	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	509.22
Annotation	Unknow
Peak:m/z	Relative Intensity
148.8855591	1.65
150.9475250	0.14
161.2823029	0.12
162.9829865	0.05
164.2232208	0.26
165.0397644	2.13
167.2162170	0.47
177.3257751	0.10
179.2042847	0.07
181.0805206	0.09
189.1175995	0.12
190.9439850	1.46
193.0348358	10.54
194.8393250	0.11
207.1795197	0.32
216.9908600	0.12
219.1538391	0.33
220.7505798	1.28
233.3338776	0.07
239.0325623	0.23
244.8882751	0.09
246.1162872	0.41
249.2793579	0.26
250.4580688	0.07
254.2448425	0.05
258.3554077	0.24
259.1532898	0.14
261.1585693	4.09
263.2612915	0.32
263.9543457	0.19
269.0324707	0.18
281.0739746	0.11
282.9478149	0.17
288.3041992	0.05
291.2169189	0.14
293.2004395	0.05
295.4262085	0.41
299.0960693	0.11
301.0856323	2.45
302.1572876	0.34
303.2130127	3.45
311.0255737	2.47
314.1409912	2.16
319.4957886	0.76
327.1914062	0.23
329.1354370	100.00
329.7512817	0.12
331.2319946	6.20
341.2503052	0.35
343.0346069	0.14
345.1539917	0.34
346.1139526	4.60
347.1177368	97.89
355.1172485	48.28
355.7398682	0.17
359.1185303	1.53
371.3470459	0.43
376.9749146	0.06
389.3306274	0.41
398.6932983	0.10
401.2628174	0.17
410.5152588	0.20
419.2133179	0.48
423.1824341	0.29
431.4749756	0.33
433.2219238	0.45
447.3912354	0.09
449.2210083	0.19
463.2677002	71.46
465.2684937	0.55
477.0829468	0.26
491.1851196	4.55
492.2066040	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
212.0749207	0.12
218.0710449	0.18
228.0437927	0.15
240.2969971	0.06
243.1235352	0.02
246.2665558	0.05
257.0725708	0.13
261.1793823	0.01
270.9914246	0.09
273.0822754	0.18
274.0949097	0.72
283.3862305	0.02
285.1921387	0.09
302.0829468	2.92
315.2470703	0.32
317.0634766	100.00
317.8952026	0.03
343.0667114	0.08
365.6470947	0.03
441.1340942	0.05
445.2928467	0.07
450.5682983	0.04
463.1689453	0.42
479.4379883	0.02
481.3361206	0.06
484.4917603	0.16
487.2218628	0.06
506.1502686	0.07
523.2531128	0.08
528.548645	0.06
535.1185303	0.09
553.2887573	0.05
560.4386597	0.13
570.8174438	0.14
589.2987671	0.07
597.7042236	0.07
607.0512695	0.22
607.9022217	0.11
610.8017578	0.03
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
93.04245758	0.24
101.0317917	0.06
112.9972687	0.08
127.0574341	0.10
129.0825653	0.03
131.0083313	0.09
155.0578613	0.03
161.2037506	0.14
171.1075287	0.10
173.2667847	0.06
175.0005341	0.08
179.2988129	0.04
192.7662201	0.05
196.0566711	0.10
199.2133331	0.26
201.0505524	0.16
205.5829773	0.07
215.0827942	0.42
217.012146	0.41
218.8951874	0.06
220.5225677	0.05
227.1988678	0.13
233.2084351	0.20
243.1448364	100.00
244.2061615	0.05
245.1381226	1.93
258.9272156	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.2593
Annotation	Octadecene-1,9,18-triol
Peak:m/z	Relative Intensity
115.0250168	0.55
143.1209717	3.32
152.9370728	0.95
171.1821747	2.98
172.2490845	1.13
181.0516357	1.03
184.160553	3.06
185.2050781	3.62
186.0535126	10.98
204.8181763	2.38
213.4234314	0.79
214.1411438	1.22
225.217804	9.32
227.0551453	4.45
233.178772	0.83
237.3444214	8.77
239.3046265	1.55
241.1093445	1.94
242.2156677	2.15
253.3746338	29.28
254.23349	0.50
255.2296753	21.19
263.2901611	11.99
266.8619995	0.32
268.3085938	2.21
271.3632812	2.48
279.2690125	2.68
281.24646	100.00
283.1349182	6.91
299.2680664	5.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	735.17
Annotation	Unknow
Peak:m/z	Relative Intensity
213.0212708	0.45
251.2384186	0.04
349.0204468	0.02
386.8997803	6.98
401.7992554	0.01
426.2849121	0.01
446.1870728	0.03
463.2827148	0.02
473.7249756	0.03
522.6228638	0.02
523.2368164	0.04
537.4580078	0.08
539.3173218	0.02
543.6894531	0.01
560.8793335	100.00
561.5617065	0.23
562.4782715	0.23
568.5724487	0.02
569.9757690	0.03
573.0128784	0.03
579.0758667	0.04
604.9019775	0.03
647.8814697	10.89
648.7337036	0.08
649.8895874	0.11
651.0216675	0.07
657.1580200	0.14
669.1345215	0.01
688.8790283	0.01
711.2350464	0.05
715.9764404	0.04
717.9318237	0.16
734.6269531	0.15
735.8687134	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
126.8707123	0.41
157.0927429	0.15
169.0891113	0.40
171.1437073	0.46
172.8934326	1.39
177.2147064	0.57
185.1078491	1.39
187.2411499	1.21
199.2169647	0.96
201.1034851	1.91
203.2718811	0.14
213.2478027	0.88
215.2476196	1.78
216.8857117	0.51
224.8475037	0.70
227.1713562	2.02
229.0964661	2.23
231.1986084	0.58
239.279541	0.20
241.1255493	1.87
243.2191162	3.23
245.1476135	0.52
255.3114624	0.95
257.1484375	4.14
258.3380432	0.30
259.0411072	0.15
263.1572876	0.86
267.1900635	0.25
269.1961975	2.70
271.3464355	7.25
273.173645	1.01
274.1434631	0.18
277.3287354	0.12
278.8622437	0.19
283.3362732	1.22
285.2529907	6.47
287.2541809	0.63
293.0197449	0.52
295.3896179	1.56
297.3413391	4.10
299.1999512	2.68
301.2536011	1.91
302.8018188	0.31
309.3232727	0.22
311.192749	1.29
313.2454224	2.07
314.0567017	0.11
315.444458	0.32
320.8933105	0.38
323.2567749	11.62
325.2883911	0.48
339.2454529	100.00
340.1977539	0.68
341.2826233	11.74
342.2279663	0.13
343.1687317	0.48
351.3022461	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	295.067
Annotation	Unknow
Peak:m/z	Relative Intensity
86.8676300	0.17
88.8200302	0.58
101.0236206	0.77
112.9962845	0.72
114.9916992	100.00
115.6606140	0.06
119.0509491	0.81
131.0599060	0.47
132.9565125	3.82
143.0953064	1.25
159.0290375	0.15
160.9331970	0.98
172.8609161	0.08
175.0731201	0.10
179.0579529	20.79
187.0321655	0.09
189.1378479	0.14
203.0856628	1.77
204.9897766	1.86
207.1862488	0.08
208.7068176	0.06
211.0022888	0.25
215.0153503	0.18
216.8828430	0.10
221.0928040	0.10
223.1485901	0.14
234.9393616	2.00
249.0285339	6.29
251.0883484	0.51
253.4122314	0.69
265.1411743	0.51
266.7865601	0.25
276.8956909	0.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	495.1117
Annotation	Quercetagetin 7-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
203.0852966	0.06
239.1687317	0.17
254.2035522	0.19
283.1719666	0.09
291.2142639	0.26
317.1952820	0.28
331.4285889	0.14
333.1022034	100.00
343.3878479	0.07
357.0110474	0.23
373.9912415	0.54
375.1777344	0.57
396.1965027	0.32
399.0647888	0.28
413.4061584	0.08
429.0406189	0.37
449.3349915	0.19
459.1637878	0.55
477.2220764	1.14
486.4164429	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.1584
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
202.0806885	0.17
205.0889587	0.02
213.1740875	0.12
213.8599396	0.03
217.2910614	0.05
221.0586853	0.10
230.0651245	0.49
231.0803528	0.08
242.1537933	0.02
246.1408234	0.07
257.2417908	0.02
258.0248718	0.98
259.1145935	1.15
267.0005493	0.07
268.0655212	0.14
269.1367188	0.12
272.1747131	0.03
286.092041	6.97
287.1243896	4.63
288.4767151	0.02
297.4755859	0.05
301.0685425	98.74
302.1143188	100.00
355.3498535	0.22
404.211731	0.03
415.5840454	0.11
446.4607544	0.03
447.9321289	0.13
464.446106	0.27
497.906311	0.05
522.3599854	0.05
539.6394653	0.04
571.0933228	0.06
592.3873901	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	463.088
Annotation	Spiraeoside
Peak:m/z	Relative Intensity
151.0217896	0.38
159.1552582	0.04
169.275528	0.02
177.3076172	0.02
178.9042664	0.87
184.951889	0.07
186.9292145	0.04
189.0345764	0.10
191.129425	0.03
192.009552	0.14
193.4267578	0.04
197.1195984	0.05
201.8115234	0.04
203.1737061	0.07
209.2048798	0.03
212.9695892	0.04
215.2996521	0.03
217.0499573	0.01
220.3612976	0.02
229.3198242	0.19
231.036972	0.08
241.0626678	0.04
243.8806458	0.03
255.1209717	0.47
256.084198	0.02
256.7077637	0.03
259.0610046	0.05
260.1741943	0.08
264.1965332	0.04
271.1600037	0.31
272.5505371	0.11
273.25354	0.26
280.8707581	0.03
282.4246826	0.17
283.1982727	0.26
285.3948364	0.17
287.1921997	0.07
297.265625	0.04
300.0458984	22.61
301.0422974	100.00
302.2940063	0.41
311.1505737	0.20
313.133728	0.30
315.1684875	0.02
316.9271545	0.05
319.057251	0.03
322.930603	0.08
324.8739014	0.28
331.4284973	0.10
337.2394409	0.17
341.0856323	0.04
343.124939	2.40
344.2264404	0.03
348.4151611	0.04
353.3490906	0.02
355.2719727	0.17
359.0147095	0.02
367.4727173	0.02
370.9676208	0.05
373.1244812	0.07
375.0191956	0.04
379.1807556	0.02
385.24823	0.08
386.4941101	0.02
387.375824	0.03
397.0752258	0.06
399.3813171	0.05
401.261322	0.01
403.1446838	0.04
404.0328064	0.06
417.118866	0.12
445.0593567	0.15
448.2631531	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	288.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
86.9577942	0.06
87.7054596	0.12
91.0158081	0.88
93.0217667	1.35
100.8120575	0.04
105.0054626	3.05
106.9771423	20.93
108.8932343	0.08
116.0266724	0.09
118.8633575	0.07
121.1640472	4.56
121.9837799	25.97
124.9672089	1.67
130.9971619	2.64
149.0388794	53.50
158.0862122	0.08
166.9719849	100.00
182.9647064	0.17
186.2801514	0.08
200.0101624	0.03
218.0228882	0.07
224.3058777	0.07
228.3088379	0.14
239.2820129	0.11
242.1046448	0.99
243.3789673	0.05
252.3182678	0.13
260.2354126	0.09
269.5882568	1.24
270.5277405	13.49
271.4736023	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.16
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
177.0631409	0.30
187.1353455	0.07
200.9598083	0.19
207.0057678	0.05
209.9645691	0.12
213.1042786	0.08
213.874939	0.03
229.1927948	0.07
230.016098	0.12
242.3268127	0.14
257.0482178	0.42
258.0661011	0.33
268.9563904	0.05
285.105896	0.04
286.1099854	6.23
301.0774536	100.00
302.2050171	0.23
314.2003174	0.19
317.1825562	0.13
341.9995728	0.06
403.1121216	0.07
433.0891724	0.19
447.2478638	0.40
454.2258301	0.21
457.1251831	0.21
461.8396606	0.19
463.1605225	0.28
475.347168	0.27
493.4071045	0.12
542.3353882	0.14
555.5172729	0.24
568.0834351	0.06
577.0079956	0.04
588.9350586	0.13
590.8567505	0.21
592.3275757	0.07
608.8674927	0.23
610.5501099	0.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
189.9770813	0.20
191.2468414	0.15
203.9912109	0.49
245.2455444	0.35
258.4049377	0.28
273.136261	0.16
274.0584412	0.32
274.8707886	0.10
302.1121216	3.85
303.1235962	3.39
317.0691223	89.62
318.1534424	100.00
319.3707886	0.16
371.3411865	0.20
411.5365601	0.44
428.5118408	0.14
444.5424805	0.18
449.4442139	0.27
458.1184082	0.08
463.7785034	0.16
506.0565796	0.25
516.1751709	0.16
549.9686279	0.10
608.4365234	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	477.1035
Annotation	Pedaliin
Peak:m/z	Relative Intensity
144.8456421	0.07
149.0592346	0.30
150.9886932	2.18
152.9659882	0.49
161.0051422	0.17
163.1565094	0.18
164.8905182	0.28
169.0466309	0.07
171.1832886	0.12
173.0721741	0.11
175.9966888	0.06
176.7963715	0.16
179.0534973	1.27
180.0028381	0.09
186.2386932	0.06
189.0572205	0.53
189.9269409	0.67
191.0401306	0.04
192.0896149	0.39
193.0966797	0.18
197.3929443	0.07
201.1594238	0.37
203.0724792	0.36
204.1910095	0.62
204.9608459	0.92
206.2008514	0.20
207.0722046	0.04
212.1710815	0.12
214.1057129	0.46
216.3476410	0.14
217.0996094	0.36
217.9706116	0.07
219.2517548	0.15
221.2111511	0.05
226.1834412	0.11
228.9523926	0.15
233.2576447	0.25
235.2127075	0.04
240.2291565	0.04
241.1981964	0.27
242.4798431	0.98
243.1655579	1.78
243.9169312	0.04
245.2230530	0.66
247.0209961	0.45
253.2969055	0.24
254.1664429	0.53
255.4637146	0.24
257.1494141	1.04
259.1632080	0.04
261.1890259	0.38
267.2588806	0.05
268.1733704	0.09
269.0681763	0.16
270.3902283	1.33
271.1567078	5.42
272.1442871	0.40
273.0369873	1.36
274.1322021	0.05
275.2167053	0.04
279.9260254	0.05
281.1327820	0.21
283.9505615	0.52
285.1697693	7.80
286.1697693	2.09
286.9518433	0.17
289.2057495	0.96
289.9902649	0.14
293.2976074	0.05
295.2006226	0.35
296.0613708	0.21
297.1381226	0.80
298.0531921	0.67
299.0966797	5.78
300.0686340	1.97
301.1303101	0.65
303.2189331	0.11
305.2307739	0.37
308.1917725	0.04
311.1945190	1.23
312.0527344	0.12
314.0692749	100.00
315.0959473	36.87
316.2318420	1.47
317.2477417	0.25
321.0402222	0.11
324.1488037	0.07
325.1928101	0.11
327.1050110	3.01
328.1605835	0.11
329.1963501	3.43
330.0082703	0.08
332.7761841	0.05
337.1044617	0.17
339.2607117	0.50
340.0873413	0.07
340.9764099	0.13
342.0791016	0.61
343.1708984	0.43
344.1267090	0.11
345.5365601	0.20
349.2589417	0.20
351.0341187	0.29
353.0650024	1.09
355.3328857	0.17
357.0897827	24.70
358.1689453	1.82
359.2235413	0.19
364.1537170	0.05
366.4621277	0.14
367.1766052	0.24
369.1464844	1.00
371.5726318	0.04
372.3170166	0.06
381.1531067	0.12
383.1843262	0.09
384.1964417	0.07
385.0883789	0.05
387.1437683	1.84
391.0827332	0.64
399.0619812	0.16
400.0324097	0.08
403.0124817	0.02
408.9264221	0.03
415.3350220	0.09
423.1448669	0.21
429.5851440	0.16
431.2880859	0.79
433.1387939	0.41
434.5687866	0.09
441.4059143	0.17
443.3599854	0.06
449.2731323	2.48
460.1520081	0.03
462.1487732	0.98
463.0545959	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	630.88
Annotation	Unknow
Peak:m/z	Relative Intensity
199.0468597	0.02
215.0732422	0.05
244.8249207	0.09
246.9274750	0.02
273.0482483	1.53
289.0469971	3.97
387.0014038	2.42
402.9724121	18.99
469.2227173	0.04
485.0456543	0.03
500.9320068	0.48
502.5194092	0.06
515.0394897	0.59
516.8135986	100.00
517.4437256	0.47
518.1894531	0.12
528.8248291	0.02
556.7949219	0.17
584.8276978	0.42
586.9972534	0.07
588.9881592	0.06
598.6531372	0.09
601.0187378	0.19
601.9293823	0.04
604.2385864	0.02
612.8723145	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	213.07
Annotation	Unknow
Peak:m/z	Relative Intensity
109.8652649	0.03
126.9053802	0.02
130.9955902	0.04
152.6475677	0.04
153.7876129	0.19
178.0685272	0.02
195.0752106	20.66
195.9843140	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1531
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
216.9970703	0.14
217.9750824	0.20
229.287735	0.21
246.0920715	0.32
253.1517181	0.27
254.8003235	0.14
267.3288574	0.11
270.6231079	0.08
273.311676	0.06
277.2108459	0.18
285.3821716	0.16
295.5384216	0.23
297.1799316	0.16
301.1876221	0.17
302.1844482	1.38
306.3667603	0.26
317.0750122	100.00
317.7284546	0.51
323.6626892	0.13
345.1361694	0.17
347.1670532	0.20
381.9417725	0.27
386.293335	0.28
391.1235352	0.42
436.4100342	0.12
445.005249	0.08
448.9819946	0.14
460.479248	0.18
463.2269897	0.70
479.1047974	0.14
483.4641113	0.08
495.4993896	0.21
504.9008789	0.31
525.3530884	0.36
539.7668457	0.12
541.552063	0.10
579.3701782	0.12
581.5772095	0.20
583.4104004	0.47
607.2106934	1.60
607.8110962	0.12
608.8502197	0.18
610.1748657	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2497
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
99.14328003	0.39
104.8004456	0.87
107.0613251	2.92
108.9911346	0.55
110.9104691	0.38
112.9993439	0.13
114.8975677	0.27
116.7825165	0.97
117.9413223	0.09
119.3583679	0.20
120.9682617	2.04
123.1264343	1.17
125.0404358	0.95
129.0255737	0.56
131.0567322	1.38
133.0808411	0.35
135.0291138	3.43
136.0249329	0.07
137.2124939	1.26
138.901825	0.20
141.1044769	0.74
143.0127563	5.98
144.9903717	1.77
147.10849	1.64
149.0720825	2.08
150.9292755	0.07
151.9145813	1.35
153.0855408	0.43
154.8786621	1.13
156.9666138	0.71
158.9885864	1.62
160.9981537	0.95
163.1754913	0.94
164.1246948	0.39
165.0003204	3.53
166.9345551	0.65
168.0139465	0.36
168.9076233	3.08
169.5195465	0.20
170.1882019	0.10
171.1660461	0.94
173.0120392	7.61
175.0984802	0.99
176.2675781	0.27
176.993103	0.71
179.0097656	0.21
179.8540497	0.18
183.2607727	1.91
184.9951935	0.78
187.1228943	3.34
189.0785522	0.66
191.1072693	0.41
193.2071686	0.23
194.8903809	0.13
197.2385101	1.20
201.1246948	0.72
202.3488464	0.33
203.0431824	0.74
204.8405457	0.65
207.9878082	0.19
209.2194824	0.41
209.862915	0.24
211.238678	2.27
213.0848999	0.95
215.1612854	1.31
217.2107239	0.64
219.2773132	1.27
219.9124756	0.13
221.1036072	0.16
222.9893494	1.41
225.1845398	0.46
226.0706482	0.10
228.0923157	3.89
229.0935364	5.20
230.0935059	0.21
231.0128784	0.64
233.130127	0.47
234.1535339	0.22
234.8174744	0.13
239.0348511	0.08
241.3741455	0.25
242.2737122	0.26
243.2251282	1.57
244.9992065	1.85
247.1403809	11.06
248.1800232	0.65
249.3681946	0.37
251.0831909	1.06
253.0742493	0.49
255.1082153	0.19
257.2818604	0.32
259.3185425	0.43
263.2988281	0.78
265.2617493	0.54
267.3351746	1.01
269.1287537	0.24
271.166687	0.41
273.3552856	0.07
277.3040161	0.72
281.0156555	1.10
283.2083435	0.50
285.2215576	0.57
287.1956177	0.62
287.8520813	0.09
295.2207336	4.25
296.8137817	1.18
299.2700195	3.62
300.1658325	0.15
303.539032	0.12
305.2618713	5.77
310.0499268	0.17
311.8130493	0.41
313.2043152	1.63
314.4808044	0.09
323.2450562	100.00
324.3339233	0.73
341.2766724	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2497
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
97.13238525	0.10
99.14369202	0.08
105.1770325	0.18
106.9947357	2.43
109.0376968	1.69
110.9661484	0.32
116.885582	0.43
118.9059296	0.14
121.0303192	4.07
122.8691788	0.39
125.1111908	0.44
127.2324448	0.06
128.9840393	0.75
130.9578552	0.63
132.9234619	1.23
135.0726929	8.24
136.9243469	0.55
140.8251648	0.16
142.9528503	2.18
144.0595551	0.13
145.0043945	0.44
147.0688782	0.36
149.1046753	2.93
151.0453491	1.42
152.1908875	0.13
152.9344177	0.23
155.0290222	0.60
156.9802551	3.58
157.984314	0.04
159.0360565	0.82
160.9667664	0.47
163.0753784	1.04
164.3916931	0.34
165.2188873	0.94
165.9795227	0.03
166.9387512	0.60
169.1188965	1.19
171.0927124	0.57
173.0522766	1.66
174.9589996	0.44
175.8827667	0.06
176.9749146	0.74
177.6071167	0.12
179.1587219	0.32
181.0575562	0.15
181.9309692	0.07
183.1249695	1.54
185.1218872	0.27
187.055542	3.70
189.0336761	0.44
191.128067	0.43
193.1819611	0.33
195.1194	0.18
197.1871948	0.74
199.0596313	0.33
201.0503845	1.54
203.1950378	0.19
205.0852051	1.06
207.0976257	0.03
208.7340393	0.17
209.3822327	0.12
211.0297852	0.49
213.0653992	0.05
215.2647705	1.06
217.1933289	0.61
219.2531433	0.26
220.1445312	0.09
221.260437	0.16
223.1593323	0.78
224.1239319	0.07
225.4047546	0.50
227.0783997	0.03
228.2013245	0.16
229.0733337	0.50
231.1879272	0.48
233.0257568	0.25
235.1308594	0.08
238.1282959	0.03
239.09198	0.15
241.1849976	0.12
243.4687805	0.16
245.2262268	1.04
247.2062988	12.10
248.2701721	0.14
251.1929626	0.52
253.9594116	0.08
255.216095	0.08
257.2268677	0.27
259.1843872	2.53
262.8077698	0.31
265.2386169	0.08
267.1985474	0.15
269.2409973	0.07
271.1617737	0.23
273.1617737	0.21
277.0926514	0.61
280.0138245	0.12
281.2835083	0.43
283.3161011	0.04
285.1734619	0.11
287.3384094	0.29
290.973999	0.05
292.3545837	0.13
295.2095947	1.07
297.1844788	0.67
299.2552185	5.45
300.5891113	0.10
305.308136	3.20
307.329895	0.09
313.336792	0.89
321.2636108	0.27
323.2360535	100.00
324.1183472	0.11
324.9326172	0.06
325.5357971	0.06
332.2108459	0.24
332.9061279	0.05
341.0329285	1.55
354.8138733	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.1584
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
188.1166992	0.08
196.867157	0.06
203.0964661	0.25
216.1584473	0.11
221.1607666	0.06
229.8208923	0.28
231.2253723	0.14
243.1757965	0.05
248.2984924	0.13
258.1467896	0.51
259.0787354	0.26
268.9481812	0.29
286.0571289	4.07
287.1866455	6.48
291.4834595	0.33
301.0761719	87.71
302.1178589	100.00
314.1750488	0.09
331.5092773	0.08
347.7130127	0.08
355.2563477	0.74
370.9066162	0.63
372.3266602	0.18
449.0581055	0.09
463.2487793	0.34
485.0859985	0.10
540.6386108	0.08
548.2457886	0.25
559.0615234	0.09
587.1331177	0.42
592.1864624	0.71
593.809082	1.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	502.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
143.3142853	0.04
143.9151001	0.48
145.0829468	0.04
148.9269867	0.96
150.0742950	0.91
151.2779541	0.14
160.0123444	0.16
161.9203796	11.66
162.9813232	6.23
166.8959656	0.16
179.0152588	4.67
179.9605103	2.06
194.9444275	3.03
196.0363464	3.08
221.3353424	0.14
224.0903625	0.05
226.6397705	0.05
233.1389465	0.05
239.4214172	0.35
245.2008362	0.09
246.1496582	0.07
265.1875000	0.32
270.2995300	0.47
271.2230530	0.66
272.9663086	0.20
280.3558350	0.09
281.1184387	0.17
289.8228455	0.11
291.2388000	0.09
308.1016846	0.81
309.3393555	0.61
324.6848450	0.31
326.9647217	0.06
341.2151489	0.44
353.3518066	0.07
355.7123413	0.43
356.5455322	2.60
357.3416748	0.15
371.0733643	0.08
373.1417542	30.36
374.1222534	100.00
374.9945374	1.19
395.8402405	0.07
415.2633972	0.14
423.3192444	0.09
427.3962097	1.31
428.2508850	8.83
435.6457825	0.29
436.4854431	0.08
448.6556702	0.11
457.1717834	0.16
458.1317444	0.14
468.5106812	0.17
485.2378845	1.29
486.1885681	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1143
Annotation	D-Galactofuranose
Peak:m/z	Relative Intensity
148.8669281	0.13
160.9866028	0.08
179.1699066	0.15
195.0964661	0.05
265.3456421	0.05
272.2464600	0.08
283.1029968	0.08
289.1444702	0.29
312.9106750	0.14
324.2182617	0.16
339.0425720	0.04
341.1440430	100.00
342.8596802	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
183.5145416	0.08
217.2129211	0.27
219.0077209	0.23
245.957428	0.11
247.2258606	0.20
256.9274597	0.80
257.9872742	0.30
269.150238	0.71
273.1835632	0.12
273.809021	0.09
275.1550293	0.24
302.1776733	3.85
303.117981	2.13
317.0725098	100.00
318.1569824	96.41
419.4641724	0.27
422.0265503	0.22
431.0264282	0.26
463.1524658	0.35
464.1650391	0.83
505.850647	0.14
523.3557739	0.28
527.3919067	0.22
558.9998779	0.51
590.1884155	0.20
608.6238403	0.58
609.3071899	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
78.8193665	7.59
96.9269257	100.00
109.1934433	0.08
145.4703979	0.05
178.8082581	0.04
233.1828918	0.08
258.7187500	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	447.1501
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
201.1510925	0.08
203.0956726	0.04
243.1443176	0.08
283.0492554	0.11
284.0986328	1.07
285.1326904	4.07
293.0644836	0.14
295.1268005	0.31
297.1600342	0.16
297.9566650	0.05
299.1508179	0.13
301.1547241	0.04
306.3476562	0.33
321.2307434	0.25
322.2108154	0.26
327.1188354	0.16
338.1439209	0.07
341.4718628	0.26
354.9656372	0.17
361.1560059	0.10
362.9324951	0.26
387.3593445	0.07
389.4434509	0.07
401.1642151	100.00
403.3207092	0.12
405.0963135	0.25
419.3085022	0.29
429.0559082	0.30
430.1261292	0.17
445.8782654	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0852
Annotation	4'-METHOXYFLAVONE
Peak:m/z	Relative Intensity
79.1038208	0.38
87.01773071	1.00
99.07475281	0.47
101.9316406	0.22
102.8822937	1.72
104.7040558	0.96
121.2532501	0.35
122.9526062	0.33
127.0583801	0.45
128.986496	14.88
130.9172821	1.05
142.9347687	0.38
150.9670258	86.52
152.006424	5.80
153.0840607	1.61
154.9722595	0.81
155.9958954	0.56
157.3544159	0.49
160.9645233	0.59
165.2033844	2.84
167.0862274	2.65
169.1215363	2.23
171.019455	0.83
178.0319672	2.20
182.442337	3.86
185.1466675	1.96
194.1809082	0.47
197.2867279	2.99
199.0885773	0.26
206.9039154	0.53
217.5766144	0.75
225.0400848	7.13
225.8941193	0.78
235.0531464	2.86
238.0612946	14.44
239.0716705	2.27
251.1200562	1.20
253.0889893	100.00
254.1238403	14.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
173.0311279	0.14
198.2105713	0.18
257.2814331	1.04
258.9766846	0.08
303.0584717	100.00
303.6704712	0.26
309.3614197	0.09
317.0845947	0.07
325.0283203	0.14
355.8910522	0.25
371.1721802	0.06
379.0324707	0.10
387.1065063	0.51
388.413208	0.29
405.6359863	0.31
429.322937	0.29
449.383728	0.19
453.1235352	0.14
480.1276245	0.23
481.1953735	0.18
490.1530762	0.47
492.4667969	0.32
502.9268799	0.32
521.8408203	0.26
537.5977173	0.30
549.4473267	0.45
551.085144	0.32
555.2509155	0.83
565.5930786	0.44
569.9689331	0.12
575.59552	0.13
593.5671997	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.07
Annotation	Gerfelin
Peak:m/z	Relative Intensity
94.8361053	0.05
96.9926453	0.35
99.0276260	0.02
108.9927750	0.76
113.0910797	0.03
120.7959290	0.06
122.8756256	0.59
125.0794067	2.38
125.9699249	0.04
126.8430862	0.02
132.9697723	0.06
135.0645752	0.44
135.9047546	0.04
136.9674988	2.30
138.4243317	0.09
139.1120911	0.12
140.0565186	0.04
145.1101074	0.35
147.0507202	0.02
149.0452423	0.24
151.0309448	0.95
155.1334686	0.07
159.0787506	0.88
161.0446625	1.63
162.1000519	0.22
163.0234985	0.18
163.9221497	0.67
165.0543213	3.02
166.9381714	1.18
172.9830322	0.09
174.0717773	0.03
175.0783386	0.56
177.0001526	0.02
179.0294189	10.70
180.1303101	0.13
186.0623169	0.63
187.0931396	0.83
188.1848145	0.93
189.3958740	0.06
197.1813965	0.05
201.0929565	0.70
201.9117737	0.45
203.1063843	9.75
205.0117798	32.65
206.1585388	0.03
209.1870422	0.15
211.1548157	0.05
212.1476746	0.02
212.9707947	0.05
215.1650696	0.03
217.2582092	0.86
221.1584167	0.18
225.2410278	0.10
227.1897888	1.85
229.0591431	0.14
231.0581665	6.05
233.1080017	0.07
243.1105652	0.31
245.0734253	100.00
247.1452026	7.20
253.1121216	0.49
256.1634521	0.02
260.9468384	0.04
261.9085999	0.10
271.2120056	6.49
272.9543457	0.07
273.8506470	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	532.8751
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0819397	0.21
175.0244751	1.52
215.1401062	0.03
229.1655121	0.07
244.9318695	0.34
273.1004639	1.15
275.2252808	0.08
288.9583130	14.17
289.9812622	0.05
305.0007935	5.23
386.9143677	0.90
388.0820312	0.24
402.8999023	6.89
403.5119019	0.05
418.9261475	100.00
428.0099487	0.06
458.9943848	0.35
471.2226562	0.02
486.3787842	0.33
487.1586304	0.59
489.9788818	0.03
505.0216675	0.24
505.8231812	0.55
515.1606445	0.05
523.8574829	0.10
540.7872314	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	500.9197
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9916992	3.36
199.0550232	0.08
228.3843842	0.03
229.0852356	0.39
272.9412537	51.07
370.9609070	0.37
384.9145508	0.19
386.9200745	100.00
387.9925232	0.13
411.1375122	0.07
426.9327698	0.04
455.2084351	0.08
457.8952637	0.18
473.3049622	0.08
482.9236450	0.15
491.1865845	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	495.1116
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
161.9985199	0.06
224.9514008	0.11
290.9403076	0.09
296.1671143	0.29
309.2652588	0.74
315.5271912	0.14
319.1055908	0.17
331.2716064	0.30
333.0614014	100.00
333.6873169	0.57
344.7612	0.18
357.2588196	0.14
373.3010559	0.15
375.1234741	0.57
392.9894104	0.14
398.9629211	0.22
417.2191772	0.28
422.7355652	0.12
429.3773804	0.17
431.1800232	0.15
436.7436523	0.21
438.5606995	0.26
441.1438293	0.45
451.1987915	0.14
451.9338074	0.10
453.967865	0.89
459.3059387	0.22
471.4501343	0.30
473.2624207	0.42
474.2293396	0.16
477.259552	2.53
479.7544556	0.26
481.3710327	0.17
486.7270203	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.75919342	0.10
103.0846863	0.21
104.9813766	0.21
107.0323334	1.30
109.0065002	1.67
111.0103149	0.32
113.0524216	0.05
117.1129837	0.06
119.1766815	0.33
120.964653	3.82
123.023407	0.85
124.8974457	0.34
129.1047974	0.23
131.0831451	0.22
133.0768127	0.52
135.0503845	4.25
137.0419312	0.54
138.8308105	0.08
143.0262299	1.67
143.9183044	0.13
144.9936981	0.09
146.9854431	2.67
149.0323792	2.35
151.1351013	0.69
153.2388306	0.21
154.918457	0.25
156.9990845	1.30
159.1123352	0.80
161.0997314	3.00
163.0317078	1.40
165.0578461	0.88
165.9009094	0.12
167.1443634	0.44
169.0145111	1.52
171.1681213	0.04
173.056488	1.08
174.9621582	1.13
177.179657	0.43
179.0922546	0.32
181.3906708	0.26
182.8425293	0.43
184.9257202	0.28
187.0776825	0.82
189.0214844	0.71
191.1415863	0.46
193.1423035	0.41
194.1910553	0.10
197.1205139	1.01
199.2109375	0.31
201.0148621	0.30
203.1149597	1.18
205.1690369	1.21
206.2180634	0.07
207.2244568	0.07
209.2081604	0.19
210.052124	0.14
211.0758057	1.46
213.2022095	0.27
214.92099	0.13
217.0713806	0.97
223.12854	0.28
225.3916626	0.24
227.0183411	0.27
228.1057739	0.08
229.0514526	0.44
230.90802	0.60
234.9470215	0.04
238.1633911	0.15
239.1646729	0.10
241.2512512	0.59
243.4411621	0.12
245.2158203	2.31
247.2138672	4.32
249.3677673	0.14
251.1755371	1.13
253.0315857	0.39
254.2005615	0.06
255.2794189	0.40
257.1141357	0.07
259.2614441	0.39
260.1765747	0.20
263.3613892	0.40
265.2652283	0.04
267.136261	0.09
269.0444336	0.28
271.2977905	0.81
272.1845398	0.07
277.3519897	0.23
278.9935303	0.21
281.4755859	0.18
283.0465698	0.57
285.2354126	0.45
287.4246216	0.72
291.6008911	0.16
294.197998	0.23
295.2502747	0.71
297.4019165	0.30
299.1871643	2.04
300.0535583	0.36
303.3561401	0.02
305.3500366	3.48
307.3865356	0.04
310.1123962	0.04
313.186676	0.52
316.8918457	0.14
323.2457275	100.00
323.8945923	0.82
324.5327759	0.11
332.0642395	0.12
341.2329407	1.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1528
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
188.9121094	0.06
190.8851318	0.20
223.2267151	0.13
230.8910675	0.25
245.0407562	0.17
246.0856171	0.14
247.2604218	0.06
274.0458374	0.44
285.0150146	0.07
294.9500122	0.10
302.0615234	4.42
315.9400635	0.02
317.0621948	100.00
317.7276611	0.54
318.492981	0.07
319.3297729	0.07
353.6558838	0.17
365.2235107	0.10
369.3596191	0.17
381.1055908	0.27
414.6237793	0.09
445.2332764	0.07
463.0050049	0.16
479.0551147	0.09
484.2028198	0.10
495.3601074	0.24
511.0776978	0.15
512.4692993	0.14
546.0187378	0.07
566.8121948	0.04
571.0999146	0.13
602.9760742	0.07
607.1893311	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	306.0764
Annotation	Glutathione
Peak:m/z	Relative Intensity
97.1053009	0.09
98.8988495	0.35
107.9772949	0.03
111.0050049	0.03
111.9948959	0.03
115.9410934	0.28
120.1339798	0.13
126.1721268	0.24
127.3344955	0.50
128.0117798	9.55
130.0945435	0.16
141.0286865	0.06
143.0373688	11.55
144.0838928	0.03
145.1600342	0.40
146.1434174	0.76
153.1267395	0.12
160.0265656	11.31
166.1704102	0.06
167.0693359	0.76
169.1171875	0.16
171.0905457	1.55
177.0295868	8.18
179.1017456	9.73
185.1305542	0.96
188.0904999	0.05
193.1607208	0.11
197.1058350	1.51
210.0914612	7.85
210.6944580	0.07
213.1344299	1.40
219.0965881	0.11
224.0108948	0.05
228.1843872	0.65
231.0111389	1.21
236.0098877	0.51
242.2181702	1.02
243.9440613	0.12
254.0696106	89.17
255.3246460	0.07
260.2391052	0.26
261.9461670	0.22
264.1559448	0.04
270.2218628	0.06
272.0969849	100.00
288.1242371	65.10
288.9249878	0.05
297.5933838	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	294.15
Annotation	Gln Phe
Peak:m/z	Relative Intensity
86.18966675	0.04
100.0165329	0.02
100.8367767	0.03
101.7563019	0.05
106.076416	0.04
113.9178925	0.08
115.0892105	0.01
116.9800491	0.02
127.0225296	0.05
129.8261261	0.05
131.0563202	0.16
132.111969	0.07
145.5731659	0.05
146.1781921	0.07
155.2020874	0.04
162.7333832	0.02
164.2232208	0.05
168.3081512	0.02
169.7848663	0.04
174.0626373	0.09
174.8945465	0.05
180.1164856	0.02
186.0441284	0.02
190.3973236	0.11
195.0791016	0.03
198.9435425	0.09
199.8654175	0.01
204.2921753	0.17
210.2940674	0.03
212.2378845	0.06
216.1893311	0.01
223.0767212	0.14
224.1029968	0.03
228.0684509	0.15
231.0332336	0.02
234.0029602	0.13
238.1649475	0.07
239.8197632	0.08
248.2070923	0.94
249.151062	1.63
250.2125854	0.06
253.0571289	0.22
258.0559082	1.04
265.6369019	0.13
271.1013794	0.13
276.138916	100.00
277.0463257	0.02
286.2366943	0.11
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
76.79438782	0.78
80.98621368	1.01
84.94625854	0.49
88.7976532	0.73
93.27984619	0.12
95.02323914	5.22
97.10575867	1.04
99.06080627	0.64
100.9186096	0.15
102.8910675	1.10
104.9821777	1.53
107.0629578	0.88
109.1332703	1.36
111.1524353	0.19
114.9357452	0.75
118.9941101	0.16
120.9089355	0.81
123.1334076	2.72
125.0602875	0.97
125.9673615	0.22
127.0324402	2.69
127.9069061	0.36
129.0037537	6.00
129.9052124	0.92
133.0406342	1.25
135.0072021	3.27
136.9317627	0.68
139.1010284	1.60
141.0678558	3.16
143.1678925	1.35
146.0868073	0.34
147.0814362	0.62
148.9270782	0.66
150.9881439	69.87
151.9849854	4.35
153.0102234	1.18
155.048233	1.90
157.0978394	0.95
158.9785919	1.04
161.0182343	2.07
163.0199738	1.15
165.0332336	2.12
167.2271423	2.10
168.050766	0.48
169.0136871	2.00
171.1366272	0.50
175.0027466	1.63
176.0977173	0.36
177.1087036	0.17
178.0078278	0.26
179.0053406	3.73
181.1655121	1.39
182.1305542	1.39
182.9398193	0.97
184.1971436	0.43
184.9671631	0.72
189.0491791	0.73
189.9547577	0.61
191.0224762	0.88
192.2616425	0.27
193.1841278	2.11
195.1559601	3.43
196.5157776	0.85
197.1424713	4.60
197.9066315	0.47
199.2648163	1.59
206.9976654	2.77
209.2086639	1.53
210.1074371	1.15
211.1359558	1.70
212.0427094	1.77
217.1960144	14.78
220.3086395	0.16
225.1729584	11.42
226.0601959	0.48
233.1878204	0.15
235.02771	44.08
238.1042328	16.43
238.9452515	2.44
244.1277466	1.15
250.7662354	0.26
253.0886078	100.00
254.1374664	16.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	153.1018
Annotation	2-Methoxy-(3 or 5 or 6)-isopropylpyrazine
Peak:m/z	Relative Intensity
68.9418793	0.25
70.0435791	0.75
83.8965149	100.00
96.9651032	0.67
108.0617065	0.30
108.8108521	0.65
109.9532166	0.27
112.0871124	0.87
135.2349854	1.61
136.0306244	2.24
137.8924866	0.67
153.0166473	14.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1521
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
189.1343384	0.05
190.1485748	0.06
191.0776062	0.02
197.1938324	0.03
203.0646057	0.08
209.2727051	0.02
217.3301086	0.03
228.3397827	0.06
236.127655	0.06
245.3238068	0.11
245.9623413	0.10
254.7278595	0.05
257.126709	0.11
261.1838379	0.07
271.2889099	0.02
274.0216675	0.72
279.4290771	0.07
284.0440674	0.04
285.4187317	0.02
286.9759216	0.04
289.286499	0.02
299.0259399	0.08
301.1055908	0.16
302.1400146	3.42
317.0608521	100.00
317.7165527	0.27
373.5101929	0.02
411.3180542	0.09
463.1570435	0.60
467.111084	0.02
470.2518311	0.05
477.4805298	0.05
479.4247437	0.03
509.4730835	0.03
565.3997192	0.02
569.1088867	0.10
593.2904663	0.04
598.3389282	0.16
607.0025024	0.11
608.2556763	0.01
625.5856323	0.05
628.2857056	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2496
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.89535522	0.09
100.7199783	0.04
102.9362183	0.05
105.2054443	0.05
106.9917984	1.78
108.9189758	2.46
110.9743042	0.40
116.9459991	0.52
120.9487534	2.84
123.1035156	0.89
125.0085831	0.03
127.1534119	0.08
130.8770599	0.54
132.9654236	0.54
135.0146484	2.88
137.0906677	0.59
138.8394623	0.27
142.949707	0.67
145.1412048	0.22
146.9434814	2.66
149.0357208	1.59
150.2035217	0.14
151.1209717	0.86
151.9180908	0.02
155.0662994	0.18
157.0688782	1.21
158.4949036	0.18
159.1458282	0.58
161.0203705	2.59
163.1055908	1.24
165.211792	0.19
168.1106567	0.12
169.1017456	0.69
170.979248	0.63
172.9925232	0.63
174.9955292	1.58
177.0810852	0.69
179.086731	0.05
180.7737274	0.10
182.9723053	0.62
185.1651917	0.18
187.0324097	1.42
189.0898438	1.06
191.1627502	0.65
192.9929962	0.23
195.1767426	0.31
197.0708313	0.43
199.0873108	0.20
201.1778259	0.34
202.9438477	1.07
205.1957397	0.66
209.3059082	0.11
211.0186768	0.47
213.06427	0.17
215.0628052	0.18
217.2468262	1.33
221.0692444	0.10
223.0372314	0.46
227.2526855	0.07
227.9994202	0.18
229.1385498	0.63
231.0948792	1.01
234.9449768	0.03
238.9895935	0.36
239.5969849	0.03
241.2940063	0.60
243.1353149	0.18
245.2391357	1.27
247.2114258	5.67
248.2528992	0.03
250.7965393	0.34
251.4736328	0.08
252.5617371	0.07
253.3323059	0.12
255.1369324	0.16
257.3242188	0.35
259.1674194	0.25
263.1548157	0.13
265.0106812	0.02
267.276062	0.16
269.1195068	0.12
271.3982544	0.45
273.3876343	0.02
277.307373	0.19
278.1102905	0.21
279.2825012	0.08
280.3591614	0.05
282.2861633	0.02
283.3595886	0.32
285.3025208	0.51
287.3454895	0.13
289.5333557	0.13
295.2662964	0.57
297.3424988	0.42
299.2844238	1.69
301.0231934	0.10
305.3006592	2.37
311.3969727	0.08
313.0371704	0.68
314.2745361	0.14
323.2353516	100.00
324.1568909	0.43
325.3566284	0.18
332.4463501	0.21
341.1115417	1.18
342.7342834	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	655.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
187.3024292	0.21
189.0716705	0.12
191.9205780	0.20
192.9773254	1.28
197.1506195	0.10
198.0074615	0.09
199.1511536	0.26
203.0811768	0.24
204.3672791	0.09
205.1587067	0.08
215.0987396	0.09
217.0585480	0.03
219.3890381	0.05
223.4702454	0.06
225.0782471	0.07
226.0667419	0.11
227.0840454	0.27
227.9602051	0.17
230.9595337	0.10
235.1441345	0.70
238.1023254	0.17
239.2239990	0.11
240.0541229	0.07
243.7365112	0.19
245.0016174	0.13
246.1324768	0.34
247.0953369	0.10
253.1571960	0.15
255.1328125	0.83
257.0783386	0.12
259.3350830	0.31
260.1309204	0.20
261.1048584	2.20
263.2754517	0.10
265.1691284	2.90
267.1455078	0.08
268.3762207	0.10
269.2476196	0.09
270.0493164	0.17
271.0628967	1.49
272.2479858	0.09
273.1329956	0.54
275.0386658	0.03
277.2809753	0.03
280.8817139	0.08
282.1218872	0.36
283.1834106	0.17
284.2537842	0.06
285.2060547	0.11
286.3301392	0.03
287.5443726	0.30
288.2658997	0.37
297.1907959	0.22
299.1516113	8.39
303.1286621	7.60
303.9271545	0.03
307.1380615	5.38
311.4041748	0.60
313.2156982	1.73
314.1684570	15.98
315.0209351	0.06
317.3483887	0.08
319.2074890	0.16
325.1790771	0.66
327.8096924	0.09
329.1158447	100.00
331.2380981	0.10
333.2830811	0.07
339.0341187	0.31
342.1532593	0.17
343.3475342	0.19
345.2142944	0.56
346.0841675	1.33
347.1828613	12.68
349.2404175	0.21
355.1625977	2.15
359.2111816	0.06
361.3650513	0.08
369.2051392	0.07
371.4287720	0.21
375.1867065	0.11
377.2969971	0.05
379.3552246	0.07
383.3880615	0.17
385.2945557	0.20
389.2670288	1.01
391.3152466	0.05
400.2055054	0.03
415.2793579	0.29
417.3034058	0.03
419.3073730	0.31
423.3054199	0.19
425.3495483	0.30
431.2716675	0.58
434.3754883	0.05
445.1511841	0.35
447.3476562	0.42
449.2522583	0.50
455.7612305	0.11
457.2192993	0.36
464.7158813	0.17
465.4709473	0.11
467.4396973	0.07
473.2039795	0.38
475.1782227	48.93
487.2007446	0.10
491.2028809	0.38
493.8194580	0.10
501.1926880	33.22
505.3365479	0.77
509.1325684	13.46
515.5601807	0.13
516.9799805	0.20
519.3677979	0.55
527.2185669	0.10
529.4103394	0.29
544.9678345	0.25
545.7495728	0.05
551.0603027	0.08
567.3684082	0.03
569.4650269	0.14
571.5179443	0.05
573.5820312	0.49
579.0966187	0.13
580.9763794	0.06
587.2444458	0.06
592.5568848	0.52
593.2883911	0.15
599.3466187	0.10
605.4525757	0.32
606.7968140	0.05
609.0554199	0.98
611.2866821	1.24
637.3051147	3.21
640.0239868	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	653.1509
Annotation	3-Demethylchartreusin
Peak:m/z	Relative Intensity
188.9915009	0.08
191.6409607	0.24
193.0553131	2.06
198.1721497	0.08
201.7544861	0.17
203.1424255	0.02
204.8023987	0.21
207.1809082	0.18
213.0601501	0.10
215.0013733	0.34
216.7996674	0.06
218.1752014	0.14
219.2087860	0.12
225.8882446	0.04
227.1113586	0.25
228.9397278	0.62
230.9731750	0.10
232.8289948	0.07
235.0895538	1.13
236.9466248	0.03
240.1368866	0.12
243.3180084	0.50
244.2122498	0.15
246.2902832	0.27
247.1198120	0.17
248.4218903	0.11
249.0467834	0.05
252.0028992	0.13
255.1322327	0.18
257.1225891	0.24
258.0629578	0.10
259.1453247	0.48
260.5077820	0.50
261.2772827	2.11
263.1239319	0.24
265.1299438	2.19
267.2174072	0.03
268.0401611	0.17
270.2015991	0.32
271.1485901	1.73
271.9209900	0.20
273.1165161	0.61
275.1535950	0.24
279.2494812	0.05
281.1523438	0.09
282.0960693	0.10
284.2553711	0.05
285.2352600	0.43
287.1513672	0.37
288.1259155	0.87
289.1688538	0.03
295.0612793	0.09
297.0379333	0.35
299.0814209	8.04
301.1353149	0.57
303.2056274	7.36
305.2694397	0.08
307.0910034	5.04
307.6932373	0.12
311.0623169	0.28
312.1762085	0.07
313.0383606	1.49
314.1896973	17.02
315.3127136	0.13
319.2369385	0.40
325.2219849	0.35
326.9677429	0.25
329.1160583	100.00
331.6157532	0.09
335.2539062	0.05
339.5210266	0.11
341.3327637	0.04
343.3161621	0.06
345.2052612	0.79
346.1378784	1.40
347.1137695	16.67
355.1895752	3.13
359.1038818	0.13
371.2015381	0.77
377.6047363	0.10
381.0863647	0.03
383.3624268	0.08
385.3978271	0.14
389.1240234	0.45
401.4561157	0.19
406.9954224	0.17
408.9590454	0.06
413.1878662	0.21
415.0150146	0.10
419.0972290	0.07
423.3464355	0.14
431.2706909	0.76
433.6134644	0.07
444.9171143	0.11
447.1771240	0.14
449.2802734	0.79
455.2314453	0.04
457.1915894	0.17
462.1837769	0.08
465.1820068	0.59
473.2339478	0.20
475.1777344	47.89
487.2794189	0.07
491.2902832	0.55
492.5315552	0.14
501.1547852	36.44
505.3138428	1.67
509.1668091	15.75
517.3378296	0.16
519.2408447	0.73
529.2164917	0.07
536.2283325	0.26
537.2482300	0.10
545.2067871	0.12
552.0962524	0.06
555.5093994	0.13
563.1711426	0.11
565.3143921	0.04
567.3969727	0.21
569.2651978	0.18
570.8148804	0.09
590.8208008	0.07
594.8851318	0.26
599.8726196	0.12
607.8521118	0.04
609.2921143	0.81
611.2040405	1.65
613.5274048	0.19
623.1625366	0.04
624.1401367	0.06
627.3023071	0.04
637.1967163	3.05
640.0379639	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	362.1433
Annotation	De-O-methylsimmondsin
Peak:m/z	Relative Intensity
116.9932404	0.13
118.9737701	0.29
122.9607315	0.18
132.0888062	0.39
136.0885468	3.41
136.8000641	0.14
144.8252411	0.13
146.0214386	0.07
146.9325409	1.26
148.0056763	0.89
164.9959869	9.81
168.7980499	0.44
179.8562927	0.05
182.0506897	100.00
186.9758759	0.45
190.0778198	0.28
203.0049438	0.16
204.6289978	0.24
210.3187256	0.33
210.9559937	0.32
212.9022827	0.09
214.8123474	1.31
217.9125977	0.12
227.0635071	0.11
227.9801636	0.31
228.8560486	0.10
242.1526489	0.11
247.1434326	0.31
249.0169067	0.56
254.2838440	0.26
255.1405945	0.34
261.3169861	0.18
272.0298767	0.18
273.1511230	0.29
281.1113892	0.81
282.2716370	0.38
291.2420654	0.23
295.1162109	0.40
304.2060852	0.27
315.2296143	0.26
316.1620789	2.05
317.7203064	0.13
318.3560181	0.10
331.2809753	0.15
331.8902588	0.16
334.4973755	0.37
343.6293640	0.33
344.2874756	0.85
345.1305847	0.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
245.04776	0.23
246.8851471	0.63
262.8953552	0.23
284.2434998	0.22
287.2877502	0.20
303.0516052	100.00
304.4331055	0.30
351.3983765	0.39
386.1181641	0.13
395.2305298	0.44
410.9111328	0.30
437.229248	0.70
443.2492065	0.39
446.8987427	0.48
457.5206909	0.37
469.2055664	0.26
481.1899414	0.15
521.3196411	0.22
565.7243042	0.13
567.1304321	0.40
575.9983521	0.44
579.1311646	0.41
592.4981079	0.40
595.7229614	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
111.2519531	0.23
118.9190826	0.49
127.3953018	0.20
131.0761261	0.38
155.1184082	0.16
157.1688232	0.84
165.0233612	0.10
169.0204468	0.22
171.0684967	0.71
173.0236816	0.48
174.9956207	0.34
177.1433105	0.31
185.1393433	2.56
187.1469116	2.52
188.4659119	0.18
199.0531006	2.30
201.1930695	1.37
203.1035767	0.53
213.171051	2.50
215.1596069	6.34
217.067688	1.95
223.2917786	0.29
225.4497986	0.16
226.8596802	0.43
227.5924683	0.37
229.254303	3.55
231.1294861	1.62
241.3225403	1.21
243.0717163	2.57
245.243042	1.20
251.6364441	0.19
255.1611023	0.97
257.2416687	2.06
259.1933899	1.03
261.1771851	0.20
263.2872925	1.77
265.4717407	0.25
267.2857971	1.00
269.074646	2.69
271.1927185	2.31
273.2380371	2.07
277.2365112	0.31
283.2778931	0.88
283.9076233	0.54
285.2836304	3.45
287.2341919	1.17
289.0922241	0.35
293.1009216	0.47
295.2511292	0.88
297.3699951	3.52
299.2922668	4.63
301.254303	2.26
311.1430664	1.50
313.2277832	3.29
315.2512207	1.08
321.3552246	1.93
323.3154602	13.40
329.324707	0.53
339.2522583	100.00
339.9963379	0.77
341.2185669	24.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	423.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
128.0869598	0.07
181.2221069	0.03
183.0827332	0.19
185.0466919	0.02
187.2211304	0.58
199.1735840	0.53
201.1910553	0.73
216.8777008	0.04
223.3847046	0.03
229.4402618	0.04
243.1376343	1.42
243.7630615	0.01
257.2107239	0.07
261.1542358	100.00
262.0126038	0.03
267.3253174	0.25
273.3837280	0.07
275.2726135	0.09
285.4654846	0.19
289.1885376	0.03
297.0761414	0.07
302.2626648	0.05
303.2380981	1.84
308.9453735	0.09
315.1107178	0.17
319.0763550	0.07
327.3786011	0.06
329.5838623	0.09
333.2306519	1.00
335.1424255	0.10
337.1018372	0.05
345.1652222	0.03
351.1713562	0.17
355.1983643	0.12
363.2851562	4.60
377.2441711	0.14
379.9989624	0.22
387.1964111	0.38
393.7282104	0.10
405.2337036	1.59
405.8572693	0.09
407.0897827	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.2245
Annotation	Citbismine C
Peak:m/z	Relative Intensity
221.0777740	0.12
281.0920105	0.02
322.9762573	0.05
339.3048706	0.21
341.1082153	100.00
442.9702759	0.06
502.7229004	0.13
521.3530884	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	362.1223
Annotation	Bezafibrate
Peak:m/z	Relative Intensity
118.1071091	0.09
122.9286423	0.02
126.7163544	0.04
137.1124573	0.14
151.1036072	0.06
164.665741	0.02
169.726532	0.03
182.0716858	0.05
191.1976318	0.07
214.0201111	0.04
216.8363342	0.02
231.1513367	0.15
234.274292	0.06
235.4838257	0.07
237.1060181	0.03
240.1447144	0.10
241.089325	0.15
243.9792786	0.09
244.9952698	0.07
245.8504944	0.05
247.9998169	0.10
253.0708923	29.56
254.0542297	0.07
255.1026001	0.20
265.111084	0.14
268.7664185	0.04
270.0878906	3.30
270.8962402	1.01
271.7619629	0.09
273.1970215	0.53
278.0023193	0.06
279.9207764	0.14
281.0518799	7.34
284.9367981	0.10
287.8996582	0.05
291.646759	0.07
296.8649292	0.03
298.2110901	9.73
299.0004272	24.34
299.7068176	0.32
300.4662476	0.20
302.5097046	0.02
303.3388062	0.02
305.3033447	0.09
308.3610229	0.10
309.2168274	0.08
316.1034546	100.00
317.1720581	0.22
318.3373413	0.05
319.0593872	0.15
321.0071106	0.17
326.1072388	2.75
327.1478577	0.80
328.1080322	0.17
331.1988831	0.06
338.5466919	0.03
344.0517578	24.17
345.0497742	13.46
346.9482117	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
88.98893738	0.16
94.06381226	0.15
96.95748901	0.16
115.3035583	0.25
118.1347961	0.14
119.0756683	0.09
124.813858	0.15
133.0684204	0.24
137.1181335	0.47
146.7683105	0.07
149.0925446	0.21
153.0798798	0.12
155.1299896	0.32
165.071701	0.08
169.0243378	0.73
172.9577179	0.09
174.1058502	0.14
177.0805969	0.46
179.266922	0.25
180.1539917	0.06
181.2588348	0.27
182.129364	0.26
182.9378662	0.11
189.0796356	0.08
191.0934143	0.66
194.1504974	0.17
204.9819183	0.27
206.0497589	0.92
207.0947723	6.05
208.034729	1.98
209.1635437	0.94
214.66008	0.16
220.9300995	0.55
222.0959015	1.41
223.1584473	2.05
224.1873627	0.66
233.1106567	1.27
235.0595245	0.08
247.028183	0.14
251.0759277	100.00
252.0838013	15.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1527
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
229.0681458	0.07
245.3286743	0.48
256.1586304	0.08
269.0274048	0.09
273.8844604	0.34
279.1810303	0.12
302.2519226	2.21
312.9261169	0.15
317.0721436	100.00
317.6766968	0.31
318.2995605	0.30
353.2026978	0.07
407.5288696	0.12
430.7243652	0.12
436.225708	0.10
463.3936768	0.34
503.9378052	0.39
509.3723755	0.23
545.296936	0.07
548.4934692	0.10
581.2920532	0.44
591.168457	0.08
604.3696289	0.11
607.3366089	1.43
608.8325195	0.17
610.6600952	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	607.1456
Annotation	Luteolin 3'-methyl ether 7-(3''-E-p-coumarylglucoside)
Peak:m/z	Relative Intensity
170.2854004	0.02
174.9256134	0.06
179.9591217	0.02
182.1663818	0.04
183.1632843	0.05
183.9034576	0.03
186.1900177	0.02
187.0600281	0.05
188.0436401	0.01
189.1336823	0.01
195.0378723	0.10
196.0713806	0.03
198.03125	0.05
199.1239624	0.01
200.1313782	0.06
200.9159851	0.03
205.1012421	0.02
210.3608398	0.14
211.0545044	0.47
212.1585083	0.48
213.1494751	0.10
214.0584564	0.17
215.168045	0.02
216.114212	0.04
217.124054	0.08
218.0297699	0.02
222.9231567	0.64
223.9831696	0.07
225.0449066	0.03
227.0513	0.21
228.0367126	0.28
229.1581573	0.04
231.2769165	0.18
233.4156494	0.04
235.032196	0.11
238.041153	0.05
239.0899353	2.26
240.0244141	5.40
242.084137	0.67
242.8123627	0.05
254.1009827	0.52
255.0729218	4.21
256.0427856	1.64
257.1788025	0.78
259.1717224	0.08
265.3362122	0.01
266.1469727	0.07
267.0023804	0.20
268.1231689	0.67
270.2667847	0.05
271.0838013	0.54
274.9016113	0.02
281.2113342	0.14
283.1003418	6.73
284.0305176	10.60
285.2453003	0.12
286.1166687	0.04
287.3551025	0.02
288.8824158	0.03
294.1942749	0.02
297.1158447	0.07
299.0576782	100.00
300.1865234	0.06
301.13797	0.40
303.3244019	0.02
305.0370483	0.31
306.1838989	0.04
307.1524963	0.43
307.9950562	0.04
309.0621948	0.06
311.0783081	0.28
313.1751709	0.85
323.0044556	0.05
325.1324158	0.01
327.2685547	0.02
341.1871948	1.06
343.2647095	0.04
353.1715088	0.45
367.038269	0.03
369.0995483	0.02
371.114502	0.10
381.053833	0.02
383.0717773	0.01
400.2509155	0.06
423.3082275	0.03
424.9766846	0.02
440.9850464	0.07
443.2098389	0.13
444.9785767	0.12
454.9932861	0.02
457.4078369	0.05
461.2094116	2.02
465.1416626	0.04
470.3561401	0.05
481.3823853	0.02
483.2492065	0.03
501.3312988	0.01
539.2283325	0.64
547.5393066	0.02
564.3959351	0.01
571.1499634	0.13
575.0460815	0.02
578.6797485	0.09
579.3428955	0.07
588.9995728	0.18
592.4019165	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	623.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
179.1118927	8.57
267.0142822	0.28
293.0515137	0.17
299.3006592	0.03
310.9769897	100.00
311.5837097	0.09
442.7901001	0.51
460.9922485	0.36
473.1531982	0.25
490.8762817	0.21
604.7174683	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	385.13
Annotation	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside
Peak:m/z	Relative Intensity
137.1433868	0.01
158.7105865	0.02
173.2973022	0.01
186.2456970	0.01
205.2013397	0.04
207.1712952	0.01
213.4985962	0.02
223.2394714	0.01
255.1278687	0.01
269.3745117	0.02
274.3052368	0.01
281.0101929	0.02
285.1609497	0.01
295.0432739	0.10
309.4441833	0.03
312.2726440	0.03
323.1076050	0.07
324.2821655	0.02
325.1452942	0.01
337.3253784	0.04
339.1214600	100.00
341.3043213	0.03
366.1652832	0.01
367.1259460	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	476.2044
Annotation	OA-6129 D
Peak:m/z	Relative Intensity
144.0298309	1.17
146.1619263	0.09
147.1533051	0.06
154.9298401	0.06
161.9223633	15.58
168.9951019	0.38
169.8088226	0.11
179.0012512	7.19
181.0980225	0.06
199.0033569	0.03
209.1270752	0.11
216.0333557	0.04
222.9773254	0.10
226.3895569	0.06
227.1650696	0.17
244.1026306	4.18
245.1333923	0.24
254.1069946	0.15
272.2195740	0.09
284.0229492	0.04
287.9272156	0.06
290.1774597	0.06
296.2525635	0.07
298.0397034	0.13
308.2185669	0.94
328.3882141	0.11
329.6113281	1.64
347.1217346	100.00
347.7506714	0.17
371.1558533	0.10
372.8194580	0.11
383.0628357	0.18
387.4166260	0.10
395.6136780	0.06
398.1588745	0.08
400.6535950	0.56
401.2573547	7.24
402.6812744	0.04
403.9736328	0.19
410.0657043	0.09
423.3243103	0.09
430.2206421	0.04
451.3136902	0.02
458.3106079	2.02
459.2729187	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
81.11103821	0.12
86.9927597	0.28
90.91520691	0.07
96.97033691	0.14
98.94503784	0.21
105.0700378	0.40
111.045517	0.16
118.9038086	0.19
120.9536285	0.23
122.9300385	0.11
125.1231384	0.14
130.9396362	0.10
137.274704	0.44
148.9992828	0.20
150.006424	0.12
151.1732788	0.07
152.1674347	0.25
153.1165009	0.34
155.0917358	0.14
156.9786224	0.13
161.2214661	0.39
165.169342	0.19
167.3925934	0.16
177.1988983	0.13
179.0537109	0.78
180.2032623	0.24
181.149292	0.34
187.0086823	0.74
188.9934082	0.58
190.1231232	0.36
192.8667755	0.78
195.2106934	0.83
197.3130035	0.21
205.190094	0.07
207.1537933	5.76
207.9603119	2.12
209.1280212	1.53
221.3843842	0.19
222.1459503	3.16
223.129715	5.71
224.2504425	1.59
233.0332642	2.55
249.9373169	0.07
251.0725555	100.00
252.171402	22.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.09
Annotation	6-Methylflavonol
Peak:m/z	Relative Intensity
79.0488739	0.14
81.0832901	4.61
82.7767334	1.98
84.92612457	2.63
90.95373535	1.66
93.09589386	0.99
94.89233398	5.50
97.02456665	0.83
99.01945496	1.38
100.9689789	0.19
102.9937439	0.63
105.0520325	0.97
106.8595428	1.37
108.871048	1.88
111.0244446	1.52
112.9151764	0.99
119.0192871	0.83
121.1502533	2.63
122.9544067	2.42
124.9709473	0.86
127.0133667	1.29
128.8784332	7.28
129.7512207	0.87
130.9973602	0.72
133.1122131	0.76
135.0609741	2.05
136.8181152	1.87
139.269516	0.80
141.0753174	3.46
144.1014252	0.19
144.9790344	0.61
146.9881134	1.62
147.603775	0.18
149.0644073	1.17
150.989212	59.99
151.981308	4.84
153.296875	0.46
154.2975006	1.53
155.074295	4.51
157.0285187	0.32
159.1543427	2.71
161.1698761	2.04
163.2110291	1.22
164.7555847	0.92
166.3795624	0.65
167.0068665	0.30
169.1561584	2.78
171.2057037	3.27
175.134079	1.75
177.1788483	0.53
179.1729279	1.88
180.9639435	0.30
183.230423	1.51
185.1874847	3.73
185.99617	0.47
189.0176849	1.10
190.1948853	0.58
190.9218903	0.87
192.1717682	1.75
193.1060333	3.01
194.0107574	0.86
195.0788727	4.27
197.1224213	8.45
207.1813812	6.13
211.1325836	6.09
217.238266	16.24
221.1407013	0.95
222.2996979	0.16
223.1118622	0.80
225.1645966	14.04
226.1279297	1.54
232.6121979	0.99
235.1944733	36.16
238.0728302	18.26
239.0940399	1.05
244.3694305	5.71
253.0771637	100.00
254.1695709	21.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1534
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
193.7993469	0.20
202.9989624	0.21
205.2341003	0.15
212.9041138	0.19
217.1067505	0.15
220.2357178	0.21
229.0761719	0.20
245.1229706	0.39
269.1546936	0.04
274.1945801	0.93
285.0304565	0.15
289.0751343	0.39
299.1792603	0.10
302.088501	3.59
315.9551392	0.05
317.0649109	100.00
317.6729126	0.28
365.3151245	0.09
383.156311	0.18
407.239624	0.24
439.3914185	0.05
444.9978027	0.24
449.5634155	0.12
452.6767578	0.06
463.1300049	0.51
469.2167969	0.43
472.1088867	0.19
477.4596558	0.32
482.2966309	0.84
487.6634521	0.13
490.2755127	0.06
534.2254028	0.27
537.411377	0.17
558.0797729	0.18
563.5731812	0.14
568.5566406	0.17
588.3636475	0.69
606.5387573	0.76
607.5532227	0.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.16
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
177.0151978	0.51
183.9588165	0.31
193.0410614	0.18
217.1269836	0.34
229.9908447	0.17
241.0553284	0.63
257.3161621	0.35
258.1206665	0.14
268.0015259	0.52
273.2566528	0.51
277.1669617	0.19
283.1587524	0.39
284.9040222	0.09
286.1032715	8.03
300.0641479	0.13
301.0612793	100.00
302.1316528	0.60
313.0268555	0.30
319.2911682	0.65
323.3390808	0.40
337.5509644	0.17
343.0315552	0.46
355.3419189	0.28
402.2153931	0.15
429.3065186	0.35
437.2814941	0.33
446.2734985	0.70
454.5488892	1.02
466.9190674	0.33
480.6655884	0.11
483.0819092	0.90
500.8238525	0.16
521.4768066	0.15
541.6591187	0.13
553.2056274	1.09
573.2789917	0.29
579.3301392	0.87
590.9838257	1.01
592.4998169	0.15
595.7015991	0.16
609.3709717	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0855
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
76.96232605	0.82
81.05450439	2.50
82.95292664	3.40
85.05512238	0.47
91.05307007	2.42
92.89161682	1.50
94.90396118	8.12
96.91500854	0.73
99.05032349	0.53
102.8274231	0.91
104.9085083	1.18
106.8799591	0.92
108.9043732	6.27
111.0157318	0.87
112.9794159	1.31
114.816925	1.40
119.0143433	2.27
120.9673004	2.12
122.9775696	4.14
125.030304	2.91
126.918335	4.08
127.8029633	0.39
128.9107666	6.31
129.8902893	4.26
132.9668732	2.21
134.9927826	5.56
135.8730011	0.59
136.970459	1.19
139.0694427	0.69
140.8761749	3.15
145.1397705	0.73
146.884201	4.46
150.9548798	67.70
151.9528656	4.62
153.006958	0.24
154.242157	0.69
155.0477905	2.56
157.1400299	1.61
159.197403	0.67
161.1103973	2.08
165.2872467	0.52
167.0189972	2.15
169.1181183	3.90
171.1814117	0.67
173.1477814	0.78
175.2186279	2.01
177.0299377	4.14
178.5650024	1.38
179.1891937	4.24
181.9942474	0.55
183.0694885	3.43
185.0104828	3.21
189.0625305	3.76
191.1079865	0.97
192.6782684	1.17
193.3212738	2.96
195.0928497	2.72
197.146286	9.69
198.2694702	0.78
199.0490112	0.35
205.1369476	0.30
207.029953	4.64
208.4201813	1.18
209.2232513	1.52
210.4845886	0.72
211.1985474	6.84
214.1721954	0.89
217.1091461	18.93
223.0371704	1.63
225.196167	6.91
226.4722748	1.06
235.1806793	57.33
236.246521	2.43
238.1405792	7.77
238.9255371	2.88
251.3812714	0.84
253.0894775	100.00
254.2049561	18.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
97.17566681	0.02
98.8006134	0.05
103.2001648	0.10
104.9480057	0.11
107.0926285	1.08
109.067215	1.77
110.8939896	0.09
116.975647	0.24
118.9697495	0.07
120.9599686	2.28
123.0125656	0.64
124.1136169	0.03
124.9544067	0.09
127.0739746	0.06
129.0022583	0.33
131.0526581	0.18
133.0230408	0.89
135.0749207	3.42
135.9669495	0.04
137.1530457	0.32
140.9134827	0.08
143.0000458	0.77
144.8517151	0.07
146.9812927	2.89
149.0305939	2.47
150.9873962	0.72
156.9995117	0.80
159.0332336	0.58
160.9312439	2.72
163.2026062	0.77
165.2421875	0.50
166.9892731	0.12
169.0526123	0.49
171.0218201	0.11
173.1060791	0.82
175.0426788	1.86
177.0995331	0.62
178.9638977	0.02
181.053894	0.18
183.0745087	0.24
184.9063568	0.31
187.0953979	0.58
189.0930176	1.36
191.0715637	0.46
193.0296173	0.15
195.0099487	0.04
197.2155457	0.22
199.1440735	0.22
201.0843201	0.44
203.1054535	1.22
205.1222992	0.72
208.9727783	0.14
211.1205444	0.29
213.2052917	0.26
215.0913696	0.13
217.180542	0.58
218.9967041	0.15
223.2084045	0.24
225.0733337	0.15
227.2093811	0.28
228.3778381	0.03
230.0145264	0.03
231.2392578	0.92
232.9983826	0.12
235.2928772	0.04
239.3095093	0.15
241.0588684	0.29
242.9627991	0.21
245.3139343	1.38
247.2543945	4.90
248.0982361	0.06
251.2337036	0.10
253.7131348	0.03
255.1530457	0.11
257.2553711	0.39
259.2255554	0.40
261.1147461	0.05
267.208252	0.43
269.0601807	0.03
270.3212891	0.17
271.2524414	0.45
277.1879272	0.50
281.2453003	0.17
283.1602173	0.19
285.2260132	0.38
287.416626	0.28
295.1372681	0.41
296.952179	0.11
299.2603149	1.05
301.2839355	0.12
305.2320251	1.90
307.2559814	0.05
308.9569702	0.06
310.2637329	0.02
311.1792297	0.07
313.3283997	0.22
323.230957	100.00
324.2746582	0.04
325.427002	0.16
332.5142212	0.08
341.2713013	1.29
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 E
Peak:m/z	Relative Intensity
219.3710938	2.48
261.2174988	3.15
265.2261658	10.78
281.2329102	1.85
322.3251343	0.70
327.3079834	3.24
344.8662109	2.43
365.2639771	1.28
389.4209595	1.32
417.2866211	10.12
419.1939087	9.78
435.2880249	1.95
443.4785767	2.71
447.4609985	1.37
454.9991455	2.24
475.3878784	8.23
485.6943359	2.49
489.3444824	1.90
504.4802246	2.93
509.4041138	0.89
526.6033325	1.42
567.5196533	1.51
577.6915894	0.89
583.6502075	2.96
597.460144	4.20
601.4747314	1.19
605.7793579	2.18
627.6832886	1.18
632.4109497	3.52
635.6992188	1.90
653.5340576	100.00
655.3322754	2.53
656.057312	2.82
672.8139648	2.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	381.1222
Annotation	Farnesyl diphosphate
Peak:m/z	Relative Intensity
142.9858246	0.13
147.1356201	0.14
153.0355835	0.13
171.9381561	0.05
188.6179047	0.07
200.9828491	0.47
216.9603577	0.04
233.1245422	7.70
235.1321411	0.17
236.9244995	0.10
241.9208374	0.08
251.0899658	0.09
255.1778870	0.10
257.1798706	0.15
261.2632446	0.10
265.0755310	0.07
267.0276489	100.00
282.3628540	0.08
285.3516541	0.10
286.9324341	0.16
291.1971436	0.05
299.4280396	0.10
303.5857544	0.07
305.0188904	0.30
307.5333862	0.05
317.0585327	0.08
321.4442139	0.15
331.1312256	0.05
335.0779419	0.33
337.1140442	0.08
341.2104492	0.20
345.3265686	0.59
347.0580750	0.06
363.0362549	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	521.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
155.9247437	0.40
173.0681763	61.29
309.2558594	0.07
345.1682739	0.16
347.0822144	100.00
366.3850098	0.06
384.8856812	0.08
403.0917358	0.22
436.7841187	0.13
475.0217896	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1521
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
203.3305206	0.02
216.8769531	0.11
218.1647491	0.09
228.0547333	0.01
229.1544189	0.02
256.9180908	0.04
257.5622559	0.03
271.1152344	0.05
273.1040649	0.06
274.0233459	0.24
277.0529175	0.05
285.3121948	0.07
299.9447632	0.02
302.0643921	3.40
308.2788696	0.05
317.0623779	100.00
317.9832153	0.03
345.5079956	0.08
361.2895508	0.01
385.3743286	0.02
397.3633423	0.01
427.3217773	0.03
433.0471802	0.06
435.09021	0.09
462.3921509	0.05
463.4855957	0.09
479.2983398	0.03
484.2879639	0.09
538.9393921	0.01
581.7964478	0.04
589.3848267	0.07
597.5933228	0.04
606.5664673	0.03
607.298645	0.16
611.7528687	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	383.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
162.8993225	0.08
174.5929871	0.03
186.8684692	0.08
195.0337830	0.02
202.9060364	0.09
203.9400635	0.03
214.9615631	0.13
216.9952698	0.47
219.0702209	0.06
222.9410858	0.30
230.8024597	0.07
232.9561462	0.06
234.3416443	0.40
235.0162048	0.63
256.8875732	0.21
258.6935120	0.03
260.8640747	0.08
262.9478455	0.11
264.9159851	32.34
267.1710815	0.16
272.3296814	0.03
277.0150146	37.50
279.1771240	0.08
286.6932983	0.17
289.0527344	1.18
292.8327026	0.05
294.9190674	100.00
295.8060913	0.03
301.1485596	0.26
303.9648438	0.08
304.9099121	1.84
305.5630493	0.06
307.0112305	1.96
309.9776611	1.76
311.0654907	4.49
318.9960327	0.66
321.1884460	0.07
321.8885803	0.08
322.9632263	3.29
324.9664612	25.56
326.9705811	0.05
331.0636292	0.20
332.0211182	0.03
337.0640869	0.53
349.0738525	1.19
355.0751648	0.20
364.0439148	0.21
366.9786377	16.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	805.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
326.2165222	0.03
381.3405762	0.04
383.3791504	0.03
385.3422852	0.04
402.3543091	0.10
403.3037720	0.35
432.3359985	0.07
446.3867188	0.02
469.0703125	0.04
474.3759766	0.19
475.2275391	0.03
476.6102295	0.08
478.9534302	0.05
488.2478638	0.09
491.2008057	0.12
495.8811646	0.05
544.8272705	0.05
551.6404419	0.31
552.3281860	0.14
565.2775269	0.09
593.3390503	0.17
594.3690796	0.56
595.3461914	0.22
606.1473999	0.16
607.4434204	0.37
609.1115112	0.08
611.3582764	0.10
623.4096680	0.06
636.9409790	0.06
637.8466797	0.05
639.1202393	0.35
642.1951294	0.04
644.3687134	0.06
650.3179321	0.50
651.2173462	2.11
652.4025269	0.57
660.3512573	0.16
662.2180176	0.16
670.4355469	0.06
674.4465942	0.03
682.3057861	0.79
683.2922974	3.34
684.3724976	0.69
686.5851440	0.14
687.5264282	0.30
688.4055176	0.53
702.3627930	0.32
705.4455566	0.06
727.4595337	0.18
729.3106689	0.61
730.4038086	2.02
731.4229126	0.04
732.1945190	0.10
733.6860352	0.21
745.4157104	0.10
746.3819580	0.38
750.7352295	0.07
755.1853638	0.13
756.4518433	0.29
760.4169312	0.17
762.1343384	0.13
770.6079712	0.06
771.9957886	0.03
773.4331665	13.61
774.3443604	100.00
774.9592896	1.95
777.7968140	0.05
778.5323486	0.35
788.3852539	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1522
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
202.9867859	0.04
212.0005188	0.04
217.0575562	0.07
217.872879	0.04
233.8414459	0.05
242.1679688	0.15
245.0789185	0.03
246.1788788	0.08
257.2480469	0.26
260.2063599	0.04
261.0133972	0.03
269.0246277	0.04
271.2963562	0.17
273.0564575	0.08
274.1846313	0.45
301.020813	0.60
302.1224365	3.66
302.8853149	0.02
317.057373	100.00
317.6885376	0.37
318.3783569	0.05
407.2854614	0.08
425.2719116	0.02
436.2610474	0.06
447.3242798	0.04
463.1539307	0.22
471.8613281	0.12
515.2627563	0.02
536.9152222	0.02
538.0941772	0.08
547.3372803	0.10
583.2084961	0.15
589.3572388	0.04
607.0734863	0.08
607.8927612	0.04
610.2341309	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.1348
Annotation	2''-O-p-Coumaroylvitexin
Peak:m/z	Relative Intensity
161.0471039	0.08
174.9358673	0.33
177.0470734	0.19
179.2876892	0.10
182.9926758	0.05
186.9267426	0.03
199.9464569	0.06
203.2672424	0.34
205.0314178	0.30
215.0019073	0.04
217.2178040	0.08
226.9214630	0.18
228.9628601	0.10
243.3459167	0.18
245.0929413	3.02
247.1255341	0.08
255.1683807	0.09
257.1597900	0.04
269.1823730	0.22
271.2338562	0.13
273.1345520	3.30
275.0629883	0.05
285.0809631	0.28
287.0867310	5.31
289.0842896	15.79
290.1302490	0.14
299.1609192	4.54
301.4050293	0.09
303.0960693	0.23
309.0627441	0.10
324.4118042	0.22
325.3862915	0.05
328.2144165	0.11
329.1263428	0.48
331.3517456	0.15
339.1806030	0.18
341.1991577	0.05
352.9873047	0.31
355.2522583	0.05
357.2141724	0.09
363.2167358	0.11
369.1997681	0.19
379.5266724	0.08
381.1787720	0.56
397.2860718	0.16
401.3659058	0.11
405.0910034	0.09
407.1359863	48.47
408.0300293	0.03
409.2262573	0.39
411.3292236	0.61
412.9944458	0.86
415.1924438	0.45
417.1461792	0.11
423.3563843	0.15
425.1719360	100.00
426.3452759	0.09
429.1699219	0.15
433.2247925	0.26
437.2610474	0.11
439.5227661	0.09
445.1367798	0.04
449.3165283	1.08
451.2103882	19.81
455.1833496	0.09
463.2101440	0.18
467.2525635	0.83
473.1477051	0.39
479.3276367	0.60
481.2202759	0.05
483.3735352	0.23
485.0275269	0.05
487.4832153	0.03
489.2620239	0.14
491.4827271	1.13
492.2054443	0.36
497.1004028	0.14
500.4792480	1.29
501.1904907	0.05
509.0479126	0.29
513.6899414	0.08
515.4191284	0.33
530.0751953	0.08
531.1760254	0.72
532.3102417	0.20
533.1555786	0.83
534.1950684	0.15
541.6745605	0.07
542.4116821	0.09
543.2156372	0.07
550.4046021	0.05
555.5255737	0.07
559.0913086	6.30
562.3371582	0.20
577.1289062	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	385.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
117.9609985	0.22
129.8213348	0.12
144.2686462	0.02
146.1060181	0.30
159.9660492	1.77
170.2910156	0.01
188.0438843	2.69
195.0030975	0.01
206.0274353	100.00
218.2806702	0.02
221.1820679	0.03
223.0429382	0.10
248.0793152	0.63
269.2309875	0.02
272.0794983	0.19
283.0797729	0.03
289.1117249	0.02
290.3784485	0.01
314.1009216	0.07
325.1804199	0.01
332.0671387	0.37
332.6923828	0.03
339.2297363	0.01
349.6156006	0.03
350.2228394	0.48
357.0381165	0.03
366.3342896	0.19
367.9161072	11.75
368.7668762	0.03
385.4385376	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.09
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
79.02407837	0.47
80.71376038	0.81
83.06355286	0.88
88.8550415	0.99
91.06223297	0.47
95.09469604	7.70
97.05107117	4.18
98.91249084	2.04
100.7891846	0.30
102.9735413	4.00
103.8853302	0.69
105.0385132	0.64
107.0476227	0.80
108.8779755	5.87
110.829834	0.27
112.6924438	1.09
115.1486053	2.76
116.9879761	0.45
119.0382385	1.01
120.9341583	2.03
123.0997467	6.68
124.7701569	0.30
126.869812	1.41
128.882431	6.54
129.8401184	2.04
131.0806274	0.49
133.0990143	5.16
134.8897552	4.78
136.9435272	1.31
138.2292175	1.36
139.0583038	2.29
140.8750458	2.13
141.6800537	0.67
143.1952667	1.04
147.3090363	4.10
149.0871582	0.98
151.0449829	82.14
151.9485626	9.06
154.8063812	7.21
159.2020874	2.34
161.3451843	0.66
162.1825256	1.37
163.0587921	0.95
165.0770721	2.19
166.0853119	0.83
167.07341	4.92
169.0844574	3.88
171.1313324	3.74
173.2747955	0.47
174.4788361	1.01
175.1096191	1.91
177.446579	2.15
179.2275543	3.48
181.9010773	2.51
183.0597534	3.60
184.8667603	3.14
185.7984161	0.31
187.8834381	0.58
189.202713	2.58
191.1310577	0.76
193.1111298	3.75
194.1659241	3.05
195.116745	3.88
197.0866394	6.40
197.9282227	0.92
199.1688995	0.87
206.9663849	4.32
209.1352844	4.07
211.0472412	4.47
216.2751617	4.74
217.2944183	24.58
221.3804474	0.34
223.4113007	1.42
225.228653	20.14
226.2204132	2.62
235.2203369	41.33
237.5919189	2.96
238.1959839	8.77
239.3238983	3.14
244.2893066	4.35
245.0099945	0.36
250.9279633	2.53
253.095108	100.00
254.120163	11.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	671.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
190.7361603	0.09
193.1365967	0.09
259.3175049	0.08
275.2473145	0.15
282.0707703	0.30
285.1862183	0.03
289.1879272	0.04
297.0507202	1.50
311.3626709	0.11
314.1415405	0.16
319.0218506	0.06
321.2796631	0.17
329.1182251	3.81
334.2806396	0.11
347.1047363	0.77
353.1226807	0.34
355.1359253	0.60
359.2240601	0.04
364.6354370	0.07
371.1967773	0.86
408.2621460	0.09
413.2857666	0.09
419.2015381	0.14
423.8757935	0.07
435.1707764	0.10
457.3125000	0.23
459.1321411	0.23
461.3649902	0.07
462.2864990	0.18
463.1619873	0.27
475.2467041	0.11
476.2736206	0.04
477.2108154	0.42
486.9704590	0.11
491.1464844	10.23
505.4007568	0.03
509.1471558	100.00
509.7559204	0.23
517.2033081	0.05
519.0317383	0.30
533.2188110	0.44
551.3994751	0.10
563.2470093	0.04
575.2835083	0.08
585.6858521	0.18
589.3230591	0.13
624.5086060	0.87
625.3560181	1.34
627.3098755	0.21
639.1013184	0.12
642.6327515	0.04
643.8300171	0.07
653.3295288	0.30
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
90.08106995	0.07
91.17408752	0.15
93.02709198	0.10
94.98495483	2.42
97.01985168	0.80
99.09934998	0.14
104.4318008	0.24
105.0537338	0.38
107.0158615	0.57
108.9705048	1.89
109.9443283	0.12
111.042366	1.19
112.8123474	0.08
114.1811905	0.09
119.0188065	0.94
121.0682373	1.36
123.0402679	1.42
124.0149536	0.23
125.2316589	0.26
128.7919617	0.18
129.9730835	0.05
132.9986877	1.18
135.1220398	1.53
136.9653625	1.75
139.155426	0.23
141.1730957	0.10
141.9689636	0.08
143.1526337	0.28
146.9377747	0.66
149.0659485	1.02
151.1037903	1.22
152.9424133	0.37
155.0379639	0.18
156.0287323	0.69
156.9714355	0.17
159.309967	0.09
161.021698	0.13
163.1809082	0.54
165.0582886	0.25
167.6401367	0.12
169.0288086	0.45
170.3154907	0.22
175.2596741	0.14
177.1464233	0.35
179.3309631	0.27
181.297821	0.17
182.964386	0.05
189.1827545	0.34
190.1459198	0.03
191.1743622	0.93
196.0890045	0.04
196.8731232	0.15
198.1737213	0.47
201.0583038	0.36
204.0969849	0.09
204.9450684	0.04
206.8145447	0.22
209.0926819	0.25
211.1736755	0.58
213.0739746	0.08
214.1129761	0.08
217.488739	0.23
218.6700134	0.25
219.2911072	0.88
221.1836548	2.70
222.1980286	0.32
223.0985107	0.03
224.4289856	0.26
225.1925354	0.17
226.0983887	0.60
226.8352356	0.05
228.3170776	0.04
230.2958679	0.06
231.3844299	0.20
233.1972351	1.77
235.366394	0.03
236.193512	0.18
237.3109741	0.64
238.3711548	0.20
239.1782837	1.26
241.3528442	0.06
242.3321228	0.85
245.210022	1.99
246.2763367	0.09
247.1647644	0.08
249.387146	0.30
250.2282715	1.67
251.1956482	2.05
252.5651245	0.15
254.3471069	0.26
255.2990723	0.13
256.1487427	0.24
257.2253418	0.15
262.3184204	8.11
263.3269653	3.11
267.1263123	1.99
268.2757568	1.29
269.2157898	0.53
270.0360413	0.06
271.1564636	0.28
272.2102051	0.10
273.0765381	0.14
274.0865784	0.35
275.190094	0.26
280.2770386	66.11
281.2669067	0.80
284.4046631	0.03
285.1594849	0.96
287.7923584	0.16
289.0477905	0.10
295.1676025	0.05
298.2661133	100.00
299.2452393	1.73
302.1553955	1.49
307.3873901	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	427.1819
Annotation	1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
125.9062195	0.08
195.1605682	0.05
221.0418854	0.03
249.2166748	0.02
265.4091492	0.02
279.2526550	0.06
299.4612122	0.03
306.9490967	0.14
311.1061401	0.04
312.9783325	0.12
325.3408813	0.03
355.5377502	0.07
358.9967041	0.06
367.4750671	0.12
381.2304688	100.00
382.2363281	0.14
383.0725403	0.09
409.2716675	0.08
417.7254333	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	552.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9475708	0.22
162.8107452	0.16
164.9988708	17.16
169.1297760	0.04
182.0330200	100.00
184.0960083	0.05
187.1349792	0.39
202.8935242	0.14
209.1867371	0.94
211.2110596	0.09
230.0925446	0.06
255.8199463	0.10
271.1063538	0.12
288.8769226	0.20
297.5616455	0.15
313.3466187	0.07
314.6198120	0.20
315.3870239	0.14
317.2083740	0.76
320.0433350	0.09
324.8758545	0.23
326.0718994	0.27
343.8214722	8.20
344.4955444	1.23
346.5103760	0.14
347.6686401	0.40
352.9243774	0.07
359.9978638	0.59
364.8845825	0.15
369.7424316	0.08
371.1221313	0.22
373.7698975	0.27
378.0565796	0.08
384.1399536	0.13
388.2250977	0.09
389.0532227	0.19
389.7153931	6.70
390.4292603	0.04
406.1544800	0.60
410.4276733	0.32
414.4172974	0.09
422.3459473	0.31
423.1663818	0.47
433.5488281	0.07
459.0462036	0.05
467.0744629	0.19
485.8058472	0.25
487.6954956	0.14
493.9522095	0.07
505.4677734	0.48
506.1472778	1.49
508.3943481	0.15
520.1157837	0.18
533.6388550	0.12
534.5360718	0.52
551.7519531	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
217.1988678	0.09
217.9934387	0.10
219.2450867	0.46
228.9949799	0.17
231.8315125	0.08
245.9876404	0.13
247.3650513	0.30
257.1384888	0.35
274.12677	0.83
275.2017822	0.12
283.2677002	0.28
302.0723877	4.61
303.1543274	1.93
304.1890869	0.27
317.0669556	100.00
318.1008911	98.59
318.9310303	0.08
325.5394897	0.12
464.3792725	0.54
469.173645	0.37
471.6126709	0.42
548.5296631	0.14
570.1259155	0.37
590.5511475	0.47
608.0345459	0.71
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.0025
Annotation	SC-58125
Peak:m/z	Relative Intensity
131.0048218	0.06
155.2246399	0.05
173.0714417	2.36
185.1210632	0.05
190.9566956	100.00
213.0306091	0.10
241.0155029	0.10
249.1742249	0.04
255.2848511	0.12
272.9384155	0.50
273.9727478	0.05
286.9956665	0.93
298.9649353	0.34
304.9410400	0.13
306.1365356	0.12
317.0397034	1.22
323.1578979	0.23
331.0254211	0.04
347.4130859	0.11
359.0258789	0.35
360.9529114	0.05
367.9137878	0.08
375.2821350	0.04
385.0262756	0.39
387.3630981	0.04
403.0572815	4.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.04
Annotation	Unknow
Peak:m/z	Relative Intensity
84.7381058	0.09
123.1384125	0.12
137.1182861	0.39
140.9945068	0.29
156.2271118	0.24
159.2414398	0.18
167.9957275	0.07
171.0878754	0.06
191.3624725	0.08
195.3702393	0.13
196.8683929	0.22
207.2461548	0.16
208.9927368	0.25
210.8613892	0.54
212.9010315	100.00
225.1358948	0.11
237.0145569	0.41
239.0664978	0.41
250.9985962	6.90
253.0191650	0.31
279.0817261	1.30
280.3047791	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
181.0873108	0.08
203.1194916	0.09
214.8867188	0.11
228.306839	0.07
228.9839478	0.12
235.1186981	0.04
245.3063965	0.14
254.8220825	0.08
257.0569153	0.28
272.9139404	0.05
273.9708252	0.86
281.3624573	0.26
293.7550659	0.61
302.0085754	3.51
311.2915039	0.17
315.1000977	0.11
317.0622559	100.00
318.1195679	0.03
343.390564	0.26
355.1144409	0.06
440.2975464	0.12
463.1605835	0.59
477.3664551	0.06
479.3046265	0.11
489.1887817	0.04
493.3292847	0.11
510.4695435	0.13
521.2936401	0.10
523.3520508	0.29
555.0977173	0.24
578.2796021	0.07
589.5597534	0.16
597.8807983	0.05
603.7302856	0.55
607.288147	0.71
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	509.2234
Annotation	Linalool 3,7-oxide beta-primeveroside
Peak:m/z	Relative Intensity
192.9670258	0.14
251.0005951	0.05
268.2154236	0.05
283.3508301	0.09
287.1125183	0.13
293.3414307	0.09
298.8541870	0.06
301.1834717	0.18
303.1580200	0.15
311.2918701	0.10
314.2904663	0.20
319.1924438	0.16
329.0569458	4.17
329.7739258	0.05
330.4235229	0.15
331.1228638	0.03
343.1915894	0.03
347.1732178	3.48
348.1836548	0.09
353.0560913	0.04
355.2815552	1.60
356.0670166	0.03
358.9843140	0.24
371.2969360	0.13
377.4807739	0.07
401.3353882	0.10
433.2868042	0.08
441.2907715	0.03
463.2244263	100.00
463.8402100	0.23
466.3967285	0.11
473.3147583	0.04
481.1195679	0.06
490.9566040	0.35
491.8148193	0.03
494.4091797	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	463.0877
Annotation	6-Hydroxytricetin 5-rhamnoside
Peak:m/z	Relative Intensity
150.9302979	0.69
153.2642212	0.08
163.2342224	0.07
169.2110596	0.03
178.9692230	1.40
198.0923157	0.06
198.9656372	0.02
205.8358765	0.07
209.1434631	0.02
211.1828613	0.15
212.1387634	0.07
215.0190125	0.03
217.2857361	0.11
222.9149628	0.04
227.0949402	0.16
229.0011292	0.05
231.8759155	0.04
233.1255493	0.09
240.1594086	0.19
242.8290100	0.04
246.9995728	0.10
255.0890503	0.47
256.1219482	0.11
257.1594238	0.32
261.3721619	0.17
264.9985352	0.08
269.1232605	0.09
271.2959900	0.08
271.9989014	0.32
273.3005676	0.19
279.0366211	0.03
283.0385437	0.46
285.1293640	0.20
289.1132202	0.06
294.9675293	0.03
297.7283630	0.15
300.0552673	20.56
301.0611572	100.00
302.0769043	0.92
309.4235229	0.10
311.2431335	0.04
313.1220093	0.15
313.8184814	0.12
317.3287659	0.13
325.2708130	0.14
326.4362183	0.11
327.2762451	0.07
331.3531494	0.10
337.2998047	0.10
343.1179810	2.08
343.9649658	0.03
355.1333008	0.08
373.1765442	0.32
403.4367676	0.06
419.0757751	0.15
426.4298401	0.03
445.1407776	0.33
446.0999451	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1529
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
199.8709259	0.09
211.0473022	0.11
217.1861725	0.13
217.8962097	0.04
227.091095	0.04
229.1314087	0.04
232.9986877	0.02
242.8914795	0.02
245.1884155	0.21
246.3357849	0.04
257.1715393	0.04
258.0490112	0.01
272.7562866	0.07
274.1273804	0.22
284.2523804	0.04
285.1376343	0.10
287.1705933	0.08
291.184082	0.04
302.0477295	3.27
303.1426392	0.03
315.2442627	0.11
317.0602417	100.00
317.6794739	0.32
327.1188354	0.03
337.1937866	0.08
349.3540039	0.02
367.4049072	0.05
369.0166626	0.05
461.3575439	0.03
463.3840332	0.26
471.5025024	0.05
479.1977539	0.09
511.5552368	0.04
535.1663818	0.03
540.0509644	0.17
549.3751831	0.03
562.5197754	0.07
569.1207886	0.02
578.8265381	0.05
589.0421753	0.03
595.1237183	0.16
606.8613892	0.35
607.5337524	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	505.1327
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
171.0748901	0.04
195.5195465	0.10
196.9760742	0.04
201.8283081	0.04
211.0869446	0.08
237.2534027	0.05
255.997345	0.12
260.995575	0.07
287.117218	0.10
301.0671387	52.09
302.1028137	100.00
303.2528076	0.06
303.9680786	0.07
309.4924927	0.07
312.8711548	0.06
344.2640991	1.41
374.0882568	0.08
390.2446594	0.04
416.0229187	0.04
425.2860413	0.35
453.2556458	0.08
488.1922302	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	479.1163
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
164.9239807	0.12
179.3170319	0.08
246.206604	0.04
273.1080933	0.08
279.9525146	0.16
289.230957	0.07
297.1872864	0.23
299.2619019	0.21
317.0752563	100.00
317.7686768	0.17
331.2761841	0.05
332.2421875	0.08
335.1013184	0.05
349.9852295	0.07
359.4412231	0.04
361.5354614	0.15
380.2362976	0.31
405.0802002	0.12
407.2307434	0.10
416.0674438	0.04
424.2315674	0.30
431.0697021	0.10
433.4107971	0.07
443.4174194	0.10
445.4733276	0.14
461.0975342	1.00
461.795929	0.09
470.5516968	0.21
478.1325073	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
176.1476135	0.03
201.1714478	0.08
217.0939331	0.17
218.3389893	0.05
228.0404053	0.07
229.1175537	0.12
241.9966278	0.03
245.0191345	0.06
246.201004	0.08
256.0296936	0.10
257.2057495	0.20
273.0479736	0.02
274.1846924	0.42
298.9897766	0.05
300.8872681	0.17
302.1205444	3.89
317.0567627	100.00
317.677887	0.48
318.4124756	0.03
331.4291992	0.10
347.0981445	0.03
365.3414307	0.05
427.4171753	0.09
463.3829346	0.16
473.9593506	0.04
475.4569702	0.03
479.2730713	0.07
497.9083862	0.09
535.1080933	0.09
551.2305908	0.05
582.6559448	0.08
607.4212036	0.06
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
93.0377274	0.06
94.9278488	0.06
101.0705414	0.26
110.9707184	0.07
113.0524826	0.29
117.0092621	2.05
119.0621872	9.32
122.8944397	0.11
137.9648132	0.07
143.1946411	0.37
144.9797974	100.00
157.1142426	0.06
158.0675354	0.15
159.0878906	1.03
161.0784302	1.54
162.9733582	86.75
172.9735413	0.60
177.1327515	0.67
179.0979767	0.04
182.9155884	0.03
186.9856110	51.73
187.5916748	0.16
189.0153198	0.28
191.1450348	0.61
193.8370361	0.10
203.1663208	1.11
204.9442139	8.72
209.1417847	0.10
215.1320496	0.29
217.0557556	1.82
218.9778442	0.18
229.0754700	1.07
235.0126343	9.30
237.1986389	0.20
244.8323669	0.12
247.1890259	0.05
253.0097351	0.18
259.2071533	0.10
260.9031982	0.11
265.1487122	21.97
277.0167847	0.13
278.2423706	0.20
279.0101929	0.69
280.3893433	0.18
281.2395325	0.38
287.2624817	0.05
289.1428833	7.80
294.9877930	0.09
304.8269653	0.12
307.1582031	1.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
201.0542297	0.17
203.029541	0.14
205.0606384	0.58
216.8168182	0.13
217.805954	0.12
219.237854	0.04
247.2468567	0.22
257.2772522	0.26
258.9981079	0.15
266.7948608	0.15
287.076416	0.14
295.030365	0.14
301.1828613	2.73
303.0505371	100.00
303.6904297	0.20
312.9909668	0.08
351.0209351	0.12
355.8859863	0.04
365.3148193	0.14
377.1920166	0.17
399.1903687	0.12
447.0457153	0.12
448.043396	0.23
449.1039429	0.29
463.62323	0.04
485.7165527	0.13
490.6374512	0.25
501.3133545	0.08
547.0595093	0.21
552.4867554	0.19
563.381897	0.28
566.9352417	0.23
568.7199097	0.17
593.1978149	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.152
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
188.2794342	0.23
246.1063843	0.27
247.3356323	0.11
258.2471619	0.21
274.2133179	0.62
275.2255859	1.28
284.1408691	0.18
302.0959778	4.51
303.0984497	4.52
317.0723877	91.42
318.2094727	100.00
335.1739502	0.20
341.1187134	0.14
349.7438965	0.46
353.2151489	0.10
360.1688232	0.28
385.1539307	0.13
427.4416504	0.20
462.8964233	0.13
464.4318848	0.10
471.494751	0.06
472.1889038	0.62
482.9598999	0.09
490.2319336	0.55
494.3354492	0.36
499.8977051	0.08
538.1182251	0.18
576.201355	0.18
577.0007935	0.84
579.9137573	0.33
590.2924805	0.17
593.4014282	0.12
598.4494019	0.26
607.8604736	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	518.3223
Annotation	PC(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
149.1172180	0.06
166.0517578	0.18
169.3113708	0.18
184.0100708	100.00
184.6230621	0.13
231.7931824	0.33
240.1465302	0.15
243.0561066	0.30
258.1714478	0.67
265.0631104	0.10
267.3038330	0.08
283.4154968	0.21
289.0607910	0.11
298.3047485	0.18
299.3005066	0.10
327.3596802	0.07
336.7336426	0.67
338.6185913	0.20
355.3497925	0.08
357.4233398	0.14
370.4002075	0.10
402.4370117	0.10
409.4662476	0.17
410.4686279	0.14
425.1011353	0.37
433.3406982	0.14
439.0101318	0.35
446.2780762	0.07
459.3940430	0.17
487.7496948	0.17
495.3201294	0.51
500.3701782	57.27
501.2572021	0.36
509.8152466	0.09
510.8516846	0.25
519.0187988	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
84.9861908	0.13
88.99903107	0.13
91.05101013	0.24
92.98725128	0.07
94.90871429	1.14
96.88601685	1.44
99.77977753	0.09
101.0413208	0.13
103.0409164	0.15
105.0178223	0.35
109.0139084	1.13
111.0625	0.59
112.9171371	0.51
117.0746765	0.35
119.1224365	0.42
121.0968018	0.90
123.0543213	4.08
125.0302429	0.68
127.0329819	0.35
129.0435944	0.72
130.8720245	0.47
133.1438446	1.96
135.0030212	1.90
137.1635437	0.88
138.9883423	3.86
141.0520325	0.32
143.1682739	0.52
145.1012878	0.64
147.1427612	0.88
149.0399475	0.98
150.884552	0.62
153.1393738	1.21
155.0117798	1.26
156.8554077	0.58
159.064743	0.53
161.0817108	0.94
163.1706238	0.37
165.1195526	0.35
166.9712677	0.13
169.0877533	1.14
170.9905243	0.41
174.8500061	0.48
179.1727905	0.58
181.2038116	0.83
183.1873169	1.59
185.1218719	1.78
187.1039429	0.20
189.0586853	0.67
191.2351074	0.21
193.2314148	0.84
195.1494446	0.59
197.0622864	3.97
199.0469971	0.75
201.0531006	0.61
203.1004028	1.00
205.3013306	0.17
207.1720886	0.55
209.0962524	1.07
211.0375671	0.67
213.1185303	1.26
214.1037598	0.12
215.178894	0.57
216.1011963	0.25
217.1952209	0.28
219.1711731	1.90
221.2610779	2.81
223.1710815	1.05
225.1412048	1.77
227.2677002	1.71
231.1422424	0.15
233.2851257	1.56
235.2207947	0.42
237.3049011	4.00
239.2417603	8.73
241.1921692	0.75
243.2890625	3.08
251.2930603	3.30
252.9988403	0.77
255.1920166	2.58
256.2791443	0.41
257.0967712	0.99
259.4526367	0.05
261.1533203	5.30
263.3273926	0.54
267.0344849	0.12
269.307251	1.02
272.9595642	0.45
277.1831055	0.28
279.2412109	100.00
281.1109009	2.65
282.1763	0.21
287.5920105	0.97
288.4077759	1.56
301.2305298	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.1439
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
177.1610107	0.23
202.9401093	0.24
255.1080017	0.06
287.0617676	100.00
308.8171997	0.20
374.3198853	0.53
381.3340454	0.11
387.480835	0.18
396.0233154	0.12
415.1800537	0.06
416.225708	0.11
429.2492676	0.09
454.5488281	0.13
455.3041382	0.39
521.3731079	0.07
556.7085571	0.14
576.9290771	0.24
585.975647	0.18
593.989502	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	338.1225
Annotation	1H-Indol-3-ylacetyl-myo-inositol
Peak:m/z	Relative Intensity
113.0330048	1.01
130.0235748	0.86
131.0703735	1.66
132.2523651	0.26
142.1666412	0.90
149.1289368	0.40
160.1716461	0.37
173.3609009	0.76
175.3448639	1.21
188.1151123	3.38
193.9052429	1.31
199.1197662	1.70
206.1135712	95.22
213.2396240	1.32
215.9904175	1.15
218.1008606	6.82
229.9169006	0.64
236.1751404	5.71
248.1364136	98.16
248.8080139	0.44
260.4757690	0.29
262.0226440	1.40
264.1243286	0.70
272.1068726	5.20
274.2030334	2.32
284.1219177	4.81
290.1664429	1.75
292.1264038	0.90
293.0827026	0.93
297.0552979	3.18
302.2012939	16.49
303.2221375	0.88
320.1533813	100.00
321.2205811	3.39
324.4184265	1.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
192.2162781	0.03
200.0769348	0.03
203.1021423	0.08
215.1977539	0.03
218.0491028	0.02
228.1142883	0.24
232.1396179	0.02
246.1396179	0.05
255.115509	0.02
257.1168823	0.17
273.0136719	0.06
274.0526123	0.33
281.2564697	0.03
285.1766968	0.02
288.9472656	0.06
301.1507568	0.23
302.1051636	2.85
317.0649414	100.00
317.6768188	0.28
331.2754517	0.02
344.3329468	0.08
371.18396	0.02
395.1804199	0.02
443.623291	0.07
462.9173584	0.20
467.4985962	0.05
471.2498779	0.06
476.1729126	0.03
478.7817383	0.06
487.5993042	0.05
504.890564	0.07
511.2224121	0.04
519.2330933	0.03
526.0237427	0.05
537.4602051	0.03
549.1594849	0.06
553.423645	0.10
565.2224731	0.04
571.512207	0.04
578.7371826	0.04
581.7890015	0.03
592.9470825	0.06
595.0802612	0.08
597.3877563	0.04
606.3270874	0.05
607.0518188	0.15
607.7116089	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
177.0236359	0.07
190.0043945	0.05
216.8812866	0.03
218.0881958	0.01
221.3002625	0.02
228.9565582	0.03
232.3936462	0.06
245.0949097	0.08
247.1452026	0.02
257.1751709	0.08
272.9704285	0.03
274.0584412	0.33
284.0605164	0.07
285.1567383	0.16
289.144928	0.09
299.0943298	0.08
302.0900879	3.35
317.0699463	100.00
367.017334	0.02
371.4934692	0.06
444.8720703	0.03
463.05896	0.18
481.1988525	0.14
486.4495239	0.03
499.3060303	0.03
510.8724365	0.09
534.90271	0.02
545.3776855	0.02
566.8322144	0.12
569.0031128	0.20
589.5112915	0.02
607.4285278	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0854
Annotation	6-Methylflavonol
Peak:m/z	Relative Intensity
81.12939453	4.12
84.9443512	1.59
107.1732178	3.24
109.0434418	2.89
116.8988495	13.80
121.9670258	5.36
128.9630127	4.86
133.111618	2.55
135.1769714	3.92
147.0183716	2.96
149.2360992	1.86
150.9921417	64.36
153.118576	3.17
175.1857452	4.45
179.1142273	9.76
180.0930786	2.00
181.8591461	1.18
183.0738678	10.34
192.9802704	4.88
197.0534821	7.35
207.1000671	4.15
209.5113678	4.04
211.2849579	2.41
217.0047302	9.18
225.0406799	4.63
229.2902985	3.57
235.1885986	33.70
238.1550903	8.59
253.0794678	100.00
254.2444611	3.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	782.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
218.2244110	0.05
312.9935913	0.06
366.1317139	100.00
366.9300842	0.03
407.0153809	0.12
412.1872559	0.21
475.2228394	0.14
495.1656494	0.22
568.8661499	0.10
574.1404419	0.15
581.4876099	0.12
601.1680908	0.09
618.3438110	0.29
619.4098511	0.76
620.1795654	0.58
630.1337280	0.13
631.1071167	0.08
633.3206787	0.29
648.2597046	0.09
650.6173706	0.11
672.5056763	0.12
691.3958130	0.11
692.5639038	0.16
708.6468506	0.04
747.0054321	0.31
764.4364624	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0197
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
72.9819946	0.05
85.0442963	0.38
86.9441071	1.08
92.9809418	0.06
100.9345551	0.11
110.8719635	100.00
111.8052673	0.04
128.9811859	2.10
130.9807587	1.18
155.0665436	0.76
172.9260712	36.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	292.157
Annotation	Desethylchloroquine
Peak:m/z	Relative Intensity
109.2176437	0.07
115.7100906	0.05
118.1225357	0.03
121.9289551	0.49
129.9837036	0.07
133.0330353	0.12
135.1732483	0.02
135.9582520	0.07
144.0047760	0.07
145.0368500	0.06
147.9695740	0.09
151.1364136	0.22
160.0203247	0.06
166.0447388	0.03
176.7927246	0.05
186.9988098	0.04
201.9992065	0.09
204.9377136	0.26
211.1881714	0.14
224.1961975	0.02
227.1516418	0.06
228.1025391	0.12
228.8798218	0.02
234.8910828	0.02
237.7699890	0.04
240.1253052	0.06
242.5649109	0.05
243.2434082	0.11
246.0427551	0.44
246.8161316	0.07
250.4185791	0.06
251.1352539	0.17
255.9939880	0.38
256.9613037	0.45
259.9743958	0.04
264.1575623	0.10
268.6282959	0.02
274.1135559	100.00
275.2417603	0.17
283.0737915	5.57
285.1574402	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	288.9366
Annotation	Unknow
Peak:m/z	Relative Intensity
87.0449219	0.04
114.9074249	0.27
130.8687134	2.34
146.9440613	0.45
158.9387207	9.91
159.7895508	0.08
174.8824310	100.00
202.9340515	0.10
214.8512268	0.36
225.0504761	0.04
233.0022583	0.12
242.8323669	0.03
244.8969116	25.87
260.8914490	0.40
271.1370239	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.07
Annotation	naproxen sodium
Peak:m/z	Relative Intensity
116.983963	0.24
148.9815369	0.43
170.1272125	0.10
173.1253662	0.30
175.3481293	0.18
193.1892242	0.68
206.1072693	0.69
207.1488342	3.46
208.10849	3.54
209.2077484	0.60
220.9374695	0.09
222.2626648	2.62
223.2075348	2.49
224.1752167	0.50
251.0604095	100.00
252.1009521	16.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
228.9793243	0.11
233.1520538	0.12
256.9661865	0.47
283.0911865	0.22
287.1967163	0.51
301.3997192	0.23
303.0512085	100.00
304.1033936	0.36
345.2233887	0.17
351.3422852	0.12
355.2747192	0.09
356.0151978	0.17
409.2444458	0.24
411.3994751	0.08
431.2130737	0.27
448.9268799	0.56
456.597168	0.07
469.6012573	0.26
475.1322021	0.45
483.0844727	0.54
511.1578369	0.11
533.6832275	0.08
537.4431763	0.21
538.5195312	0.08
549.1326294	0.14
551.4456787	0.07
555.1876831	0.41
555.8068237	0.14
557.0865479	0.28
562.2133179	0.07
565.7179565	0.66
566.3429565	0.07
567.4970093	0.14
569.7816772	0.27
574.984314	0.27
577.3234253	0.25
593.2166138	0.91
602.5001221	0.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	493.2285
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
160.9506683	0.10
201.2965088	0.03
233.0745850	0.04
269.3774414	0.17
283.2254333	0.14
310.8865356	0.06
311.5457458	0.10
315.2266541	9.05
330.1199341	0.33
331.1481934	3.67
332.5725403	0.18
342.9312439	0.11
361.3402100	0.05
362.8726807	0.20
373.2969971	0.06
378.0406799	0.09
387.3940735	0.22
397.3667297	0.16
403.2452393	0.33
405.2732239	0.20
407.0863037	0.13
418.8413086	0.18
429.6384277	0.09
431.5007324	0.10
447.1676331	100.00
447.8382263	0.28
448.7354126	0.03
450.1966553	0.10
461.4509583	0.10
465.2811890	0.12
475.1471558	0.65
476.3231812	0.14
478.3081360	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.1534
Annotation	Losartan
Peak:m/z	Relative Intensity
120.8767014	0.05
131.0870819	0.13
149.0172119	0.11
159.1258850	0.09
172.4682007	0.28
173.3247681	0.13
174.8895569	0.07
185.2257080	0.04
193.0470276	0.09
207.0848694	0.18
219.1416931	1.23
233.2713623	0.16
241.3627625	0.11
253.0105896	100.00
255.2121582	0.22
262.9514771	0.10
307.2106018	0.14
318.7543030	0.06
322.8866272	0.04
325.0698547	0.64
325.6854248	0.05
335.3131714	0.05
336.0631104	0.10
339.4830933	0.14
340.8383179	0.21
342.9078979	0.09
357.2473145	0.52
358.4206848	0.11
365.4312744	0.06
367.3490295	0.14
373.2252808	0.07
375.0920410	0.80
375.7618103	0.17
376.9208984	0.33
385.0824890	0.15
393.1032410	0.10
400.8858337	0.10
403.1674194	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	316.2837
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
90.70513916	0.06
92.95207214	0.28
95.00250244	1.77
95.71360779	0.08
97.01770782	0.50
100.0205154	0.25
102.078392	0.17
104.9060516	0.30
107.0661392	0.44
109.024353	2.24
109.8990936	0.06
110.9953766	0.44
111.9145737	0.49
113.0829163	0.14
114.0671844	0.06
115.0421906	0.10
115.7181396	0.11
118.9902039	0.60
120.0027237	0.05
120.9070892	1.24
122.9920502	1.75
123.9210205	0.17
125.0342712	0.42
128.1733704	0.04
133.0801239	1.77
135.0487976	1.74
137.0845642	1.04
139.0979614	0.17
140.0562134	0.31
141.0442505	0.25
142.3556519	0.17
146.976532	0.52
149.0527191	1.01
151.0688934	1.11
154.20224	0.06
154.9923096	0.07
156.1882629	0.03
160.9555054	1.12
163.1384888	0.84
165.10672	0.61
167.2021637	0.12
169.0376587	0.22
170.1764221	0.40
175.1460571	0.82
177.0990601	0.23
179.0788727	0.48
181.1202087	0.05
182.0415649	0.08
183.0775146	0.21
184.2549744	0.03
185.3419952	0.24
186.0269775	0.10
189.0770264	0.31
191.1728058	0.47
193.3182678	0.08
196.2460632	0.18
197.9742126	0.08
203.2837524	0.06
205.2849426	0.03
207.1522217	0.75
209.2025452	0.06
211.1520386	0.05
215.9797668	0.17
217.2562561	0.40
219.233429	0.66
221.2459717	1.33
223.119873	0.17
224.1123047	0.22
224.8974609	0.13
233.2874146	2.39
234.2122803	0.04
235.2554016	0.31
237.1589355	0.99
239.112793	1.24
239.7127991	0.05
242.3594055	1.00
245.246582	3.27
250.2366943	1.17
251.2793579	3.27
252.3192749	0.29
254.2030945	0.10
260.2312622	0.05
262.2858276	5.69
263.3652954	3.52
268.2282715	2.40
269.352417	0.22
271.0548706	0.14
272.9042358	0.05
274.1474304	0.13
275.0231628	0.03
280.3312988	69.08
281.43927	0.45
285.4055786	0.05
298.2720947	100.00
299.3370972	0.06
307.196167	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1528
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
181.1206665	0.08
197.3784943	0.04
200.2618713	0.03
228.2481384	0.12
228.8916931	0.03
245.584198	0.34
254.9431305	0.02
258.0893555	0.08
260.8251343	0.09
267.072998	0.09
272.6699219	0.08
273.9910889	0.56
285.3601074	0.04
289.0708008	0.03
293.2407227	0.08
300.829895	0.10
302.1143188	3.63
309.4194641	0.06
313.1201172	0.05
317.0688782	100.00
317.6735229	0.17
400.2456665	0.03
408.2766113	0.03
429.8148193	0.11
433.3517456	0.04
448.3096313	0.04
463.1796875	0.22
470.5346069	0.09
479.3249512	0.09
481.2409058	0.07
493.2310791	0.07
495.4242554	0.08
522.3499756	0.06
541.3771362	0.03
551.0061035	0.08
583.5584106	0.08
589.7342529	0.05
592.8574829	0.05
607.5231323	0.42
608.2623901	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1526
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
218.0901489	0.55
227.991272	0.13
229.1452637	0.59
258.2483826	1.51
274.1766968	1.51
285.1176453	0.10
286.06427	0.81
288.223999	0.37
301.1544189	0.22
302.1110229	4.41
303.2651367	2.48
317.0602722	97.50
318.149231	100.00
338.4697266	0.17
371.0685425	0.18
419.1370239	0.42
444.6002197	0.43
446.1391602	0.52
464.269043	0.72
472.0016479	0.47
483.4239502	0.69
486.3797607	0.55
498.7387085	0.78
521.4762573	0.69
552.6593018	0.16
602.8812866	0.60
607.8834839	0.75
608.4898071	1.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	535.1434
Annotation	Malvidin 3-(6-acetylglucoside)
Peak:m/z	Relative Intensity
205.1183319	0.01
269.0078125	0.01
270.1454163	0.02
285.2599182	0.02
286.9044189	0.01
299.4995117	0.02
331.1285400	100.00
331.7651367	0.11
373.2796631	0.03
396.6372681	0.04
478.8054199	0.02
517.2556763	0.06
518.3560181	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1522
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
200.0155945	0.09
203.1268158	0.04
214.9621277	0.03
217.9753571	0.08
228.1276855	0.13
244.9934082	0.14
245.8218384	0.04
257.2686768	0.20
261.1834717	0.15
270.7157288	0.18
273.9810181	0.26
277.0484314	0.05
285.3179932	0.17
287.4794312	0.05
300.8668823	0.11
302.161499	3.90
309.1478271	0.08
317.0706177	100.00
317.6791992	0.29
412.3025513	0.21
422.3565063	0.05
427.1381226	0.04
440.7423096	0.03
444.8627319	0.19
453.4765015	0.06
491.0171509	0.08
555.1051636	0.15
563.0192871	0.05
567.7365112	0.11
594.9849243	0.05
595.7354126	0.22
598.5065308	0.07
607.2335205	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	4'-METHOXYFLAVONE
Peak:m/z	Relative Intensity
76.75797272	0.76
80.95940399	0.59
83.19688416	0.27
84.96707916	1.11
92.90794373	0.81
94.93699646	1.25
97.02069092	0.63
103.0213623	1.43
105.0261078	0.34
106.995636	0.34
108.7452698	0.42
110.9042816	0.89
119.0742035	0.79
120.9897919	1.93
122.9724731	2.25
127.0520325	0.53
128.8647461	8.42
134.9467163	1.29
137.0880585	0.53
139.3478088	0.66
141.1461029	0.47
147.0627594	0.67
149.1333313	0.48
151.0092621	67.50
152.0862579	3.27
153.000473	2.30
154.0626678	0.66
154.7529755	0.40
156.979599	1.51
159.3077698	0.73
161.055069	1.04
165.0291443	2.44
165.7321625	0.87
167.1235504	4.04
169.0678711	2.05
174.9502869	2.00
177.9874573	0.56
179.031311	4.19
180.8784943	0.27
182.0692749	0.72
183.416275	0.36
185.0047455	2.72
186.2839813	0.18
194.2588348	1.94
195.05867	0.57
197.0853424	4.86
198.2164307	0.98
199.105835	0.18
205.2142487	0.43
207.1575775	1.10
208.1438293	0.18
209.1028442	1.14
210.0856323	0.61
211.0433807	1.36
211.7701721	1.21
217.1986237	5.93
225.1265717	12.40
226.1410675	0.45
235.1119385	11.08
238.0639191	12.12
239.1420898	2.88
244.0009003	0.98
250.873291	1.89
253.0809479	100.00
254.1481171	24.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	559.1431
Annotation	Piceatannol 4'-galloylglucoside
Peak:m/z	Relative Intensity
171.8762512	0.01
175.2412109	0.01
218.1234741	0.04
233.2924042	0.02
270.9807739	0.06
282.7632446	0.09
302.9490967	0.03
321.8822632	0.02
325.7537842	0.04
327.3214722	0.14
353.4164429	0.01
355.1522217	100.00
356.3365479	0.14
365.3871460	0.02
366.2758789	0.06
377.0303345	0.03
393.0765381	0.04
396.1149292	0.03
396.9378662	0.13
425.9276733	0.07
429.0620728	0.02
439.0925903	0.01
463.1264038	0.02
468.3204346	0.05
469.1273804	0.09
498.6271362	0.07
514.4155884	0.02
523.1304932	0.05
525.3013916	0.12
531.0573730	0.01
541.1036377	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	360.149
Annotation	Lactulose
Peak:m/z	Relative Intensity
116.0842590	0.28
126.9801788	1.21
145.0128021	2.02
162.7334290	2.22
163.4223022	0.14
170.2527161	0.20
180.0695953	14.66
180.9547882	0.09
198.0205078	9.19
199.1519470	0.15
217.0873718	0.14
253.1945496	0.06
258.9356079	0.93
271.0794678	1.43
276.1995544	0.19
276.8646240	0.52
287.1463013	0.07
288.8349915	8.66
304.0314941	0.09
305.4086914	0.28
306.5902710	2.89
311.9596558	0.05
322.2255859	0.26
324.9567261	100.00
335.5778198	0.12
342.1777039	6.12
342.9958496	13.82
360.3002319	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1735
Annotation	6-C-Rhamnopyranosylrhamnetin 3-O-glucopyranoside
Peak:m/z	Relative Intensity
201.139267	0.03
227.7826233	0.02
256.930542	0.03
258.0954895	0.06
286.1322021	0.55
301.1334839	77.08
331.4411621	0.04
343.0534668	0.02
397.364502	0.06
409.1141357	0.02
435.4276733	0.07
445.3303833	0.32
463.118103	100.00
463.767334	0.15
624.9123535	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	226.13
Annotation	Dambonitol
Peak:m/z	Relative Intensity
68.8409500	0.12
72.9327393	0.03
83.8962402	0.03
87.6612091	0.03
89.8775253	0.07
95.7904663	0.09
96.9552765	0.24
100.1246338	0.03
105.8380890	0.07
113.1412964	0.10
115.9937592	0.02
118.0399475	0.03
120.0641632	0.48
121.9973907	0.07
123.2135925	0.03
124.0878906	0.09
129.9722900	0.34
133.9084778	0.03
137.8754730	0.09
141.7927399	0.14
144.9708405	0.62
147.0157623	0.05
148.0522308	0.14
149.9151764	0.15
162.8720551	13.01
163.9546661	0.26
166.0541840	0.07
173.0138702	0.07
178.0392914	0.03
180.0500488	5.16
181.0316315	0.19
181.8249054	0.25
184.3621979	0.29
185.0402374	0.38
189.8659973	0.14
191.1188202	0.05
192.9011383	1.21
195.0611877	0.10
196.0830231	0.02
197.0290680	0.06
198.1919708	0.47
203.1001587	0.04
203.7183990	0.06
208.2289124	9.00
208.9349823	100.00
209.7822723	0.03
210.9282990	0.12
216.4299927	0.16
225.9886322	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	593.27
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
193.0787964	0.04
194.7724915	0.04
206.1929932	0.08
278.4721680	0.04
279.1021423	0.04
289.0774536	0.03
309.3945312	0.10
310.4529724	0.07
319.2335815	0.02
325.0663452	0.02
326.3594360	0.02
330.4421997	0.14
343.2288208	0.05
354.4207764	0.02
357.5123901	0.07
365.1981812	0.09
370.3609009	0.10
372.4631958	0.05
375.4887085	0.04
376.4005737	0.05
388.2642212	0.02
389.3108521	0.06
390.2981567	0.20
393.4606934	0.04
403.3911133	0.03
424.4949341	0.13
425.3336792	0.06
426.1279907	0.01
428.5047607	0.14
431.3140259	0.09
434.3635254	0.15
445.0199585	0.05
446.4243164	0.09
447.2655029	0.06
448.7470093	0.08
449.3771362	0.02
459.3425293	0.29
460.3206787	0.73
461.3163452	1.57
462.4289551	0.62
463.1061401	0.03
464.3917847	0.10
465.0126953	0.02
473.3269653	1.47
474.4713745	0.52
476.3873901	0.27
477.4744873	0.22
487.5341187	0.51
488.3101807	0.29
489.3103638	0.14
490.4888306	0.02
491.6550903	0.54
492.4352417	0.73
493.2265015	0.40
497.6163940	0.05
499.4343872	0.03
500.3074341	0.05
502.4217529	0.04
503.4096069	0.22
504.3991699	0.31
505.4146118	0.38
506.3258667	0.23
507.1940918	0.04
515.2888794	1.00
516.7150269	0.52
517.4429321	0.41
519.1709595	0.22
520.4087524	0.59
521.4042969	0.46
523.4423218	0.02
527.0891113	0.07
531.2497559	0.17
532.0257568	0.04
533.3590088	100.00
534.3551636	31.04
535.2993774	0.04
536.2357788	0.02
543.4592285	0.05
544.6027222	0.13
547.2839966	1.81
548.3300171	0.64
549.3671265	0.26
550.3586426	0.21
551.5740356	0.21
552.3104858	0.11
557.3209839	0.09
558.3491821	0.04
560.1290894	0.02
561.2980347	2.03
562.4605713	0.64
564.4899902	1.50
565.3709106	2.78
566.4083252	1.23
575.3179321	2.53
576.4780884	1.53
578.4692993	0.24
579.4563599	0.14
594.6581421	0.16
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
209.0938110	0.06
212.8099823	2.86
267.0903625	0.04
284.1128540	0.25
290.7408447	0.05
296.8242493	32.72
302.7968750	0.56
308.7429810	0.07
328.4701233	0.03
344.9484253	0.48
356.9552917	0.20
359.0775146	0.03
374.8601379	0.12
378.9771423	0.24
380.5514526	100.00
381.4640198	0.22
404.8287659	0.21
408.8635254	0.08
423.1145935	0.20
446.9907532	0.21
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
89.08603668	0.26
97.06680298	0.21
125.0805969	0.62
139.9402313	0.35
149.0271454	1.45
150.8069611	0.30
152.8721771	0.40
161.0304413	1.49
163.2185822	0.21
176.8446808	0.21
179.1340485	1.02
183.6126709	0.36
185.01474	0.67
191.1073151	0.77
193.248703	0.31
195.2917633	0.87
205.1843719	2.65
207.2303009	7.50
208.151947	2.88
209.1558075	2.77
220.9713287	0.22
222.1162415	2.99
223.1190338	7.03
224.0824127	0.81
232.9812164	4.18
233.5964203	0.16
251.0778656	100.00
252.1949615	14.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1524
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
189.9979095	0.06
196.9861755	0.05
202.8352661	0.03
217.434906	0.02
218.185379	0.06
228.3430176	0.06
229.0440674	0.11
244.9821167	0.02
257.4158936	0.02
258.1448059	0.02
267.3579712	0.03
271.2986755	0.08
273.0657349	0.18
274.0727844	0.60
286.1125793	0.04
299.1121216	0.01
301.1105957	0.13
302.0272217	2.88
315.0177612	0.07
317.0682983	100.00
317.7145386	0.43
342.2613525	0.06
349.3435059	0.03
370.9526367	0.02
372.9256592	0.02
382.9307251	0.06
431.3276978	0.06
434.2855225	0.04
461.7148438	0.02
463.1848755	0.16
471.6759644	0.10
479.217041	0.14
499.0447998	0.03
517.390625	0.04
534.7105103	0.14
541.09552	0.03
544.2734375	0.18
548.6539917	0.14
571.0099487	0.18
579.4533081	0.02
583.6951904	0.02
593.5355225	0.03
598.4854736	0.03
607.4180908	0.09
609.4717407	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	308.0902
Annotation	Glutathione
Peak:m/z	Relative Intensity
115.8057556	1.27
129.9060669	0.44
143.9969788	2.18
146.0755310	0.06
149.9269409	0.02
150.9425354	0.04
161.9877472	25.58
166.0621948	0.02
178.9412231	100.00
184.0647125	0.04
187.1865540	0.03
204.9143677	0.21
215.0228271	0.63
215.8660278	0.01
219.1145020	0.10
232.9644775	14.76
242.0562744	0.02
244.1884766	0.23
245.1351318	0.85
255.9772949	0.03
262.0461731	0.05
272.1449585	0.80
274.0814819	0.09
276.5076904	0.03
286.2228394	0.04
290.0524597	5.26
291.1291504	1.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.1688
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
93.14853668	0.64
98.96255493	1.57
112.9909668	1.21
126.979126	0.49
132.9988098	2.43
138.9826355	2.05
146.3848877	0.87
148.9824219	4.91
159.0157471	1.53
169.8354797	1.81
171.3320923	0.95
179.1941071	0.99
183.0052338	100.00
184.0438843	15.34
186.1234894	0.57
197.0506287	20.65
198.0529175	5.46
211.1357727	2.79
212.1217041	5.14
213.3229065	0.25
225.0205994	1.99
226.042572	1.76
229.1342468	0.79
235.2987671	0.55
239.1231384	5.77
240.2189941	0.31
243.3871765	3.35
247.2278137	6.21
249.1941528	3.80
251.3083801	0.86
253.1744385	2.61
255.2994995	0.54
267.2485962	11.74
268.3153076	1.45
281.3610229	3.45
293.2677612	22.06
294.6567993	1.76
295.3097839	0.93
311.2111206	9.29
312.5772705	1.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	480.3066
Annotation	PC(15:1(9Z)/0:0)
Peak:m/z	Relative Intensity
155.0273743	0.75
186.1251221	1.02
198.2338867	0.56
215.9579620	0.77
242.2842560	0.47
256.2019043	0.41
265.3606567	0.38
308.4735107	0.71
317.0487061	0.16
318.2471924	0.87
336.8395081	0.80
339.3825684	100.00
377.9330444	1.23
408.9355164	0.26
418.5798035	0.88
435.0259094	0.36
462.2826843	5.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1534
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
244.9289398	0.22
253.1738739	0.11
261.1522827	0.07
273.331543	0.33
274.0532837	0.79
299.0435791	0.26
301.0983276	0.12
301.9393311	1.85
313.3760376	0.36
317.0634155	100.00
317.953125	0.19
341.3778687	0.35
371.250061	0.19
405.8578491	0.18
414.3778076	0.15
416.3045654	0.19
458.9873047	0.13
463.0146484	0.22
472.4978638	0.06
477.1052246	0.13
488.2819214	0.10
495.4637451	0.09
505.0567017	0.09
510.3446045	0.91
543.4277954	0.29
563.3078613	0.12
565.3474731	0.24
589.0706787	0.07
591.4636841	0.08
593.3820801	0.09
607.0879517	0.70
607.9277954	0.15
610.2866821	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	454.2916
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
130.8931580	0.31
132.9586487	0.27
146.9871979	0.10
169.2212677	0.21
180.2875061	0.07
196.7120209	0.10
197.8881836	0.06
200.8415985	0.21
216.1036987	0.22
227.3282471	0.06
259.1527710	0.19
265.3328552	0.09
276.3653564	0.15
282.3301392	1.82
295.2288818	0.11
300.2489319	0.18
304.2424927	0.06
305.0787048	0.20
311.1734619	0.13
313.2908936	71.49
313.9547729	0.22
317.3219299	0.16
325.3053284	0.07
330.9779053	0.28
366.4841309	0.19
387.1577454	0.06
391.2279663	0.09
393.1631775	2.57
408.1208801	0.23
418.3802490	0.21
419.0750427	0.45
423.5894775	0.10
436.1870422	100.00
437.1093445	0.56
454.5325012	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1533
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
188.956131	0.05
216.9791565	0.23
243.3265076	0.13
245.1894836	0.14
256.1436157	0.12
257.0406494	0.11
258.1035767	0.06
267.085144	0.05
273.0895691	0.19
274.0764771	0.61
276.7209167	0.06
279.1611938	0.09
285.4234009	0.37
289.354248	0.23
300.2545776	0.05
302.0223999	3.92
317.0696411	100.00
317.6776733	0.48
329.3865967	0.11
343.4708862	0.07
353.0269165	0.06
359.3717041	0.14
371.3292236	0.07
382.3709717	0.10
386.8045044	0.07
397.3052368	0.04
430.0494995	0.25
443.1445312	0.08
463.1762085	0.10
471.1987305	0.07
476.6351318	0.24
491.6761475	0.16
565.4590454	0.18
574.828186	0.05
580.4936523	0.22
607.2053833	2.03
607.8583374	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	479.0829
Annotation	6-Hydroxytricetin 5-glucoside
Peak:m/z	Relative Intensity
137.2984009	0.05
150.9685974	0.93
153.0024872	0.12
162.7313538	0.02
169.0670471	0.18
177.1217346	0.15
179.0402222	3.16
180.1914825	0.16
188.9237366	0.22
190.8305359	0.08
192.0976715	0.17
193.0919495	0.10
195.0877075	0.08
200.9616699	0.06
205.5755005	0.18
206.2062836	0.02
207.0738831	0.24
208.1635742	0.08
209.0122833	0.17
215.5053253	0.04
219.2036438	0.06
226.9571381	0.09
229.0985718	0.12
231.1574249	0.03
233.0290222	0.29
234.9471130	0.03
237.2348938	0.05
243.1467590	0.02
244.9684448	0.29
247.1986694	0.13
249.1084900	0.03
251.1186218	0.04
253.3118286	0.33
255.3391418	0.03
257.0418701	0.06
258.3644409	0.18
259.0885925	0.36
262.8314514	0.21
265.3341064	0.07
266.8266907	0.04
270.1591187	0.05
271.0785522	0.98
272.0660095	0.02
273.2055969	0.12
275.3882141	0.01
278.7435608	0.03
287.1129456	0.23
288.1948242	0.12
289.0049133	0.18
295.0587769	0.06
297.1552124	0.14
298.0836182	0.01
299.2823486	0.25
300.9427185	0.28
303.4556885	0.03
309.2870483	0.02
311.1885681	0.04
312.1801147	0.03
313.1378479	0.21
316.0810547	100.00
317.1368713	70.56
318.1022644	0.22
321.8703613	0.03
323.2358093	0.06
327.0700073	0.30
329.1051025	1.34
330.2697144	0.03
331.2084961	0.09
335.2502441	0.18
341.0964661	0.62
347.0889893	0.25
353.0939026	0.84
357.1766663	0.13
359.1296387	2.28
361.1274414	0.03
367.0886230	0.03
368.6699219	0.05
369.2936401	0.18
371.1843872	0.13
375.1885986	0.18
381.3765869	0.06
382.9778442	0.03
389.2492065	0.40
401.2289124	0.18
405.4025269	0.02
417.4676819	0.09
419.2467651	0.11
424.9863892	0.14
433.2906189	0.18
435.2915344	0.06
443.0753479	0.06
461.1675110	4.19
462.2267761	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	651.1562
Annotation	Tricin 7-rhamnosyl-(1->2)-galacturonide
Peak:m/z	Relative Intensity
183.1543884	0.02
192.0648804	0.01
193.0424652	0.01
217.1858826	0.01
219.2113800	0.02
223.0890808	0.02
233.1764526	0.01
235.2337189	0.04
237.0912476	0.03
265.2404785	0.03
288.2391968	0.01
297.2095947	0.02
307.2346802	0.03
311.2272949	0.01
312.1269531	0.04
313.1744385	0.02
315.2233276	0.04
320.4353027	0.02
325.2153320	0.09
331.7641296	0.02
333.3912354	0.02
337.3602905	0.03
339.2277832	0.02
342.2185059	0.03
343.2595825	3.29
354.3012695	0.04
355.4522095	0.03
361.1688843	0.01
363.2473145	0.02
367.1532593	0.18
385.2269287	0.05
399.5101929	0.01
405.2961426	0.01
409.2193604	0.07
443.2770386	0.22
445.0670776	0.01
447.0787964	0.03
461.3538208	0.01
467.3470459	0.03
471.2926025	0.08
487.3211060	0.04
489.1835938	100.00
490.3607788	0.02
491.1296387	0.01
505.2533569	1.08
509.1983643	0.02
511.0028687	0.02
513.1790161	2.07
516.9887085	0.02
527.3530884	0.02
531.3020630	1.10
543.2124634	0.15
545.1645508	0.06
555.3052979	0.45
559.1713257	0.02
561.2339478	0.08
562.7624512	0.04
568.6487427	0.01
591.2296753	0.06
605.1416016	0.06
607.2302856	0.15
615.2485962	0.25
623.3648682	0.01
633.2510986	1.36
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
139.9295044	0.03
196.0749817	0.38
214.1613312	1.31
231.0292969	0.05
252.5132751	0.04
261.2587585	0.24
279.2402039	100.00
279.8412781	0.14
324.8482056	0.04
337.1862183	0.06
338.5257263	0.07
342.4415894	0.11
422.3809814	0.02
430.0489502	0.07
433.3383179	0.14
456.9127502	0.13
457.7548828	0.33
459.3912048	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
143.1444855	0.26
148.8732147	0.47
150.2210693	0.19
155.406189	0.13
165.1180573	0.36
167.0668945	0.24
169.0319672	0.20
178.3297424	0.65
182.9946136	0.67
193.0786133	0.55
195.0808411	0.46
197.0267792	0.09
205.2248993	0.19
206.3834991	1.63
207.1414948	2.47
208.1637878	1.04
209.2746277	1.81
221.1064606	0.16
221.9433441	1.91
222.9123383	2.99
224.0946503	0.14
233.3720551	0.26
251.0644379	100.00
252.1686554	18.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	667.1984
Annotation	Dicerandrol A
Peak:m/z	Relative Intensity
300.0633545	0.30
327.3110962	0.56
328.6179810	0.55
331.0756531	0.27
343.1575317	0.34
344.1403809	0.89
359.2103882	100.00
371.3894653	0.55
486.3212891	0.22
487.4656372	0.30
508.3579102	0.58
515.1975708	0.25
579.1436157	0.60
595.7044678	0.21
621.4946899	0.50
631.2749023	0.27
635.4589233	0.21
649.1037598	0.28
649.7426147	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	697.45
Annotation	Unknow
Peak:m/z	Relative Intensity
196.0409088	0.01
213.1431885	0.64
251.1224670	0.02
254.8272552	0.03
310.0581665	0.03
335.7962646	0.04
349.0221558	13.19
387.3191528	0.03
483.1267700	0.04
505.9400024	0.06
522.8701782	100.00
523.6843872	0.29
528.2067261	0.07
531.4376221	0.03
544.6959839	0.16
559.5377808	0.05
560.7412720	0.23
561.4293823	0.01
583.9231567	0.08
606.0651245	0.02
610.2942505	0.09
612.8657837	0.22
619.6206665	0.05
650.9083862	0.14
678.9846802	0.02
679.7890625	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.1431
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
169.0926971	0.06
174.9735107	0.23
213.2281189	0.05
229.0071106	0.06
253.2452087	0.26
259.3317871	0.12
270.8190918	0.31
287.0540161	100.00
287.6704102	0.19
288.4057007	0.04
291.4388428	0.22
305.2248535	0.32
309.3887939	0.20
311.352478	0.12
313.4841309	0.11
317.1385193	0.30
391.3450317	0.05
413.2471924	0.22
415.1890869	0.16
435.2562866	0.52
504.482605	0.32
505.5877075	0.24
533.921875	0.31
537.401001	0.23
548.3710938	0.17
553.4477539	0.29
575.2389526	0.22
577.2088013	0.65
577.8161011	0.19
580.6938477	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
200.1481934	0.39
218.0587769	0.33
218.6937256	0.26
224.1056519	0.08
254.5457153	0.10
274.0504761	0.30
274.942688	0.44
280.9629517	0.19
289.1072388	0.17
302.2150269	1.84
303.168335	3.30
313.2553711	0.28
317.0582886	89.19
318.0951538	100.00
327.6174316	0.45
394.3273926	0.25
419.4067383	0.33
426.4291382	0.17
430.2908325	0.30
517.9111938	0.38
527.8734741	0.29
539.28125	0.59
546.3630371	0.60
569.2190552	0.45
580.5546265	0.27
593.5216675	0.20
608.2711792	0.93
617.6428833	1.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	449.1083
Annotation	8-C-Glucopyranosyleriodictylol
Peak:m/z	Relative Intensity
149.0822449	0.21
175.1898956	0.11
177.1350098	0.05
179.1290588	0.64
180.2323914	0.10
181.0243225	0.18
190.9123383	0.07
198.9567413	0.16
201.1057739	0.35
207.3661499	0.03
212.8871155	0.04
214.9353943	0.32
219.2625427	0.12
223.1271667	0.07
225.1718750	0.05
227.0547791	0.16
229.0765686	0.08
240.9130859	0.08
243.1310425	1.23
259.0687256	38.82
267.4587097	0.22
269.0525818	31.84
272.0657959	0.10
283.1882935	0.29
285.2236023	0.12
287.0848999	100.00
287.7218628	0.43
289.3534546	0.09
293.0572815	0.13
295.3548889	0.05
305.0382690	0.14
311.1729126	1.08
313.4270020	0.06
324.2366943	0.12
329.0072021	0.14
341.2215881	0.05
342.2224121	0.84
353.3087769	0.19
358.8123779	0.11
373.1580200	0.34
383.1765442	0.07
386.8630676	0.09
387.6297607	0.03
390.9839783	0.06
393.2393494	0.06
401.2907410	0.16
403.2910461	0.07
405.4407043	0.29
413.0641479	0.05
414.4130554	0.18
421.3368530	0.62
431.1390686	3.79
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	697.22
Annotation	Unknow
Peak:m/z	Relative Intensity
196.0783234	0.25
213.2009583	1.07
251.1417999	0.47
348.9789429	12.26
522.9257202	100.00
561.0734863	0.31
609.6520996	0.31
612.6158447	0.31
618.1039429	0.30
650.4185791	0.07
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
74.0176849	0.01
89.1078491	0.01
92.8106995	0.01
105.8374329	0.01
122.7986603	100.00
123.6520386	0.02
133.0419922	0.13
138.9071808	0.02
145.0247650	0.10
147.0283356	0.05
151.1709747	0.03
165.8430786	0.01
189.0299225	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	6-Methylflavonol
Peak:m/z	Relative Intensity
76.97615051	0.59
81.00895691	0.96
82.91951752	0.74
84.08363342	0.34
84.84683228	0.22
95.07409668	1.47
97.00338745	0.45
99.15087891	0.64
102.9771881	0.60
104.9136963	1.49
107.0197296	0.48
109.0440826	0.76
112.5713501	0.58
119.0979614	0.49
121.0492249	1.56
122.9594727	0.39
125.087265	0.28
126.940033	1.03
128.9624786	6.05
130.1325684	0.53
130.9606476	0.24
133.0393219	1.26
135.149704	1.06
137.0709534	0.37
139.1343842	2.11
141.0480042	2.03
142.1144257	0.27
143.1611481	0.55
145.2279205	1.52
146.9412079	0.54
149.0615997	0.41
150.9348602	67.33
151.9020386	4.03
154.1630402	0.24
154.9647064	1.54
157.1239471	0.44
161.056076	0.87
162.0439911	0.53
163.0546417	0.37
165.1305542	0.74
166.0240784	0.54
167.0058899	2.71
168.0679474	0.49
169.093277	1.58
171.1776276	0.19
175.1516418	1.02
176.7470703	0.49
179.1236572	3.43
180.2575378	0.42
181.0584106	0.43
182.1645813	0.35
183.0563507	1.79
185.153183	1.06
189.9719086	0.22
193.0730438	2.48
193.9532318	0.83
195.0404053	1.94
197.156311	3.19
199.1664276	0.49
204.6958466	0.18
206.9472504	1.66
208.7960968	0.93
209.9943848	0.22
211.1917572	0.83
212.0959015	0.32
217.1121368	9.30
218.7909088	0.24
223.0928192	0.70
224.0884705	1.94
225.0969086	8.89
226.0331421	0.96
235.1185303	12.94
238.1188812	5.52
239.0421295	1.26
251.029541	1.69
253.0789795	100.00
254.0501556	11.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	306.136
Annotation	Unknow
Peak:m/z	Relative Intensity
86.8819122	0.09
87.9813538	0.18
89.8368225	0.07
90.8983841	0.37
92.9510193	1.17
94.7504501	0.05
99.1661835	0.36
104.8662567	1.97
106.9830475	5.08
109.0662079	0.51
121.8393784	93.16
122.9687881	22.65
125.0296478	0.62
127.0872650	0.12
128.0650635	0.27
130.9963226	1.83
139.0333099	0.19
140.9812012	4.39
143.0488129	0.21
143.8097534	0.19
145.9881897	0.09
146.9880371	0.69
149.0180817	23.14
153.9150085	0.10
165.2250366	1.37
167.0566406	86.97
170.3340149	0.11
178.1673584	0.15
182.9135742	0.96
184.9324951	100.00
186.2630310	0.14
192.1895752	0.20
197.8767090	0.46
199.1528931	0.52
200.2874451	0.20
201.0839233	1.54
202.1376648	0.18
203.2261658	0.13
215.0772705	0.07
216.0368652	0.10
227.0982056	0.12
228.0781860	0.13
235.1234131	0.09
239.9558716	0.21
241.0037231	0.16
242.3977661	0.19
243.1676636	0.79
244.1604614	0.28
245.9514160	0.23
252.2687378	0.07
257.0389709	0.49
260.0473022	0.69
261.0176392	0.98
264.9717712	0.36
269.3439941	0.32
269.9678040	0.74
270.9788513	0.72
272.0233154	0.11
275.9236145	0.05
278.3983459	0.45
281.8848877	0.46
285.4892578	0.32
288.0861206	27.04
288.9598999	5.68
289.5880127	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
97.01822662	0.29
97.81597137	0.12
103.0070801	0.06
104.980423	0.16
107.0613098	2.15
109.0116882	2.69
111.0071106	0.38
112.7738571	0.09
115.1404877	0.11
116.8140717	0.64
120.9196472	4.09
123.1101532	1.48
124.8496704	0.10
126.4750366	0.25
128.9492188	0.36
130.9661102	0.71
132.9915771	1.56
135.0205078	2.84
136.8446655	0.07
141.150589	0.13
143.0603027	0.78
145.1293945	0.49
146.9417114	3.37
148.9675903	1.00
151.0237122	0.59
155.0920715	0.45
156.9774475	1.05
158.9871216	1.10
161.0317688	1.64
163.1680908	1.38
165.073761	1.54
165.8542938	0.38
168.9653168	1.76
173.0828247	2.51
175.1372375	1.39
177.07901	0.60
177.9816284	0.07
179.1149139	0.14
181.0536041	0.34
183.1787415	0.25
184.6246185	0.37
187.026413	0.82
189.1872711	0.82
191.1765137	0.47
193.0901489	0.33
195.1580505	0.09
201.1783905	0.20
203.0036469	0.81
205.3537903	0.19
207.1529236	0.26
209.2723083	0.07
211.0239258	0.83
213.0819092	0.54
214.1397705	0.16
217.2369995	0.67
218.8543701	0.29
221.206604	0.18
223.3001099	0.28
227.01474	0.56
228.171051	0.29
229.1670532	1.37
231.1549988	1.91
233.1117249	0.12
235.2648621	0.80
237.1838379	0.12
238.1249084	0.13
239.1265564	0.27
241.0024414	0.34
245.2276306	1.81
247.2272339	4.79
251.1732483	1.75
252.6234741	0.88
253.3133545	0.52
254.0761108	0.09
255.3797302	0.52
257.2390137	0.44
257.947876	0.19
258.9519653	0.33
259.7080688	0.25
261.5679932	0.63
262.8010864	0.10
265.0646362	0.78
267.3195801	0.29
269.453949	0.49
270.9126892	0.11
277.5307617	0.57
281.1533813	0.87
283.3311462	1.06
285.1922302	0.45
287.5698853	0.54
292.3391724	0.24
294.0741272	0.07
295.2306519	1.27
297.0565186	0.52
299.256958	2.40
299.9821167	0.08
303.5499573	0.07
305.0999756	3.58
306.3966064	0.08
313.3186035	1.34
323.234375	100.00
323.9091187	1.18
325.0455322	0.25
332.1657715	0.50
332.8117065	0.23
341.049469	1.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
101.0676193	0.07
107.0296707	0.65
109.0837402	1.26
110.8477173	0.23
113.0683289	0.36
114.9741821	0.06
116.9854507	0.54
119.1327209	0.03
120.9822617	3.30
122.9844742	0.58
124.9115982	0.88
128.9680023	0.20
131.0268555	0.27
132.9277954	1.00
135.1281586	3.38
136.9668427	0.56
139.0406799	0.32
143.0050659	2.16
143.8951111	0.20
145.2304993	0.11
146.9596863	1.53
149.0280457	1.77
151.109436	1.05
153.0823364	0.36
154.9120789	0.41
156.9838867	1.39
158.9358521	0.84
161.0129547	1.31
163.0319672	0.73
165.1069946	0.95
165.9508057	0.32
166.9874725	0.19
168.0568848	0.17
169.0366516	1.31
170.9983521	0.29
173.0467529	2.02
175.0549622	1.03
177.054245	0.97
178.9975739	0.41
181.1524506	0.18
183.1373596	1.64
185.0436554	0.95
187.1484985	1.16
189.0214233	1.24
191.0646667	0.88
193.1934967	0.22
195.0832367	0.69
197.0067749	0.74
198.9920044	0.20
201.2732086	0.63
203.04245	0.56
205.1622925	0.99
211.0741272	0.50
213.0164795	0.70
214.0026855	0.29
215.0970459	0.32
217.1433411	0.76
219.4076538	0.07
221.2284241	0.07
223.1812744	0.77
225.3518982	0.24
226.974762	0.12
228.2138062	0.14
228.9862366	0.79
231.182251	2.11
233.1148987	0.36
235.6734619	0.06
237.0361633	0.07
239.1087036	0.37
241.1605835	0.98
242.2596436	0.20
243.085968	0.24
245.1681519	0.90
247.2134399	6.35
249.1659851	0.28
250.5450745	0.51
251.3163452	0.24
253.1081238	0.22
254.9967651	0.47
257.446106	0.26
259.1951294	0.57
261.1278076	0.17
267.053772	0.28
269.4094238	0.41
270.3770447	0.14
271.2601929	0.61
272.8731689	0.13
277.2426147	0.44
279.2548218	0.33
281.2044067	0.32
282.2333374	0.09
283.2128601	0.20
285.3115234	0.10
287.1066895	0.12
293.4538879	0.27
295.2826233	1.47
296.6013184	0.17
297.3049011	0.07
299.303894	1.95
299.9805298	0.22
301.0768127	0.10
305.1975708	3.34
307.204895	0.07
309.4545898	0.11
310.6013794	0.31
311.5771484	0.17
313.348999	1.06
314.2299194	0.22
315.4614868	0.29
319.2483521	0.05
323.2429199	100.00
323.9022827	0.77
331.6605225	0.38
332.3048096	0.47
333.1295471	0.35
338.9944153	0.06
340.215271	0.16
341.0332336	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	626.16
Annotation	CHEBI:75708
Peak:m/z	Relative Intensity
195.25	0.21
201.7573547	0.14
228.9576416	0.11
230.2681885	0.12
232.1252136	0.51
246.0194855	0.15
274.1905518	0.36
275.1101074	0.54
284.1009521	0.22
301.3154907	0.27
302.2207642	2.12
303.041687	2.58
315.2312012	0.21
317.0606689	87.95
318.100769	100.00
325.1104126	0.11
345.244812	0.08
420.4680176	0.12
448.5630493	0.08
461.5605469	0.14
463.177063	0.76
464.0618896	0.38
521.3676758	0.09
544.293457	0.07
549.0010376	0.19
553.9222412	0.47
595.9777222	0.22
597.3040771	0.19
601.9333496	0.14
607.4518433	0.21
608.4497681	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1522
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
203.0874481	0.06
210.7875824	0.02
213.9390411	0.02
218.144043	0.06
228.0374908	0.02
229.0741882	0.13
244.8705902	0.04
245.940155	0.16
256.9213867	0.20
271.2485046	0.10
274.1853943	0.48
284.2338867	0.12
285.2609253	0.10
289.09198	0.02
297.290802	0.09
301.996521	2.97
312.8742676	0.02
317.0664673	100.00
317.80896	0.32
327.4754028	0.03
343.3834839	0.05
357.413147	0.06
359.3068237	0.04
369.0100098	0.02
383.2094116	0.02
385.0505371	0.02
390.97229	0.03
403.1661377	0.02
444.0690308	0.09
457.3406982	0.04
461.1898804	0.05
463.315979	0.16
477.3605957	0.03
481.5021362	0.03
485.6915894	0.09
490.232666	0.18
499.1276245	0.04
528.2630005	0.04
535.4432983	0.02
565.6751709	0.04
584.2556763	0.04
585.3059692	0.14
589.576416	0.18
595.2061768	0.04
604.4071045	0.17
606.9859009	0.03
607.5910034	0.05
625.2781372	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	226.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
70.7825165	0.09
93.0746918	0.14
97.0946503	0.05
100.0295563	0.05
104.7581940	0.07
106.1846008	0.07
107.1239166	0.21
109.0615082	0.12
119.9988403	0.29
124.9021759	0.05
130.1637421	0.04
135.0594482	0.09
138.1091461	0.12
144.9886322	0.48
147.9921875	0.09
154.0572052	0.05
161.8010864	0.03
162.8808594	2.51
163.8526764	0.08
165.9721832	0.06
170.4627533	0.02
178.1141968	0.04
179.9651337	100.00
180.9708252	0.04
183.1242218	0.18
184.9835205	1.15
189.8720856	0.12
191.1162109	0.05
195.1119843	0.09
195.9886322	0.12
197.0247803	0.21
197.9591675	0.26
203.1417389	0.12
205.2003937	0.08
205.8287811	0.04
208.0648499	2.50
208.9393463	4.72
211.2571564	0.09
216.9713898	0.08
225.8541718	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	267.2679
Annotation	(9Z,12Z)-Octadeca-9,12-dien-1-ol
Peak:m/z	Relative Intensity
77.17565918	0.14
79.05244446	0.29
80.93470001	17.44
81.90776062	0.45
82.89193726	22.06
84.09188843	0.33
85.06224823	1.09
93.01712036	0.71
94.9034729	41.46
95.51999664	0.40
97.02824402	25.77
99.02536774	0.38
106.8462982	0.51
109.078537	38.10
111.0396729	18.20
115.1971588	0.79
116.9445038	0.25
118.1979828	0.16
118.8944702	0.40
120.8994446	0.82
123.0320587	23.93
125.0303955	5.91
127.0860748	0.43
128.7992096	1.30
131.0215607	0.21
135.0295868	0.57
137.0697021	19.06
138.9872894	3.42
140.8233643	0.66
141.96698	0.17
147.2208252	0.28
149.3868866	0.89
151.0793457	14.94
152.5144806	1.97
153.1444855	3.17
155.0900421	0.42
157.1378632	0.67
159.3883209	0.26
160.9693604	0.31
163.1805878	0.19
165.1506958	12.84
166.5334778	0.76
167.1363373	2.95
168.9204254	1.60
170.9801483	6.93
178.1243591	0.19
179.0870056	7.90
180.9046173	0.10
183.1464233	0.73
185.1613007	9.55
187.2500763	0.40
191.1065369	0.56
193.1885681	6.02
193.8880615	0.42
197.0311737	0.56
205.1903229	0.45
207.2828217	0.78
209.272934	0.93
211.0124054	2.26
213.1468353	0.39
217.4023743	0.28
219.1809692	0.16
221.2059479	0.96
223.3437805	2.43
225.3084564	2.84
226.1656036	0.58
228.5601959	1.03
231.1281281	1.83
236.8139191	0.19
238.1772614	0.08
239.0210571	0.71
247.3741455	0.20
249.2590179	100.00
251.0693207	4.06
251.9871979	0.46
269.0612793	1.31
278.8964844	0.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1526
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
190.0538635	0.06
203.1152954	0.35
219.3537903	0.13
227.8849335	0.05
229.0984192	0.19
246.2041321	0.53
256.1102905	0.21
273.9996948	0.66
274.9844666	0.10
284.0858154	0.13
302.1356812	2.96
303.0543213	3.71
317.0700684	100.00
318.1644287	94.82
319.4333801	0.60
347.796875	0.09
349.9177246	0.09
398.2606201	0.15
444.25177	0.12
471.5161133	0.24
472.3209839	0.44
478.0501709	0.41
480.067749	0.32
481.253479	0.26
483.2896729	0.24
570.7585449	0.42
590.8084106	0.34
608.5845337	0.77
610.9817505	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	479.12
Annotation	Pedaliin
Peak:m/z	Relative Intensity
227.2240906	0.07
257.0643921	0.15
272.8469543	0.06
283.2932739	0.18
290.4490356	0.03
294.9137878	0.06
298.9025879	0.16
301.4562683	0.03
313.0640259	0.03
315.3148193	0.13
317.0993042	100.00
345.9389954	0.04
359.2149353	0.04
361.1559143	0.19
366.5885925	0.10
403.2148132	0.08
404.5364075	0.04
406.2992249	0.03
417.3638611	0.27
419.0667419	0.08
420.2041931	0.09
434.3829346	0.35
435.5182800	0.04
442.5548096	0.16
461.2987671	0.72
469.6231384	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	799.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
227.1435699	0.08
237.3930511	0.03
255.1761475	0.39
257.2932129	0.09
270.1048279	0.18
271.2834473	0.21
279.2911377	0.05
281.1552429	0.03
284.2033997	0.05
285.2485046	0.15
285.9560242	0.03
286.6707153	0.06
288.1795349	0.06
298.0316467	0.20
299.2495117	0.52
300.9494324	0.11
303.0781250	0.05
304.9928284	0.05
306.0019531	0.03
313.4155884	0.84
314.1725464	0.77
315.2082825	0.42
328.0114441	0.08
329.2149658	14.37
331.1387939	0.47
343.2846375	0.24
353.1525879	0.17
357.2834473	0.02
369.1071472	0.19
371.1677246	0.21
395.1865234	0.46
413.2433472	0.23
455.2239990	0.18
473.2850342	0.19
474.0471802	0.09
477.5668945	0.05
487.3633423	0.11
489.8963013	0.05
491.1921997	30.81
492.9395142	0.08
499.6153564	0.07
541.4415894	0.07
555.3818970	0.10
587.1958618	0.04
593.2619019	0.09
609.1149292	0.10
617.2799072	0.17
619.2792358	0.22
634.9931030	0.19
637.2551270	100.00
640.2811279	0.05
655.3881226	0.07
679.5065308	0.20
709.3660278	0.41
712.9564209	0.10
721.2175903	0.26
723.0991211	0.03
762.4650269	0.16
767.3325195	0.37
781.3680420	0.30
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
92.94448853	0.06
98.84900665	0.15
101.0467834	0.06
113.0987854	0.04
127.0630035	0.06
137.3278656	0.05
139.1137085	0.06
145.0069885	0.24
154.9514923	0.03
165.02565	0.05
166.8899994	0.07
171.1018677	0.21
173.0726929	0.04
175.2985535	0.11
181.1833191	0.48
187.4993896	0.07
188.9428253	0.20
197.098053	0.04
199.0637054	0.07
200.1600189	0.05
201.1425934	0.56
215.2581177	0.15
217.0704956	0.54
219.0256348	0.07
220.9763336	0.09
223.2574158	0.04
225.1690521	0.43
233.2924347	0.05
234.2159576	0.07
243.1421051	100.00
245.1492767	2.92
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
90.54892731	0.06
92.88043213	0.04
94.80125427	0.26
97.19356537	0.09
106.9730835	0.03
109.2234802	0.12
111.0683365	0.20
112.9298553	0.04
115.1720963	0.07
121.1065674	0.30
123.0982742	0.05
125.0537949	0.06
127.1996307	0.08
129.225769	0.03
135.2030487	0.23
137.0644531	0.24
139.066803	0.05
140.8405762	0.04
148.0387878	0.11
149.1113892	0.34
151.2263184	0.10
161.313385	0.07
163.0223694	0.02
165.0053253	0.05
167.0709534	0.12
171.2263947	0.14
177.025589	0.02
179.4289856	0.03
182.846756	0.04
184.3344421	0.04
195.187439	0.04
198.3649445	0.07
199.1886597	0.06
201.2001648	0.08
210.8790283	0.25
212.847229	0.06
221.2260437	0.16
225.1686707	0.14
226.2354431	0.19
227.2315674	0.03
235.2598267	0.31
236.3651733	0.03
238.2626343	0.05
239.1401672	0.11
241.1947021	0.04
247.1947632	1.29
247.8492432	0.05
252.2021484	0.81
253.2130127	0.31
254.2151489	0.18
256.2932739	0.18
264.5020142	1.92
265.3657227	2.51
269.4179993	0.07
270.2863159	1.84
270.9294434	0.02
277.0336914	0.06
282.22995	40.95
283.2649231	0.41
286.9655151	0.07
300.2834473	100.00
300.9417114	0.33
309.6678467	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	631.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
223.1014862	0.12
235.2103577	0.09
252.1747131	0.24
263.0608521	0.44
264.2476807	0.05
278.9990234	0.82
280.1917725	0.58
293.8558655	0.23
306.4326172	0.05
307.1756592	1.98
308.1116943	16.21
322.1650391	2.89
323.0919189	100.00
343.4057617	0.05
353.3489990	0.06
395.0736084	0.24
399.1853638	0.06
428.0836182	0.04
433.3302002	0.32
447.1260986	0.11
451.4578857	0.21
455.0593872	0.06
467.1365967	0.12
469.2077637	0.06
485.4378662	0.34
486.1875610	0.05
499.3524780	0.29
502.8092651	0.12
510.1594849	0.10
513.4473267	0.12
520.0737915	0.38
544.7702026	0.28
545.3922729	0.09
550.0978394	0.14
585.2205200	0.05
587.3289795	0.31
595.3779907	0.05
601.2333374	0.21
613.4199829	0.56
616.2248535	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
101.1209259	0.06
102.9280167	0.12
105.1595383	0.31
106.9658051	1.33
109.0078812	2.77
110.9713058	0.32
112.9394989	0.05
116.9915771	0.21
119.0502319	0.16
121.0493546	2.52
122.9357605	0.95
124.9529877	0.18
126.8649292	0.15
128.9820251	0.14
131.0310822	0.95
133.0480042	0.61
135.0468903	4.78
137.0621338	0.56
141.1091614	0.08
142.9844055	0.83
145.1500244	0.36
147.0564728	3.30
149.1793671	2.56
151.0911255	1.00
152.3733521	0.13
153.1279297	0.12
155.1340332	0.20
157.0371399	1.02
159.0396118	0.31
161.0207825	2.90
163.1024323	0.98
165.092041	0.34
166.1439972	0.17
169.0218506	0.34
169.7205505	0.04
171.0128326	0.77
173.0597534	0.84
175.0725098	2.46
175.7784882	0.09
177.0663452	0.78
179.0848083	0.16
180.0418091	0.15
182.9854279	0.51
183.7766571	0.06
185.050354	0.30
187.0988464	0.51
189.0919952	0.88
191.1568909	0.40
191.9102936	0.03
193.4029541	0.11
195.1271362	0.05
195.7959595	0.03
197.0349731	0.44
199.1364746	0.06
201.0888977	0.57
203.1831207	1.02
204.9389648	0.35
206.4216766	0.04
207.0732269	0.08
208.2038269	0.04
209.2457581	0.43
210.0026855	0.03
211.0037231	0.56
215.1767578	0.82
217.1817627	1.50
219.1416626	0.32
223.3371582	0.43
224.9680176	0.06
227.2840881	0.10
228.4562988	0.08
229.1564941	0.59
231.0984802	1.16
233.2262573	0.11
234.1582642	0.06
235.0686646	0.18
237.1210327	0.04
238.9751587	0.17
240.8519592	0.11
241.5303955	0.13
243.2641907	0.05
245.157959	1.02
247.2254333	7.68
248.3855286	0.04
249.3396301	0.05
251.2897949	0.77
253.2758179	0.18
255.2653809	0.30
257.0930176	0.29
259.0887451	0.88
263.4288025	0.19
264.8508301	0.12
266.3765869	0.07
267.2430115	0.26
268.8535767	0.12
269.5325623	0.06
271.2604065	0.40
273.3849792	0.07
277.2928162	0.08
279.1551208	0.30
281.2635498	0.31
283.5449219	0.08
285.270874	0.79
287.4468994	0.37
295.2484741	0.77
297.169342	0.23
299.1444092	2.09
300.1896973	0.18
301.0216064	0.05
305.3127136	2.03
305.9702454	0.08
307.2380981	0.02
308.7412109	0.18
309.4863892	0.09
313.1347046	0.88
323.2363281	100.00
324.1030273	0.03
336.6213989	0.02
341.3434143	1.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1526
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
192.1341858	0.15
195.1752777	0.15
245.0626526	0.11
255.6929932	0.17
257.010376	0.19
274.0962219	0.68
287.2610474	0.14
298.9039612	0.06
299.8334961	0.04
301.0007629	0.41
302.1356201	3.66
309.2502441	0.17
313.8654175	0.07
315.1403198	0.05
317.0629272	100.00
318.0806885	0.23
321.1878967	0.08
359.0692749	0.10
379.0467529	0.04
381	0.15
397.230957	0.07
441.0741577	0.04
442.5834351	0.15
450.4678955	0.14
463.0744629	0.37
479.1934814	0.04
511.177063	0.09
533.3791504	0.05
539.7374878	0.12
554.953064	0.34
565.1537476	0.07
565.7642212	0.06
571.3754272	0.10
591.1530151	0.13
593.3297729	0.05
597.2208252	0.04
603.5560303	0.33
606.9609985	0.31
607.7165527	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1531
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
245.2081604	0.09
256.1477661	0.07
271.4126892	0.08
274.0495605	0.56
283.2661743	0.26
299.2471313	0.33
300.9935913	0.31
302.1972656	3.78
317.0681763	100.00
317.6970215	1.23
318.416626	0.23
327.3701782	0.23
328.5158081	0.20
339.4968872	0.08
352.6849365	0.11
357.3813477	0.20
365.3835449	0.20
403.296936	0.22
433.4078369	0.21
435.6235962	0.11
449.2639771	0.15
463.2168579	0.42
475.5980225	0.18
478.5349731	0.25
481.3816528	0.12
508.1813354	0.23
517.4788208	0.08
549.6119995	0.43
550.5098877	0.23
565.883728	0.12
567.2252808	0.33
577.6503906	0.07
591.8773804	0.21
598.0645752	0.21
607.4680176	1.89
608.1189575	0.33
626.5892944	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
192.0451965	0.04
201.8929291	0.08
217.0009308	0.03
217.8877716	0.08
244.9450226	0.06
246.1884766	0.08
256.1391907	0.06
257.0371704	0.08
267.1539307	0.06
274.0236206	0.39
283.9984131	0.04
285.0862427	0.09
302.0985718	3.60
317.0715942	100.00
317.6948547	0.56
444.1323853	0.05
463.2339478	0.27
484.3977051	0.04
499.6843262	0.13
570.1951904	0.11
593.4837036	0.18
596.9750977	0.06
607.3759766	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
176.8353424	0.31
218.1182861	0.31
228.2800598	0.37
236.0475922	0.23
255.1318359	0.21
269.115448	0.36
294.3980713	0.31
302.119751	4.36
302.9555664	2.05
317.0688477	94.27
318.1912231	100.00
336.1275635	0.15
343.2296753	0.45
351.2207642	0.36
379.6193237	0.20
398.5611572	0.22
444.0632324	0.41
446.0872803	0.26
468.1137695	0.36
502.4036865	0.68
522.5839233	0.19
542.1702881	0.83
590.5591431	0.42
608.2538452	2.00
626.9891968	0.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	787.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
219.1956787	0.10
222.9993744	0.03
227.1631165	0.06
229.0578918	0.20
231.1594543	0.61
238.1583252	0.07
255.2599182	0.03
256.1563416	0.03
258.0997620	0.06
263.2080383	0.02
265.0859680	0.06
271.1107788	0.11
272.2246704	0.02
273.2675781	0.34
275.1777344	0.07
281.2022705	0.03
284.0974426	0.90
287.1717529	0.04
289.2185669	0.10
291.3703613	0.12
297.1272278	0.10
299.2102661	4.38
306.2468872	0.05
310.2601013	0.07
313.2786255	0.12
315.1644287	0.03
315.8809204	0.06
317.1099548	9.75
323.0778809	0.14
325.2739258	0.08
329.2240601	0.10
341.1524048	5.30
353.1660156	0.06
355.0921631	0.15
357.4155273	0.03
365.3001099	0.59
371.3228149	0.76
383.1400146	0.26
425.1189575	0.42
443.3053589	0.14
449.2200317	0.02
461.2378540	1.98
465.3162842	0.04
475.2177124	0.50
479.1969604	100.00
489.3224487	0.94
498.0467529	0.03
501.2738037	3.91
525.2218018	0.56
539.4235840	0.04
571.2902222	0.02
607.1691284	13.17
625.2161255	30.05
627.3023682	0.05
631.1718140	0.15
645.3213501	0.24
648.6098022	0.11
649.2433472	5.27
663.1802368	3.08
667.3436890	0.11
679.1719360	0.41
691.2229614	1.15
695.3033447	0.05
725.2756348	0.05
751.1731567	1.64
769.1968384	7.67
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
83.01722717	0.05
97.0605545	0.26
99.97994995	0.19
107.9913025	0.03
109.0983887	0.98
111.1279678	0.02
120.9998474	0.10
123.1005096	0.67
125.05336	3.34
126.0656738	0.24
126.9458542	0.24
131.0956421	0.03
134.9463348	0.38
136.9735413	1.88
139.0900421	0.17
144.9899902	0.27
148.8870239	0.10
151.0223389	1.55
158.9972382	0.93
161.1730347	2.26
162.0041962	0.39
163.059021	0.27
163.9214783	0.56
165.099823	2.79
167.0832367	1.45
172.8772736	0.09
174.9964294	0.64
177.0820312	0.06
179.0944977	11.58
185.1275787	0.49
186.1121674	0.31
187.0307465	0.89
188.0046997	0.79
191.0310364	0.08
199.0837097	0.06
201.0194702	0.30
203.068634	8.17
204.995575	32.48
208.8357239	0.12
211.2166748	0.06
211.8396301	0.01
212.8331909	0.03
215.2351685	0.04
217.1136169	0.96
221.1459045	0.08
227.1260986	2.62
229.1755981	0.53
231.0389099	6.22
232.7782288	0.10
242.9275208	0.23
245.0888977	100.00
245.7153931	0.20
247.1343384	5.94
253.1350708	0.60
255.3701782	0.28
261.0513916	0.10
271.2080688	7.65
288.7713013	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	194.9465
Annotation	Unknow
Peak:m/z	Relative Intensity
78.8974304	0.08
96.9090729	5.94
130.9302521	0.02
148.9383392	0.01
150.8187408	0.01
159.0107880	0.04
176.8622589	100.00
177.8748322	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.07
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
86.88027954	0.94
95.07388306	0.41
97.04426575	1.15
101.1373291	1.52
105.2433319	0.33
138.9047852	0.43
161.2238312	1.80
165.2699432	0.26
169.407608	0.75
172.848526	0.80
173.969986	1.43
177.3478851	0.72
179.0744019	3.55
181.0026093	1.19
188.8999176	1.96
190.7141266	0.36
192.1916656	1.52
203.1911163	1.06
204.9227905	3.58
206.8491669	5.59
207.4677277	1.45
209.2661133	2.56
220.9318848	1.60
222.0963898	0.88
223.0953369	4.60
233.1254425	8.86
236.1409149	0.67
251.0653076	100.00
252.132309	32.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1534
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
200.9559937	0.10
230.7077332	0.11
257.118042	0.08
261.2318115	0.28
274.1463623	0.13
286.2937012	0.20
299.1693726	0.25
301.1497192	0.49
302.1087036	2.70
317.0714722	100.00
317.9289551	1.08
363.6954346	0.06
396.4505005	0.13
403.3344727	0.09
408.2539062	0.12
414.321106	0.23
428.8655396	0.07
444.3233643	0.29
463.2039795	0.88
467.095459	0.10
471.2973633	0.20
493.5720825	0.18
525.4849243	0.12
527.1798096	0.17
535.1255493	0.06
553.5706177	0.09
566.6194458	0.04
595.1436157	0.06
597.5236206	0.34
606.8121338	0.41
607.5219116	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1735
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
214.2223053	0.05
258.1338196	0.05
268.2398376	0.02
286.0969543	0.82
293.4044189	0.03
301.0936890	73.28
301.7096252	0.38
445.2041626	0.33
463.0964355	100.00
493.3031006	0.05
495.0524292	0.03
503.2750854	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.16
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
174.1406097	0.25
175.9825897	0.13
200.9143677	0.21
217.2654572	0.32
229.33078	0.05
249.351944	0.03
255.4268646	0.10
258.3100586	0.54
259.3263855	0.07
282.8990479	0.12
286.1112671	4.80
301.0743408	100.00
301.6759644	0.25
302.3831482	0.04
303.2674561	0.18
307.40979	0.06
310.2280579	0.20
312.6274414	0.05
314.9100647	0.07
338.8305054	0.07
343.067627	0.15
353.2044067	0.35
375.0609131	0.08
419.21698	0.06
429.5135498	0.26
447.2318115	0.14
459.1383667	0.19
464.4342041	0.44
511.2764893	0.24
519.5692139	0.31
534.9728394	0.15
542.6498413	0.06
553.126709	0.21
562.8025513	0.07
565.1109619	0.17
576.3673096	0.07
577.4904175	0.07
589.1273804	0.23
590.7657471	0.99
591.4614868	0.63
609.81073	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	339.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
110.9827652	0.35
117.9451447	0.13
129.9989319	5.06
144.1416016	0.53
160.8157654	0.72
172.0111542	5.93
181.3893738	0.24
190.0041504	100.00
205.0141907	0.25
225.1586304	0.13
226.9783936	0.40
235.4345703	0.50
248.2943726	0.72
261.1138916	0.22
265.1824951	0.16
297.8892822	0.67
304.1148682	0.12
308.1714478	0.43
308.8627014	0.13
310.9887085	0.24
317.9339600	0.58
320.8840332	3.53
326.3474121	0.46
330.7985840	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	158.98
Annotation	Unknow
Peak:m/z	Relative Intensity
58.9302025	0.05
70.8790970	0.27
75.0522842	0.10
85.0410614	0.17
97.0977020	0.22
98.9485016	0.12
102.7732086	0.09
113.0004578	0.72
114.8707886	100.00
115.5963898	0.06
128.9977417	1.23
130.9397125	5.93
140.9607086	1.02
158.8468781	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	259.0918
Annotation	Ribothymidine
Peak:m/z	Relative Intensity
83.9792175	1.11
96.8133774	0.04
99.2271347	0.01
102.0860291	0.01
127.8454132	0.01
129.9547424	100.00
130.7058868	0.00
145.9635620	0.07
147.6348419	0.00
159.8495331	0.00
175.1911621	0.01
185.3440552	0.01
199.1538391	0.03
203.2850494	0.03
213.0461578	0.12
223.2217865	0.01
224.0648651	0.01
240.9177856	0.02
241.5578003	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
209.9578552	0.05
228.058075	0.06
245.2716522	0.35
255.0468903	0.04
257.062439	0.18
263.3428345	0.08
265.2897949	0.03
273.2719421	0.07
274.0058899	0.22
300.0872803	0.03
302.0679321	3.57
309.2908325	0.28
317.0651245	100.00
317.6673889	0.21
359.0617065	0.11
363.5511475	0.12
365.3412476	0.03
397.4429932	0.08
437.3996582	0.12
440.0620728	0.18
463.0819092	0.15
466.177002	0.06
483.5231934	0.04
495.1102905	0.17
515.2267456	0.09
553.0999756	0.06
557.4646606	0.14
559.7809448	0.18
589.3887939	0.06
590.6265259	0.23
594.1290283	0.14
606.4054565	0.29
607.4169312	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	605.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
173.0242920	2.35
177.2734070	0.21
189.0166779	0.50
191.0146332	0.13
193.1410065	0.13
199.0150757	0.08
203.1873627	0.31
205.0879669	1.47
208.9694366	0.11
215.0572815	2.59
216.5714722	0.15
221.1187744	0.86
227.0072784	0.26
232.6889496	0.32
245.1108093	1.69
247.1309509	2.14
251.2656403	0.30
263.1644287	1.04
263.9049988	0.12
265.0344238	13.12
269.3823547	0.30
277.1171570	0.23
280.8875732	0.23
283.1954346	12.26
310.7803345	0.20
317.0631104	7.09
317.9647522	0.12
329.1663208	6.90
331.3068848	0.13
343.4505005	0.10
347.1893311	0.21
349.2212524	1.08
353.3039551	0.20
359.3478394	1.14
361.2141724	0.34
363.1373901	0.20
377.0621338	2.30
379.3200073	0.09
381.3005981	0.07
393.1734619	0.23
397.1763306	9.40
409.2092896	0.17
411.0653076	0.36
412.9497681	0.14
413.5584717	0.20
415.2615967	12.83
421.4165649	0.07
453.1676025	0.30
473.0219116	0.84
483.9971924	0.23
485.1820068	3.44
486.2568359	0.34
493.0714111	0.33
493.9622803	0.07
495.1686401	0.93
509.3667603	0.52
511.4505005	2.71
513.1284790	0.47
524.8899536	0.26
527.1884155	0.65
529.3919067	3.29
543.2315674	0.40
544.2105713	0.37
545.1701050	1.81
555.0729980	1.67
561.3320312	0.16
571.4794312	0.10
573.2057495	100.00
574.4091797	0.58
587.1829834	5.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	336.1299
Annotation	Streptobiosamine
Peak:m/z	Relative Intensity
101.2469101	0.03
109.9184265	0.10
118.8214569	0.04
128.0146637	100.00
128.9177094	0.05
138.1622620	0.05
155.2321777	0.23
156.0843506	0.04
166.9632416	0.64
167.9587250	0.80
174.0805969	0.08
176.1050415	0.03
188.7850037	0.03
206.9491272	0.33
232.1983643	0.08
246.2915344	0.02
247.3029785	0.04
248.8480530	0.05
277.3001709	0.03
290.0447998	0.09
291.4808350	0.06
292.3714600	0.14
317.4094849	0.29
318.0439148	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	367.1489
Annotation	Tetrahydropentoxyline
Peak:m/z	Relative Intensity
115.1113205	0.05
116.8749084	0.11
157.1993713	0.04
172.9945068	0.04
175.1576538	0.15
188.0499878	0.02
197.0672913	0.10
199.0142670	0.04
204.3303986	0.07
205.1061096	0.05
207.2056885	0.07
215.1988831	0.03
229.0828552	12.43
230.9886780	0.03
232.9908447	0.11
241.3557129	0.03
247.0039062	0.25
248.9295959	0.04
250.9670715	0.05
253.1420898	0.03
255.2592773	0.04
259.1909790	1.43
271.0425415	4.16
276.5254822	0.38
277.1680908	0.39
278.1502075	0.06
279.1015625	0.34
281.1968079	0.08
283.3757935	0.26
285.3049316	0.03
286.8887939	0.12
289.1151123	0.13
291.2159729	0.10
292.1335144	0.05
293.1751709	0.02
293.9106750	0.08
295.4237061	0.16
296.1248474	0.13
298.4295349	0.07
301.8211975	0.10
305.1708069	0.24
306.9531860	0.02
309.3950500	0.08
313.0452881	0.53
313.9930115	0.07
319.1160278	0.03
321.1116333	0.26
323.3878784	0.04
326.0693359	0.18
331.2234802	12.16
332.3556519	0.15
333.7199707	0.05
336.9053040	0.04
339.4812317	0.01
343.7665710	0.06
349.1523743	100.00
349.9104309	0.20
350.5120850	0.01
352.1500854	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1526
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
202.9875183	0.04
218.2260895	0.14
228.292099	0.05
238.1072388	0.04
240.2045746	0.06
246.1941528	0.09
254.9883423	0.02
257.0428162	0.10
273.081665	0.04
273.9916382	0.72
274.9865112	0.02
281.3005371	0.03
284.0551147	0.05
284.9370422	0.01
289.0679321	0.14
302.0314941	4.40
302.6808472	0.05
303.3887634	0.04
317.0718689	100.00
337.279541	0.02
343.3482056	0.05
354.2379761	0.03
371.3695679	0.02
380.1282959	0.04
385.2818604	0.01
423.241272	0.08
440.5473022	0.05
445.3375854	0.01
463.2349854	0.16
466.1635132	0.06
467.3011475	0.05
471.0455322	0.02
479.2703857	0.06
493.3710938	0.07
517.4678345	0.07
525.0375977	0.09
535.2901001	0.01
564.4750366	0.08
569.3772583	0.03
571.1203003	0.05
573.7241821	0.05
579.0618286	0.03
592.6257324	0.02
606.9033813	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1526
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
204.8831482	0.17
217.1799316	0.14
218.0706482	0.06
242.1009827	0.11
246.098877	0.05
250.9637909	0.09
260.0592651	0.18
267.3963623	0.06
271.1229553	0.23
274.190918	0.60
284.3094177	0.08
285.2070312	0.19
291.171875	0.10
298.9977417	0.10
301.2059326	0.56
302.1035156	3.63
312.9655151	0.07
317.0685425	100.00
317.6828308	0.36
318.7770996	0.03
341.2652588	0.11
367.0199585	0.08
406.5355835	0.22
413.1655273	0.06
437.2809448	0.18
452.621521	0.30
453.3795776	0.09
462.9572144	0.28
471.0686035	0.05
509.3442993	0.16
515.3587036	0.06
524.3213501	0.12
525.4884644	0.10
544.1395264	0.22
547.3527222	0.12
551.569397	0.15
562.5326538	0.02
565.3931274	0.18
607.1829224	0.27
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
90.81764221	0.66
94.94245911	1.76
97.09123993	1.85
98.94907379	1.21
105.0493774	0.14
106.9324799	0.19
109.0229492	2.64
111.0284271	0.82
113.1064987	0.52
119.0708847	0.34
121.0497742	1.08
122.0723953	0.28
123.0716782	3.19
125.0172272	1.89
127.8768921	0.35
129.0172729	0.22
133.1277466	0.30
135.1143646	2.17
137.0455017	1.63
138.9435425	5.52
140.9152527	0.69
143.1681213	0.59
147.1414185	0.91
149.0690613	0.36
150.9354095	0.15
152.9120789	1.14
154.9805298	0.78
159.1570129	0.20
161.2642517	0.83
162.9744568	1.43
167.1689148	0.32
169.1644745	1.69
170.9089966	2.14
172.3250275	0.11
173.1551819	0.36
175.0900879	1.23
177.0080261	1.01
178.8904114	1.71
179.4904785	0.31
182.9452209	2.43
185.243988	1.15
187.1723785	0.61
191.8723755	0.54
193.1880188	0.96
195.0971222	0.33
195.7358398	0.19
196.9229889	14.50
197.5828247	0.58
199.0982666	2.44
201.1776733	0.23
203.1266785	4.33
205.0310974	1.02
206.9941406	0.24
209.1270142	1.51
211.1600342	1.85
212.9960022	0.92
215.3071594	0.79
217.1040649	0.57
219.372406	0.17
221.2227478	2.90
225.2612305	0.91
227.1139221	1.26
228.2530518	0.63
231.1046143	0.48
233.3190308	1.30
235.2277222	0.37
237.2741394	1.63
239.1618958	26.98
241.0603943	0.14
243.2820435	1.93
251.3317261	1.64
252.3387756	0.54
253.1751404	2.87
255.1935425	0.65
256.0243225	0.09
257.177887	0.68
261.1586914	2.78
265.1326294	0.72
267.4451294	0.57
269.2402954	0.21
277.6368408	0.16
279.2402954	100.00
280.1429138	0.12
281.0845032	4.27
287.4645996	0.14
297.3018494	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.96226501	0.08
103.0837326	0.38
106.995842	0.76
109.0420074	2.35
111.1472015	0.26
112.7762451	0.27
116.8742676	0.28
118.8953934	0.16
121.0283661	2.67
123.0950699	1.44
124.8672333	0.23
126.8184738	0.07
132.986969	0.78
135.0002747	3.55
137.0863342	0.47
138.071106	0.40
139.0537872	0.07
141.0098877	0.37
143.2422485	0.12
144.9278564	0.40
146.982132	3.33
149.1360779	1.54
151.0842285	1.07
151.9228821	0.28
152.9076233	0.21
157.0356903	1.05
159.0870361	0.53
160.999176	1.83
162.0427551	0.17
163.1509094	0.84
165.0939026	1.58
167.0862579	0.83
168.9627686	0.63
171.0321045	0.08
173.0154724	1.10
175.115799	1.73
177.1751251	1.47
178.9498291	0.40
183.0177612	1.12
184.0582581	0.11
185.3176422	0.76
186.9736481	0.59
189.0018463	1.19
189.9217377	0.32
191.1773682	0.79
193.282135	0.52
197.2074432	1.13
199.1020508	0.33
201.0267944	1.10
203.045105	1.96
205.3500824	0.64
209.3651428	0.17
210.8842163	0.93
213.0174255	0.49
215.0561523	0.84
217.1336365	1.91
218.8105469	0.11
221.4155579	0.12
223.0496216	0.52
223.9853821	0.06
225.4114685	0.19
227.0486755	0.19
229.0616455	1.22
231.2229614	1.09
232.6893005	0.10
235.2742004	0.07
237.0768127	0.49
238.3237305	0.26
239.4240112	0.75
241.1565247	0.59
243.4411316	0.07
245.1598511	1.87
246.6131592	0.44
247.4197998	4.38
248.2622986	0.08
251.1412354	0.44
253.2658081	1.04
255.0455933	0.70
256.4125061	0.56
257.3332825	0.23
259.0601501	0.33
259.9814453	0.08
263.3058472	0.51
266.7855225	0.32
267.3866272	0.76
269.1626892	0.27
271.3397217	0.73
273.1974792	0.24
277.1964111	0.53
279.0522766	0.52
279.7686157	0.23
281.3344116	0.53
283.3196716	0.68
285.2510986	0.25
287.3619995	0.73
294.1592407	0.48
295.2556458	1.05
297.237854	1.45
298.0299988	0.30
299.1988525	0.35
300.0299988	0.39
300.892395	0.08
305.2902832	2.57
307.6057129	0.19
309.572113	0.26
310.2454834	0.22
313.125824	0.64
323.2474365	100.00
324.162323	1.67
326.1322937	0.18
332.3570557	0.13
341.2601013	1.74
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
92.87330627	0.30
94.83345795	1.88
96.974617	1.62
98.98394775	0.91
100.7185822	0.21
107.0763855	0.15
109.1509247	1.21
110.9445877	0.75
113.1159058	0.80
114.8233185	0.31
119.98069	0.06
121.0814667	1.25
122.8528442	0.71
125.0788879	1.41
126.940506	0.40
131.2205048	0.06
133.0456238	0.46
135.0337219	0.57
137.0510559	1.20
139.0137939	6.96
141.17276	0.09
143.1085815	0.26
149.1376343	1.04
151.1168976	0.56
153.0241394	1.29
154.9194336	0.11
157.3173065	0.26
158.7449188	0.14
161.3538208	0.33
164.9597473	0.60
166.96315	0.65
169.1576538	0.37
171.3210907	0.24
172.8577881	0.25
175.1866608	0.66
177.046875	0.68
179.2229309	0.61
181.0614624	0.05
183.0683899	1.71
185.2300262	0.30
187.2716675	0.20
192.9912872	0.57
195.1425323	0.20
197.0952759	3.51
199.2789917	0.68
203.2283325	1.86
207.0662537	0.81
209.0526123	0.31
211.1202698	0.85
213.047821	0.66
217.2530518	0.17
219.2970581	0.25
221.1525269	3.75
223.0526733	1.02
225.1480408	0.78
227.0984497	0.74
233.1716309	0.91
234.9485474	0.48
237.210083	2.79
239.1452026	8.45
243.336792	1.11
248.2360229	0.09
249.0296021	0.10
251.2755432	0.51
251.9659424	0.06
253.2313232	0.86
254.125061	0.39
255.2966309	2.60
257.1189575	0.64
261.0546875	2.16
261.7404785	0.08
263.1694641	0.22
265.2868347	0.20
267.1433411	0.11
269.1779785	0.38
279.2335205	100.00
280.2286682	0.27
281.0495605	0.32
288.6072083	0.54
297.4681396	0.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1526
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
193.1805725	0.07
218.2276459	0.12
228.1560822	0.07
234.2550049	0.09
246.1342621	0.06
251.2063904	0.03
257.0394287	0.10
258.2897034	0.03
260.6444397	0.04
271.3149414	0.15
274.1541138	0.64
276.2758179	0.07
285.2094727	0.17
299.0594177	0.07
301.1044922	0.04
302.130249	3.46
311.3289185	0.11
317.0640869	100.00
317.6860962	0.40
326.0422974	0.04
339.9741211	0.05
343.4678345	0.05
355.0252075	0.03
357.0200806	0.03
409.1920776	0.07
421.4119873	0.07
425.5531006	0.06
445.1734619	0.23
463.4447021	0.06
478.4711914	0.11
479.3106689	0.18
480.2750854	0.05
507.6974487	0.11
523.9402466	0.07
564.9477539	0.02
565.5792847	0.10
570.9660034	0.13
607.0296631	0.23
607.7914429	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	288.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
87.9267044	1.44
92.9762268	0.81
95.0382538	0.17
105.0115585	0.21
106.9556351	0.65
109.0071869	0.11
111.0521317	0.08
114.9649429	0.13
117.9236069	0.02
121.0115280	5.01
121.9240265	1.93
123.0679779	0.25
125.0817261	0.05
128.7687378	0.16
131.0642395	0.49
136.1935730	0.07
136.9056091	0.04
139.1793518	0.51
141.9021912	0.21
144.0453796	0.04
144.9522095	0.23
148.9653625	11.86
149.9189911	0.03
152.9515686	0.04
155.1894531	0.08
160.9673767	0.09
163.9448853	0.19
164.9733887	0.06
167.0343781	4.51
169.9676666	0.18
173.1627502	0.19
174.9625244	0.07
175.9212494	0.03
176.8584900	0.14
182.8838806	0.17
188.0082855	0.06
188.9219971	0.14
191.0566254	0.04
194.1041870	0.07
194.8203125	0.06
198.0038147	0.43
199.0622253	0.24
200.0265503	0.10
200.9641724	0.33
205.2687988	0.05
207.0797729	0.10
212.3159790	0.04
213.1058960	0.03
214.0079956	0.04
216.1350098	0.07
217.1292725	0.06
217.8993225	0.05
224.4467468	0.33
225.1519165	0.29
226.9746704	0.39
228.1867065	0.07
232.0639954	0.13
232.8110962	0.07
238.1232910	0.09
239.0479736	0.12
242.1047363	3.21
243.3305054	0.20
243.9914856	0.20
245.1029663	0.10
245.9387207	0.17
246.9176636	0.96
252.2781067	2.59
253.1572266	3.93
257.0507202	0.60
260.0180969	0.27
261.1523438	0.31
264.8991699	0.06
267.3810730	0.54
270.0973206	100.00
270.9696045	28.53
271.6183777	0.11
274.0744019	0.07
278.1616821	0.11
280.0139160	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.142
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
170.7711639	0.17
184.1029968	0.15
196.9367218	0.38
212.963028	0.07
233.0269165	0.21
251.9828339	0.13
261.0095215	0.09
287.053833	100.00
287.8325195	0.66
338.6921997	0.12
361.2620239	0.15
408.1652222	0.12
413.2826538	0.52
427.3436279	0.13
429.3181763	0.29
430.166626	0.31
435.4416504	0.17
439.3531494	0.35
541.4100342	0.17
549.4271851	0.07
550.9873657	0.28
557.944397	0.95
559.2572632	0.48
563.3275757	0.24
577.2133179	2.34
579.0601807	0.82
585.9210815	0.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	318.3
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
94.98106384	1.15
106.4598389	0.34
107.0746155	0.07
107.8899994	0.22
108.9377441	0.70
111.2848206	0.13
113.0334015	0.54
119.1194687	0.62
120.9523315	1.11
122.8928223	1.19
125.1406784	0.71
127.0248871	0.41
131.1116333	0.32
133.2003632	0.26
135.1799011	0.33
136.9820404	0.71
138.9819336	0.58
140.9009094	0.37
145.8447113	0.57
147.1124725	0.60
149.0821228	0.10
150.8834686	0.57
153.1683044	0.14
154.8762817	0.11
156.7258301	0.16
158.9567871	0.23
161.0182495	0.51
163.1963959	0.13
165.0681763	0.79
167.0385437	0.61
169.1349182	0.82
171.166153	0.19
171.8995209	0.15
175.1727905	0.11
177.8602448	0.27
179.0951843	0.47
180.8795776	0.08
183.1109924	1.20
184.95578	0.22
188.2118835	0.17
189.0543518	0.31
193.0210419	0.34
197.2428284	0.44
199.2360382	0.35
200.2132263	0.24
201.0545807	0.11
203.162323	0.07
204.6725159	0.08
207.1181335	0.84
208.1635132	0.12
209.1230164	0.24
210.2814941	0.09
211.1946106	0.94
213.1523132	0.11
218.0594788	0.20
219.1871033	0.48
221.2919617	0.38
223.0523376	0.40
225.1966248	0.39
227.2127991	0.73
228.2148132	0.14
229.3034363	0.10
230.0922852	0.15
233.2951355	0.08
234.7319946	0.15
237.5108643	0.67
238.3824158	0.08
241.1780396	0.64
243.160553	0.50
247.2890015	3.49
251.0421143	0.16
252.2292786	0.55
253.4603882	0.59
254.2960815	0.26
254.9224243	0.24
256.5631714	0.51
258.1999512	0.52
264.4112244	1.60
265.3723755	6.43
269.2171631	0.84
270.3330994	0.86
272.2840576	0.53
273.1697693	0.88
276.145874	0.15
276.9255981	0.84
282.2759705	43.99
283.1468506	1.54
284.0213013	0.14
286.9169922	2.19
290.1740723	0.51
291.3512573	0.54
298.4373474	0.19
300.29245	100.00
301.2346802	4.35
301.925415	0.08
302.708252	0.27
309.0349731	1.14
317.9411621	0.20
319.22229	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	414.16
Annotation	Unknow
Peak:m/z	Relative Intensity
117.9407349	100.00
135.1276245	0.28
163.0234985	0.16
176.8583374	0.38
186.1822662	0.43
233.2582092	0.27
243.1771545	0.25
251.6763611	0.54
260.9559937	2.96
267.2470398	0.20
275.1356506	0.56
279.0307007	29.70
280.2520752	0.97
287.1016846	0.24
288.1078186	1.26
294.0103760	12.96
296.9125061	0.84
297.5690918	1.05
302.4447632	0.88
306.1585388	1.98
307.6500244	0.37
311.3295288	0.18
315.1526184	1.30
324.0535278	94.86
324.9851685	1.38
330.2377014	0.90
334.2511597	0.31
352.3043518	0.91
353.9176636	2.50
360.1639099	0.46
370.4610596	0.15
371.3511047	0.28
377.9805603	1.00
383.5349426	0.60
396.0465088	60.98
396.9121399	1.05
397.5133667	0.70
405.3604736	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
192.0402832	0.05
201.1473541	0.05
202.9248505	0.02
213.8870544	0.03
216.8414154	0.15
227.0872345	0.02
228.0550842	0.11
229.0745544	0.06
232.0535583	0.04
245.0838318	0.15
246.0382233	0.06
251.0418091	0.05
255.4553223	0.02
256.130127	0.04
256.9702454	0.20
269.3041992	0.01
273.9751587	0.38
285.5031738	0.02
287.2462769	0.02
298.972229	0.03
300.0193787	0.04
302.0471802	3.73
303.1263123	0.03
312.8288574	0.03
315.2411499	0.02
317.0712585	100.00
318.2921753	0.12
335.2195435	0.05
424.9440308	0.01
462.9368896	0.23
479.2546997	0.06
483.5686646	0.05
534.7922974	0.06
535.874939	0.01
539.0454102	0.02
559.4650269	0.05
567.1066284	0.04
587.2792969	0.02
589.1779175	0.16
593.0375366	0.01
595.5595093	0.07
597.2360229	0.02
606.6906128	0.10
607.567627	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
240.2466431	0.04
243.0723724	0.09
245.0248108	0.13
246.2915192	0.01
257.1678162	0.10
269.1743774	0.01
271.1734619	0.01
273.9292603	0.33
285.3542786	0.03
298.9803467	0.05
300.0328369	0.06
301.0737915	0.02
302.1140747	3.51
315.1897583	0.09
317.0749512	100.00
318.1487427	0.15
357.9516602	0.05
377.0527954	0.14
384.9768066	0.04
399.0332642	0.02
406.8786621	0.04
414.0267334	0.01
427.1525879	0.04
458.795166	0.02
463.0325928	0.02
471.1723633	0.10
534.5883179	0.04
550.4309082	0.04
567.4823608	0.02
579.6443481	0.05
586.9141235	0.11
589.1802368	0.05
593.2058716	0.07
595.5878296	0.03
607.0040894	0.39
607.6333618	0.03
625.5758057	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.169
Annotation	N-Undecylbenzenesulfonic acid
Peak:m/z	Relative Intensity
93.1188660	0.04
109.0458298	0.07
110.7614746	0.07
112.9670029	0.09
118.8772430	0.28
129.1347504	0.18
140.8879089	0.16
148.1781921	0.29
148.9787598	0.97
155.1420593	0.03
161.1211548	0.09
168.9651184	0.08
170.0930786	5.50
171.1572266	0.10
177.0842590	0.19
179.0076904	0.70
182.9697266	100.00
184.0543518	10.43
185.2049255	0.15
191.7835693	0.08
193.1673126	0.05
195.2183533	0.07
197.0417480	6.03
198.0719299	4.37
199.0999451	0.49
199.9978027	0.05
209.2664795	0.10
211.2587585	1.51
212.0938110	1.35
213.0013123	0.35
217.1969299	0.09
225.1083374	3.82
226.1264648	1.66
227.1260376	0.40
228.1277771	0.08
229.3085632	0.10
231.4599609	0.09
239.1380005	3.05
240.1731567	1.21
241.2107239	0.45
247.2176208	4.95
248.3775635	0.94
249.4012451	0.76
253.3066711	1.24
254.1941223	0.73
255.1792603	0.20
263.3642578	0.10
267.3103333	2.82
268.0920410	0.33
273.2351074	0.13
275.2840576	0.30
281.0846558	0.20
282.1989746	0.24
282.8878784	0.07
286.0136108	0.12
293.2788086	3.09
294.2222900	0.23
294.8323364	0.27
311.3019104	13.71
312.2662048	1.27
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
84.79538727	0.16
86.73760223	0.16
90.90479279	0.18
93.00189209	0.06
94.95303345	1.62
96.95277405	0.92
99.00794983	0.34
101.0447006	0.13
103.0416183	0.16
104.9664078	0.51
106.9990387	0.35
109.0178833	3.43
110.9524231	1.28
112.2548981	0.11
113.0214157	0.37
115.0409088	0.05
119.1231689	0.34
120.9811401	0.70
121.9776077	0.08
123.0401611	2.18
124.9804611	0.84
126.9430084	1.02
129.0099182	0.65
133.1139679	0.34
134.9588165	2.17
136.9759979	1.40
138.8855286	4.01
139.5089417	0.02
140.1113129	0.14
141.1998901	0.51
141.9366455	0.16
142.9853668	0.54
145.0288391	0.20
147.1087341	0.32
148.8977966	0.74
150.186615	0.14
151.1712952	0.36
151.9413757	0.12
153.0192566	3.23
155.0130615	1.15
157.0903931	0.62
158.9238892	0.48
161.0839691	0.82
162.9721985	0.87
165.2492065	0.53
166.4936218	0.12
167.1512451	0.32
169.0582886	1.31
171.1099854	1.88
172.2341766	0.12
173.0531311	0.39
175.1782837	0.85
176.9985962	0.40
179.0803223	1.27
181.1005249	0.79
183.0354462	1.63
185.161438	0.10
187.0571136	0.39
189.2798462	0.90
191.0917206	0.17
193.0358124	1.53
195.141449	1.38
197.1061707	5.01
199.0799866	0.79
201.2951355	0.06
203.1856689	3.46
206.3046875	0.27
206.9857178	0.18
209.1299744	0.86
211.0050659	2.32
213.128479	1.21
215.2050171	0.21
217.0841064	0.07
219.2171326	0.62
221.1619263	5.90
221.8520508	0.30
223.1428833	0.94
225.1732178	0.97
227.169342	0.56
229.0500793	0.19
233.2192383	1.74
237.2223816	7.42
239.1167603	29.68
241.2821655	0.22
243.2609863	1.89
244.1727905	0.07
249.01828	0.13
251.2419434	2.73
253.3143005	1.12
255.2946472	2.46
257.1236572	2.26
261.212677	2.91
262.2212524	0.22
268.9920959	0.50
269.9882202	0.11
273.8338623	0.25
279.2360229	100.00
280.3065796	1.39
281.2908325	0.32
288.2062378	1.18
288.9103394	0.17
297.2296143	0.47
298.9788208	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
211.077713	0.17
226.2531281	0.24
285.2618103	0.38
286.2172852	0.14
301.18396	0.45
302.2241516	2.26
303.0127563	3.45
317.0755615	91.07
318.1782227	100.00
343.4838867	0.20
383.5181274	0.49
415.0984497	1.40
464.1469116	1.29
471.1099854	0.87
472.8199463	0.53
475.4848022	0.11
504.0580444	0.31
534.0407104	0.18
544.9271851	0.36
564.0031128	0.85
575.4163818	0.16
606.0427856	0.79
608.9960327	1.34
615.9654541	0.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
186.9869995	0.05
215.2506104	0.06
229.065094	0.55
239.1216736	0.13
257.008667	0.45
259.163208	0.07
284.3734741	0.21
287.1640625	0.17
301.2580566	0.28
303.0510254	100.00
304.1884155	0.06
327.5487671	0.08
342.1694336	0.07
344.9313965	0.05
356.3439331	0.09
364.9465942	0.04
367.1103516	0.11
375.2018433	0.11
412.9989624	0.05
415.4585571	0.14
419.2133179	0.05
439.6074829	0.13
440.3796387	0.03
449.0476685	0.07
465.3873901	0.20
491.0878296	0.71
492.1895752	0.12
498.0272217	0.04
521.5891724	0.11
523.375	0.16
525.3817139	0.19
547.3461914	0.10
549.7296143	0.16
552.9677124	0.48
565.6160889	0.04
567.2107544	0.10
583.456604	0.11
592.9026489	0.20
594.1679077	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
76.96192932	0.19
81.08982086	1.26
82.9454422	0.38
84.86225891	0.56
90.94897461	0.37
92.86753845	0.73
94.24459839	0.33
94.91581726	1.10
96.82705688	1.22
98.77133179	0.75
103.1308594	0.28
104.9212189	0.36
106.1391907	0.25
106.918457	0.29
108.9567413	2.62
110.8410797	0.90
113.0478668	0.52
114.8670959	0.39
119.0201569	0.50
121.0845642	2.39
123.0290222	1.65
124.9810333	1.54
126.8366241	1.04
128.9832916	5.61
130.0769806	0.36
133.0310516	2.23
135.1843872	2.74
136.9628296	2.81
138.9577484	0.55
141.1713104	0.21
141.8825226	0.18
143.0398102	0.11
147.0646362	0.47
148.1056976	0.33
149.0681152	0.68
149.886322	0.14
150.9353638	62.34
151.9994507	3.08
153.0089111	0.56
153.9983368	0.85
155.0834198	1.19
157.0701294	1.30
161.1504364	2.55
162.8213501	0.57
164.8614044	1.62
166.9772339	1.98
167.9603882	0.66
169.1100922	1.25
170.9717407	1.40
174.9106903	0.38
176.8021545	1.07
177.738327	0.16
179.0812836	0.37
181.1182251	0.65
183.0937653	2.21
185.1470337	1.63
189.2062836	0.44
190.1964874	0.34
190.9787445	0.37
192.2113495	0.95
193.1424255	1.30
195.0679474	0.89
196.0524139	0.15
197.1560516	3.36
199.2381439	0.85
207.1495209	2.74
211.1480865	3.92
212.2536621	0.23
217.2399902	8.24
223.0287476	0.31
225.1497955	12.30
232.8170166	0.28
235.1973877	16.61
238.1148071	8.94
239.2784576	1.22
251.1506195	0.37
253.0893555	100.00
254.1578979	11.36
261.6617432	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	390.9
Annotation	Unknow
Peak:m/z	Relative Intensity
177.0054626	0.68
194.8956451	11.07
210.9945679	0.69
229.0947266	0.08
241.0142212	0.14
259.1323547	0.05
265.5684204	0.18
292.9341125	100.00
333.2235107	0.05
344.0791016	0.05
345.2056885	0.13
363.2972107	0.05
372.2236328	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
89.02579498	0.17
97.25466919	0.13
105.1781769	0.20
109.0724792	0.09
115.1769562	0.13
125.2533875	0.07
127.2117004	0.19
128.8962555	0.04
140.9442139	0.11
146.1325836	0.22
147.0930939	0.05
148.9598083	0.10
152.7058105	0.41
159.7404175	0.20
167.2958984	0.07
169.2115936	0.16
175.1389008	0.13
177.2421417	0.16
179.0582123	1.12
180.0626984	0.16
181.0482788	0.32
191.2453766	0.33
193.0774994	0.38
195.0219421	0.07
197.4508057	0.05
202.9783478	0.08
205.1149902	0.45
206.3098602	0.71
207.1222992	2.82
208.1167755	2.61
209.0995178	0.76
214.8925934	0.36
221.005661	0.09
222.1042633	3.01
223.0386963	4.24
224.0580139	0.50
232.9371948	1.37
236.0367889	0.24
251.067337	100.00
252.0500488	20.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	Deoxyinosine
Peak:m/z	Relative Intensity
82.91530609	0.55
88.95863342	1.04
95.05770874	0.41
96.91667175	0.24
123.052536	0.56
124.8582001	0.86
135.0674744	0.52
137.751297	0.45
149.0996552	0.83
150.9423065	0.20
152.6822968	0.48
159.0491638	0.58
160.6211243	0.30
167.1692047	0.37
174.9660797	0.76
179.2121277	0.47
181.0776825	0.92
183.2035675	1.48
188.9409332	0.31
191.4091949	1.28
195.138443	1.14
196.9286652	0.45
205.0379181	1.49
206.1078339	0.40
207.0549469	4.91
208.0601196	4.22
209.1359406	3.46
222.0469055	3.19
223.1678925	5.01
232.9003296	5.72
236.0307007	0.43
251.0792847	100.00
252.0121918	16.96
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
206.7487793	15.49
212.9795227	0.33
233.2370148	0.26
284.7951965	0.24
290.7726440	100.00
296.8532104	1.15
314.8558655	0.52
322.3063965	0.11
338.6647949	1.55
352.7707825	0.18
357.0596924	1.18
368.9016418	0.66
374.1866150	4.81
374.8277588	38.68
398.8872681	12.15
412.6665344	0.91
441.2643127	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	316.2836
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
91.02716827	0.51
93.01712799	0.33
94.10649109	0.09
94.83816528	1.20
95.89628601	0.04
96.8996582	0.82
98.03955078	0.05
103.0732422	0.18
105.0203857	0.10
107.1762619	0.12
108.987442	1.88
110.8876038	0.40
112.0606308	0.29
114.0677948	0.08
117.8158188	0.04
118.986618	0.90
121.0606079	1.38
123.0157776	1.79
125.0842209	0.20
129.9287415	0.24
133.1308136	0.84
135.0716858	0.83
136.9328918	0.85
139.8429871	0.09
141.0727692	0.13
142.2665253	0.09
144.8380737	0.13
146.9062653	0.95
149.0067749	0.72
151.0822906	1.32
154.1954803	0.12
154.9177246	0.07
156.4987793	0.11
158.8184204	0.07
161.0232544	1.62
163.0930328	0.61
168.5775299	0.11
169.3667755	0.10
171.2823334	0.33
175.1618652	0.77
176.9966888	0.31
178.0773315	0.07
179.1603394	0.28
180.9243317	0.10
183.1729736	0.06
186.973526	0.17
188.1928406	0.17
188.9713593	0.48
191.1859894	0.20
193.4226837	0.22
195.1880798	0.23
196.2793427	0.16
198.2225342	0.13
199.9220886	0.08
201.6175232	0.34
203.3211365	0.31
204.9047546	0.15
207.09021	0.66
208.250885	0.06
210.219696	0.09
210.9801331	0.05
217.3100891	0.05
219.1544495	0.51
220.3255615	0.10
221.1492615	1.82
221.8762207	0.07
222.9935913	0.13
225.1539612	0.13
226.0344238	0.26
227.1233521	0.57
228.0942993	0.38
229.267334	0.12
230.6664124	0.07
233.2478943	2.09
234.177063	0.23
236.0949402	0.08
237.2116699	1.00
239.2023621	1.92
240.3787842	0.11
241.0133972	0.15
242.2688599	2.45
243.340271	0.10
245.3345947	3.08
249.6518555	0.64
250.4552917	2.05
251.3021851	1.43
252.4812622	0.19
253.0979919	0.23
254.3574524	0.24
254.972229	0.05
256.3951721	0.26
257.2563477	0.14
258.9936829	0.16
262.3426819	6.49
263.2575073	3.67
267.1696777	2.48
268.2848511	2.23
269.9402161	0.19
271.1818237	0.59
272.1229553	0.07
275.0900879	0.15
280.2544556	73.20
281.2460327	1.54
284.4805298	1.02
285.1775818	0.85
289.2771301	0.23
298.281189	100.00
299.0127869	3.96
299.6776733	0.04
300.7013855	0.18
302.09729	1.67
306.9689331	0.93
307.6828613	0.29
316.3476868	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1527
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
205.3845978	0.31
245.3580627	0.82
247.1455078	0.13
260.1109314	0.40
274.0122681	0.88
288.0255127	0.19
302.1622925	7.42
317.0689697	100.00
317.6773682	0.35
318.324707	0.21
324.6107788	0.31
340.5119019	0.22
343.1282349	0.40
349.4064941	0.12
351.1317749	0.10
352.0288696	0.14
356.8274536	0.45
397.2816772	0.23
403.4871216	0.16
406.3129272	0.45
414.3728027	0.20
421.378479	0.33
434.4574585	0.54
455.4138184	0.32
463.0365601	0.39
492.2937622	0.16
527.4910889	0.41
535.0448608	0.14
557.2748413	0.42
581.0560913	0.91
593.5078735	0.38
607.2543945	0.84
608.0036621	0.73
609.5350952	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	663.1562
Annotation	Apigenin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
193.0848694	0.80
206.8340607	0.02
235.0131531	0.03
265.2293091	0.11
307.2004395	0.42
313.0166016	0.02
326.2228699	0.01
337.2956543	0.05
340.2637329	0.01
347.4174805	0.05
355.1447144	0.75
411.0297852	0.01
483.4743042	0.06
491.0399780	0.07
499.4623413	0.03
501.1310425	100.00
501.7666016	0.17
502.5018921	0.07
505.3212891	0.12
529.3215942	0.02
543.2797241	0.06
552.4005737	0.02
555.3825073	0.01
565.6123657	0.04
566.2291870	0.05
567.4515991	0.01
570.2715454	0.04
573.0530396	0.05
577.4504395	0.04
588.2290039	0.08
615.4321899	0.15
616.3059082	0.04
617.4810181	0.02
619.6149902	0.02
627.0751343	0.01
631.3934937	0.08
638.4132690	0.02
639.9909668	0.05
645.2019043	0.11
646.1746216	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	360.1297
Annotation	De-O-methylsimmondsin
Peak:m/z	Relative Intensity
101.1045532	0.17
112.9664307	7.11
115.4140015	0.19
119.0187378	3.58
124.9495544	0.80
130.9457703	3.15
132.9653015	0.15
143.0179901	8.17
148.8311462	1.73
160.8795471	7.35
162.9470215	0.77
178.9549255	100.00
180.0735779	56.82
192.9124298	0.08
196.9422302	0.11
226.9599609	0.13
227.8219299	0.13
240.0424805	0.19
269.9874268	0.16
288.1561279	0.16
288.9283447	0.07
297.1455078	0.10
298.3056946	0.27
299.5223389	0.51
300.1854858	0.72
313.9574890	0.06
316.0589294	0.41
317.1229248	0.07
341.7730713	0.88
343.4122620	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
177.172287	0.11
201.2293396	0.29
203.2698212	0.24
213.2869873	0.16
228.9646454	0.19
246.1209412	0.05
247.0372162	0.14
251.3017883	0.36
257.0560608	0.37
301.723877	0.57
303.0546875	100.00
303.8589478	0.15
358.5795898	0.09
397.4518433	0.09
424.6495972	0.17
449.1369019	0.30
492.6383667	0.11
516.296814	0.05
523.3084106	0.11
533.1976929	0.14
550.2006226	0.16
555.7352905	0.25
592.3421021	0.05
593.2197266	0.39
598.887207	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.152
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
192.1221313	0.14
203.0316467	0.29
227.7942352	0.05
234.105896	0.07
242.9547424	0.18
245.1217651	0.24
246.0646667	0.08
255.3320923	0.23
256.1599426	0.03
271.4697571	0.13
274.111084	0.63
287.0509338	0.10
288.8920898	0.03
302.0982056	4.13
308.7807007	0.05
313.2365723	0.05
317.0742493	100.00
318.2446289	0.08
333.4822388	0.04
377.086792	0.04
403.1071167	0.23
409.3862915	0.21
411.5737305	0.18
446.2521362	0.17
457.5584106	0.14
462.9038696	0.16
463.5578613	0.19
467.4003296	0.13
470.7514648	0.10
490.0307007	0.09
495.2826538	0.18
511.4144287	0.03
514.6092529	0.14
545.7924805	0.24
567.2703247	0.18
581.4384155	0.03
589.3082886	0.07
593.6353149	0.05
594.472229	0.06
596.8883667	0.03
601.5182495	0.16
605.0325317	0.11
605.7781982	0.03
606.4116821	0.07
607.1503296	0.42
608.241333	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	261.1437
Annotation	Leucyl-Glutamate
Peak:m/z	Relative Intensity
84.4381409	0.03
85.9538879	24.41
106.9696808	0.06
112.0418854	0.21
116.0804596	0.08
120.8668823	0.03
130.0293274	0.92
132.0022736	100.00
137.0084229	0.08
146.0162506	0.13
147.9887390	0.89
148.8614655	0.07
151.1849976	0.14
177.1259460	0.03
184.9639740	0.04
186.5827332	0.04
189.4279327	0.07
198.0508881	5.85
201.2653656	0.05
202.0222931	0.10
205.3417511	0.20
206.0507812	0.12
212.8564758	0.02
215.1502380	1.08
216.9362946	0.47
217.9401855	0.06
219.4389648	0.13
220.1695709	0.18
221.0818634	0.06
225.0454865	0.52
226.1711273	0.20
232.2540894	0.07
233.0192261	0.04
240.5952911	0.13
243.1043091	7.45
244.1400146	29.78
246.1329498	0.10
252.9762573	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
211.1300354	0.05
219.1776123	0.10
229.0853729	0.08
233.129364	0.04
256.0480347	0.07
257.2178345	0.44
282.8961182	0.14
287.2191467	0.05
303.0506592	100.00
303.7546387	0.66
313.0516357	0.18
355.2697144	0.21
395.0524292	0.08
431.7733765	0.13
435.4898071	0.09
449.2542114	0.18
450.4129028	0.11
465.0859985	0.06
472.9017944	0.18
514.1810913	0.14
521.0083618	0.07
550.7108765	0.11
551.5213013	0.15
552.1520386	0.21
564.6662598	0.36
565.4671021	0.13
575.0067139	0.18
580.5101318	0.28
586.71521	0.29
592.8929443	1.14
593.5599365	0.38
596.5637817	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	493.0981
Annotation	Quercetagetin 7-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
139.0209045	0.02
148.2106934	0.05
151.0377808	0.29
163.0090637	0.06
166.0346985	0.02
168.2053223	0.01
176.9536743	0.02
178.2692261	0.07
179.0711517	0.97
184.0739594	0.02
189.3775940	0.01
191.0183411	0.03
196.7771301	0.02
199.0963440	0.05
200.0295258	0.02
201.1454773	0.03
203.1810608	0.04
204.9359436	0.04
207.1643677	0.11
219.1511230	0.06
220.1484222	0.03
221.1294861	0.04
232.3404846	0.04
235.2848206	0.02
237.4556885	0.03
243.1509857	0.02
244.1129150	0.04
245.0864868	0.05
246.0803986	0.04
247.3221893	0.03
249.1521454	0.02
251.2578430	0.01
253.4708252	0.02
255.0747375	0.08
256.0601807	0.02
257.0358582	0.03
258.8713684	0.07
260.9888916	0.03
263.1803589	0.06
270.0528259	0.05
272.1632080	0.10
273.2557983	0.03
275.1518860	0.05
277.0947571	0.05
279.1358948	0.03
283.1065674	0.25
284.2524719	0.05
285.2423706	0.19
286.1729126	0.08
287.1812134	0.16
287.9369507	0.04
288.8598328	0.05
297.1311035	0.01
298.2389832	0.06
298.9908447	0.09
301.0595093	0.36
303.2480164	0.28
304.8548889	0.04
311.0585938	0.14
312.2968750	0.01
313.3431396	0.11
315.1204834	1.68
316.0646973	1.43
316.9927979	0.01
321.2843933	0.05
323.4404602	0.08
325.3006897	0.02
330.1088867	37.87
331.1008911	100.00
332.1031494	0.14
335.2748413	0.09
341.1630249	0.44
341.9887695	0.12
343.1270752	0.48
345.0014648	0.01
353.1766357	0.11
355.0254517	0.06
357.0574341	0.05
357.9754028	0.02
359.3294678	0.06
361.2783508	0.05
366.8140259	0.11
369.2560425	0.05
373.0753174	0.95
379.2637329	0.02
403.0561829	0.08
405.4435730	0.02
409.2214661	0.02
415.4892883	0.10
416.2229309	0.02
417.2069092	0.02
421.1241760	0.05
422.2845154	0.02
437.3991394	0.02
447.1852417	0.11
457.2083435	0.03
461.1924133	1.22
463.3677063	0.05
474.5575867	0.02
475.2381287	0.65
478.0268860	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
191.256958	0.15
228.1655273	0.08
244.8302307	0.09
258.2971802	0.06
302.0889893	5.99
317.0722046	100.00
317.697876	0.36
319.2355957	0.08
339.3005371	0.09
352.1443481	0.33
357.2349854	0.13
418.0750732	0.14
445.1010132	0.20
463.1428223	0.40
467.5370483	0.15
482.7287598	0.14
495.7941895	0.19
544.0360718	0.27
550.3528442	0.22
564.4695435	0.11
607.7533569	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	440.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
150.9227295	0.11
161.2665710	0.12
187.2533875	0.09
195.1377258	0.14
215.9211426	1.03
217.1641541	0.19
233.9999695	0.11
239.0247803	0.09
244.0742493	6.32
246.0558472	0.26
261.0398560	0.13
262.0379944	0.20
263.1694946	0.05
264.0078735	0.06
275.1477051	0.12
290.0717163	100.00
290.6722412	0.17
296.2504578	0.24
303.0956116	0.10
307.0123901	0.07
308.1263123	0.22
325.2525635	0.09
327.4126892	0.10
336.0568848	0.07
339.3347168	0.09
348.8092041	0.16
350.9284058	0.23
362.1899414	0.14
366.1663208	1.37
366.9393311	0.13
374.2890320	0.16
380.1508484	0.08
393.4371643	0.07
394.3526306	0.26
395.5964050	0.11
398.1251526	0.18
404.4861755	0.13
410.2107239	0.13
412.2158508	0.42
421.7926331	0.70
422.5737305	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
228.0509033	0.24
245.1960754	0.79
255.4055328	0.55
256.0369263	0.42
256.9117126	1.38
258.18573	0.37
275.1983643	0.25
281.4204102	0.59
301.9232178	1.48
303.0730591	4.53
317.0567627	78.77
318.1730347	100.00
452.9614258	0.19
463.0739136	0.17
512.394104	0.41
531.9986572	0.27
573.0628052	0.27
589.2803345	0.67
590.4258423	0.87
608.0219116	1.62
609.0758667	0.20
626.9008179	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	451.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
160.9324188	0.19
178.9842834	0.34
204.7614746	0.28
215.1655121	0.37
249.1320496	3.74
271.2523193	0.72
283.0193787	100.00
301.0731201	0.67
313.3098450	0.18
315.0134277	0.23
319.3106384	0.09
331.2510071	0.06
339.1529846	0.17
341.3859253	0.16
349.3245850	0.07
353.1492310	0.16
355.3862000	0.44
361.3398743	0.06
376.7451172	0.16
385.3647156	0.04
405.2558899	1.01
407.2159119	0.28
409.0745239	0.09
415.2701111	0.34
433.3204956	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.085
Annotation	6-Methylflavonol
Peak:m/z	Relative Intensity
79.05457306	0.58
95.17782593	0.82
103.1425629	0.52
109.0111694	0.38
114.8262787	0.37
119.0782928	0.19
122.991684	1.15
128.8873291	4.16
130.0338898	0.59
132.9833069	0.35
146.8696442	0.14
149.0444183	0.43
150.9498749	64.27
151.9729004	1.72
155.1857452	0.32
157.0453033	0.88
166.9373474	0.71
168.0475311	1.08
179.0835266	3.08
182.2155151	1.17
182.9633026	0.16
184.185379	0.25
184.9957733	2.83
190.2086334	0.16
197.1785889	3.14
198.1953888	0.11
207.1439972	0.62
210.0544891	0.14
211.34729	0.35
225.2221832	5.03
226.2860565	0.82
238.185318	10.47
239.2171021	0.57
251.0127106	0.35
253.0768433	100.00
254.1434174	10.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.13
Annotation	2''-O-p-Coumaroylvitexin
Peak:m/z	Relative Intensity
161.0167694	0.23
164.1740112	0.04
165.3458862	0.06
175.0017242	0.34
177.0911560	0.16
179.0571899	0.05
184.1672974	0.04
187.0680542	0.22
188.0726471	0.08
189.3270569	0.04
191.2761230	0.08
196.2277222	0.06
197.1119537	0.07
200.8315125	0.19
203.1497803	0.44
205.0573120	0.19
207.1795197	0.05
212.2652283	0.06
214.9011078	0.05
217.1002808	0.05
219.2140808	0.07
221.0951538	0.02
225.2492981	0.03
227.0493164	0.19
228.9698792	0.17
243.0721893	0.30
245.1470795	2.94
247.1740723	0.11
255.1075745	0.32
256.8580627	0.02
261.1261902	0.02
269.2204590	0.56
271.3468018	0.04
273.0805054	2.24
275.0650635	0.02
281.3625488	0.02
285.0907593	0.22
287.0818481	5.95
289.1027222	23.92
290.1836548	0.20
299.1754761	5.41
301.2808838	0.11
303.1524048	0.06
305.2614746	0.09
307.2439575	0.16
309.1141357	0.08
310.8870850	0.06
313.3010559	0.08
315.2479858	0.06
321.1383057	0.04
327.0995483	0.04
329.1369629	0.60
330.2382202	0.10
331.1853638	0.62
337.9596558	0.06
339.2671509	0.28
341.1834717	0.19
346.7255249	0.03
347.3410645	0.04
357.0769043	0.36
360.9695435	0.04
362.9715576	0.07
365.3138428	0.02
373.0657959	0.24
379.4396362	0.02
381.2031250	1.74
389.4274292	0.02
391.4428101	0.02
393.1524048	0.05
395.3284912	0.16
396.5242920	0.11
405.2323608	0.13
407.1353760	60.63
407.7788696	0.17
409.3326416	0.23
410.0922241	0.03
411.2727661	0.17
414.2050781	0.04
415.0696411	0.04
423.3088379	0.42
425.1074829	100.00
425.7796021	0.20
427.2110596	0.17
433.1495972	0.56
435.2308960	0.09
437.2857056	0.23
444.2219238	0.17
449.2099609	1.24
451.1102905	26.89
452.0855713	0.11
454.0218506	0.04
457.4055176	0.04
467.1284180	0.97
470.7747803	0.04
473.4698486	0.07
475.2093506	0.10
485.3847656	0.05
491.5266113	1.38
492.9776001	0.15
499.2749634	0.02
500.5422974	0.71
501.2371216	0.15
505.2664185	0.04
515.3140259	0.44
516.7773438	0.11
517.4918823	0.02
521.8289185	0.06
531.1878052	0.21
532.4427490	0.20
533.2786865	0.68
541.3027954	0.36
549.0347290	0.03
555.8236694	0.13
558.1039429	0.18
559.1771851	11.35
560.0811157	0.03
585.2257690	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.2543
Annotation	CHEBI:79290
Peak:m/z	Relative Intensity
93.10540771	0.33
99.05067444	0.69
113.0644073	0.40
141.1382141	0.69
147.1931458	0.69
158.8729706	0.26
179.4281006	0.19
197.0097198	0.62
229.118866	0.46
230.9699707	0.26
243.3630066	0.27
253.2490845	100.00
253.8551636	0.78
255.3967896	1.60
257.3008423	1.07
269.4007568	0.22
271.076416	3.92
279.27005	0.97
281.4137573	2.26
283.307251	0.40
287.4053345	0.60
297.2428589	77.36
297.9079285	0.88
299.2271423	1.22
300.2425842	1.46
316.2794189	0.39
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
108.9211807	1.15
113.0859528	0.60
115.0375977	0.34
129.0834961	1.20
157.1257935	1.16
171.2229919	0.27
173.1609497	0.26
176.9659119	0.20
179.4400177	1.19
185.0250244	0.56
199.0144501	0.96
201.0386658	1.08
209.1853027	1.46
213.2071228	2.39
215.1539917	1.38
217.2117004	0.20
225.1396179	0.81
227.1827698	0.22
229.1266479	2.46
236.7226257	0.32
239.3194885	0.84
241.4434509	0.82
243.2460632	1.84
245.3463745	0.89
251.2632141	0.20
255.3796692	1.98
257.2668152	1.52
259.2251282	2.52
263.2561035	1.36
266.7874146	0.34
269.4317627	0.75
271.3353882	3.88
273.0854492	0.40
277.3713379	0.29
283.2166443	0.41
285.0101318	0.34
285.6431274	1.96
287.3428955	0.48
293.344574	0.20
295.2475586	0.76
296.3591919	0.68
297.2626038	2.05
299.2489624	3.01
300.1511841	0.65
301.4118042	0.48
303.4945679	0.44
311.1915894	3.66
313.1227417	1.33
314.0762329	0.55
315.3044434	1.63
321.5173035	1.17
323.2042542	6.92
325.4831238	0.54
327.4545288	0.43
329.1534424	0.68
331.1595459	1.06
339.2401123	100.00
339.8410339	0.43
341.3896179	18.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	478.2915
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
149.1374207	0.15
151.2546387	0.17
163.1337585	0.16
182.1734619	0.05
195.1660156	0.17
198.0486755	0.07
216.2202148	0.09
217.2201843	0.18
238.9750824	0.31
263.23703	0.17
267.1201477	0.03
283.2502441	0.08
284.7510681	0.07
295.007019	0.07
306.3865051	0.50
313.9766846	0.05
317.519043	0.33
321.0837097	0.04
327.107666	0.10
337.2714844	100.00
337.9422607	0.43
345.0849609	0.04
353.3008423	0.05
371.6246948	0.04
380.8609314	0.03
386.7273865	0.03
390.3135376	0.08
393.3280029	0.18
397.0397034	0.06
400.3752441	0.06
401.3860474	0.22
404.1460266	0.05
411.3088684	0.08
417.2434082	0.06
420.6663513	0.19
421.5986023	0.15
422.6377258	0.05
429.0925598	0.48
431.480072	0.25
432.223175	0.08
442.460968	0.24
443.1985168	0.03
450.4383545	0.14
460.2778015	4.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	579.1481
Annotation	2''-O-p-Coumaroylvitexin
Peak:m/z	Relative Intensity
195.2997437	0.04
197.0882263	0.22
213.1044159	0.14
237.1708984	0.06
239.0803680	0.03
243.0568848	0.08
252.9626465	0.15
268.9084473	0.08
271.0724487	100.00
271.6743774	0.19
283.0303345	0.14
291.1062012	0.07
296.8952026	0.08
299.0151062	0.10
301.3003235	0.09
305.2353516	0.06
330.1213379	0.04
341.1123047	0.09
344.2794189	3.10
345.0495605	0.25
346.1231689	0.36
385.6800537	0.10
398.8152466	0.17
416.0444946	0.25
416.8813477	0.15
425.0427856	0.69
425.6945190	0.06
427.0496216	0.11
433.3384399	0.04
498.1917725	8.62
504.3173828	0.11
516.7251587	0.09
533.3892212	0.25
545.2188721	0.20
560.9598389	0.26
561.5995483	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	677.18
Annotation	Unknow
Peak:m/z	Relative Intensity
230.9323730	0.11
259.1209412	0.05
265.2088013	0.06
280.1776733	0.17
308.0029907	0.26
325.0892029	0.36
335.5842896	0.14
337.2891235	0.05
339.0753784	0.03
352.3305054	0.40
353.1197510	1.06
354.0581055	0.83
369.1565552	100.00
369.7566528	0.32
393.4163818	0.07
411.4605713	0.06
483.2330322	0.08
513.2908325	0.25
515.0478516	0.50
523.4203491	0.18
531.0166016	0.18
558.2423706	0.10
569.1216431	0.03
574.9191895	0.12
597.4375000	0.08
631.4603882	0.11
634.0558472	0.09
644.9801636	0.26
660.1368408	0.04
676.9596558	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	367.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
102.9213867	0.04
112.8993073	0.06
120.9793243	0.09
130.9438171	0.09
131.9774475	0.19
142.9476624	0.04
147.0513306	0.27
148.9192200	0.11
158.1262817	0.04
174.7657318	0.17
179.0856934	0.04
186.1123352	0.41
187.0913086	1.13
189.3323059	0.26
197.0913696	0.22
204.2669373	0.28
205.1015778	0.57
209.1038208	0.06
217.0651245	0.37
218.9455261	4.07
221.0221863	0.13
233.1392822	0.07
235.0487061	0.14
246.1721191	0.08
247.2803955	0.12
253.0299377	100.00
261.0944214	0.19
275.1891479	0.07
275.9704590	0.04
277.0805359	0.51
281.4194336	0.04
305.4315796	0.03
307.2049561	0.29
320.7360535	0.36
321.4058228	0.60
323.3770447	0.26
331.0991211	0.05
333.4169617	0.13
336.9679565	0.04
347.1420898	0.17
349.1316833	0.66
350.2629089	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.2781
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
196.0799255	2.37
213.9498596	1.86
221.0240173	0.10
279.2653503	100.00
314.2337341	0.20
333.8772888	0.21
368.0290527	0.16
377.0863953	0.13
385.9215088	0.14
386.8788757	0.06
389.9465942	0.14
394.2186890	0.25
402.3100586	0.23
410.3345032	0.21
421.1609497	0.19
429.0530701	0.11
430.1411743	0.55
432.2528687	0.12
433.2266235	0.15
439.5637207	0.26
440.5643921	0.09
457.8325500	1.16
458.7044983	0.22
459.4525452	0.05
461.2221680	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	Deoxyinosine
Peak:m/z	Relative Intensity
86.92137146	0.28
88.8301239	0.12
96.91703796	0.20
109.2218323	0.07
115.0966797	0.18
125.2368927	0.20
129.2957458	0.23
130.8956451	0.50
145.3003693	0.35
146.1369934	0.45
161.154129	0.25
164.2162628	0.24
165.9421539	0.16
179.1217499	1.46
187.3259277	0.14
189.4546967	0.14
191.076767	0.58
193.1352997	0.73
195.057312	0.37
196.7878418	0.36
205.1036682	1.35
207.1842651	6.33
208.2670746	4.36
209.312027	1.77
221.1940002	0.78
222.2052765	2.16
223.1405334	3.41
224.2938385	0.75
233.0399628	4.24
251.0800781	100.00
252.1448975	16.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
200.911026	0.11
243.2670288	0.09
247.2156219	0.14
257.0924683	0.22
275.227478	0.17
286.7142944	0.52
288.2261353	0.15
301.2098999	0.52
303.0585938	100.00
347.3110962	0.15
356.1328125	0.28
427.062561	0.13
431.2329102	0.30
445.3027954	0.22
467.1611328	0.20
473.0263672	0.27
479.0411377	0.13
543.8936157	0.49
565.2316284	0.24
567.3171387	0.10
593.1043091	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	334.1388
Annotation	Tryptophyl-Glutamate
Peak:m/z	Relative Intensity
103.7955933	0.05
114.9424057	0.04
116.9757080	0.09
125.1848221	0.05
125.9915314	0.04
131.8762817	0.04
140.6120758	0.12
143.9008179	0.08
145.9769592	0.81
149.1905823	0.14
151.9351501	0.13
158.8923340	0.68
165.9311218	0.05
172.7951813	0.12
179.4680634	0.07
188.0669098	57.71
195.2677307	0.04
198.8000488	0.16
205.0751648	100.00
207.0480042	0.12
211.0886230	0.14
212.2355042	0.22
212.9818420	0.11
221.1790466	0.08
223.0828247	0.05
227.1474609	0.06
230.2362366	0.23
231.2620850	0.17
232.0374146	0.07
232.9668274	0.06
235.1149902	0.07
243.5040283	1.05
245.1200867	0.15
253.1760254	0.04
256.9668884	0.06
259.4094238	0.06
260.1149902	0.11
262.9243774	0.28
267.1031494	0.03
270.2037659	0.08
271.1997986	1.34
272.1126099	0.08
274.9513550	0.03
278.2872009	0.04
279.1336670	0.16
285.1664429	0.70
287.7843933	0.08
288.9091797	0.39
292.2028809	0.07
293.1390381	0.21
297.9662170	0.31
299.2128906	0.10
303.0982056	0.22
304.7338257	0.04
316.2456360	4.57
317.1413879	3.46
325.1939697	0.09
333.5835571	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	388.1592
Annotation	4-Hydroxy-5-(phenyl)-valeric acid-O-glucuronide
Peak:m/z	Relative Intensity
105.1267776	0.03
108.9505615	0.09
119.0458984	0.04
126.9356842	12.39
132.9422607	0.47
139.2875366	0.08
140.0032349	0.10
142.9315948	0.04
144.8361511	3.72
146.9456177	0.29
154.0787811	0.14
157.2358093	0.08
158.8628845	0.27
162.9917145	0.20
165.0719147	0.06
166.9047852	0.15
171.0119324	0.21
172.9663391	0.32
176.6743774	0.25
183.0402832	0.07
185.0854340	1.19
186.8042603	0.10
188.9943237	7.49
194.9696808	0.27
201.1684875	3.41
203.1104736	0.06
204.9166565	0.18
209.1148834	0.05
211.7999878	0.67
213.1306915	30.50
219.1109772	0.18
224.0511169	0.17
228.2972107	0.13
231.0304565	67.10
233.3088074	0.11
248.1508179	6.09
249.0549316	25.72
266.1136780	7.14
267.4539185	0.09
274.9910889	1.00
285.3850098	0.08
291.0346985	0.60
299.2685547	0.07
302.2735901	0.27
317.0643005	11.98
317.6917725	0.22
332.4398193	0.04
335.0210571	100.00
335.6708374	0.14
344.2351685	0.04
350.9091797	0.52
352.3480835	3.75
353.0820312	18.23
370.3417053	0.43
371.1336670	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	302.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
90.8093185	0.06
95.6882324	0.06
96.9672394	0.07
98.6517944	0.07
104.9635086	0.01
108.8916626	0.05
110.7455826	0.01
119.2246933	0.01
126.9668579	0.51
131.0798035	0.01
131.8867798	0.02
132.9674225	0.26
137.0463562	0.04
140.0533447	0.23
141.0545959	0.02
143.8267822	0.04
144.9667358	2.12
146.8407288	0.65
154.9736023	0.03
157.9099426	0.02
159.0591736	0.02
162.9587708	10.20
165.2428741	0.02
167.2549744	0.02
168.0775452	0.04
171.0610504	0.08
171.9302368	0.03
173.3319397	0.03
180.0500946	3.00
185.0020599	0.11
189.0418549	2.82
190.0143585	0.06
190.9480896	0.04
195.1269379	0.18
201.0319519	0.94
203.0237732	0.37
204.1094360	0.01
206.2026367	0.02
206.8613586	0.05
213.0895996	0.42
219.0758362	1.54
225.3493347	0.03
227.1029663	0.02
229.2451477	0.03
231.0185547	4.65
239.1300659	0.01
240.0924988	0.01
243.2557373	0.01
249.0097961	4.28
253.0451355	0.10
255.1485596	0.04
255.8793945	0.01
257.0979614	0.04
258.9407349	0.07
260.7994385	0.24
265.4340820	0.03
267.0829468	3.78
274.1619568	0.06
278.8273010	0.11
284.9119873	100.00
285.5854797	0.12
287.3262939	0.14
288.1358032	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	351.94
Annotation	Unknow
Peak:m/z	Relative Intensity
157.9776459	0.29
158.9930420	0.53
169.9146423	0.07
170.8214569	0.06
175.8991699	0.17
183.7000122	0.06
200.0173035	0.05
201.9785767	2.16
215.7250366	0.11
217.9214172	0.17
219.9469299	5.43
221.2217712	0.21
226.0455627	0.18
228.0262451	100.00
244.0849304	0.05
245.8359070	20.56
247.8248901	0.08
275.7294312	0.75
277.3131714	0.65
278.0244141	2.42
290.0053711	17.40
305.1303406	0.06
307.9261169	31.36
333.9650879	0.40
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
74.97147369	0.04
96.92050171	0.08
156.717865	0.06
181.1596832	0.25
184.979599	0.07
187.0945892	0.14
191.0511627	0.11
199.0191345	0.41
200.975235	0.05
215.0188446	0.67
216.938385	0.91
223.0327301	0.07
225.2893829	0.16
227.1038666	0.22
232.8269196	0.12
233.4896698	0.22
241.258667	0.23
243.1480713	100.00
244.1034088	0.33
245.1437225	1.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	304.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
87.8236771	0.10
90.9554825	0.23
92.8463135	0.06
101.8895721	0.04
102.9954987	0.05
104.9580154	1.50
115.0039978	0.03
117.1793518	0.07
118.9525604	2.37
121.9037018	10.13
123.1687012	0.09
126.7127151	0.17
129.1682281	0.05
137.2937317	0.06
145.0598145	0.06
147.0137329	0.35
159.2245483	0.09
164.9783630	26.66
173.0773468	0.11
173.7368469	0.07
179.1144104	0.07
182.9593048	0.04
186.0682678	0.09
188.0964355	0.04
198.2630005	0.05
198.9940796	0.24
201.2199097	0.04
214.1423035	0.33
215.1514893	0.10
216.0925293	0.08
217.1141663	0.14
218.0401611	1.35
218.7752991	0.02
225.1045532	0.14
228.0773621	0.08
233.2035522	0.10
240.1352234	0.06
241.1204529	0.21
242.1410522	0.08
242.9899292	0.03
245.0795593	0.04
251.1559753	0.08
258.0432129	0.54
259.4608154	0.19
260.2877197	0.14
262.9065247	1.56
263.9642029	0.10
268.4381409	0.18
269.3695068	0.02
273.3825684	0.04
276.2287598	0.10
281.0211792	0.38
286.0407104	100.00
287.0205078	0.09
297.9491577	0.08
299.0632935	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	242
Annotation	Unknow
Peak:m/z	Relative Intensity
78.8836670	0.10
84.9291229	0.38
109.0653839	0.08
123.8751221	0.07
126.4532776	0.08
130.2836151	0.12
137.0463562	0.09
144.2017975	0.51
164.0151215	0.14
165.0922699	0.10
182.8842163	10.16
183.9075317	0.37
189.2105255	0.19
196.0068512	5.70
196.9028778	0.29
198.1587219	0.60
198.9805145	2.20
200.2317810	7.72
200.8713837	100.00
206.1379089	0.12
208.9896393	0.04
213.8451080	1.65
217.5738525	0.89
218.8530273	8.23
219.6562805	0.50
221.4384613	0.32
223.9055176	46.75
224.9553070	0.17
228.1910248	1.16
232.9629974	0.13
241.8068848	4.22
243.0474701	0.05
246.3849945	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	637.16
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
181.1225891	0.01
184.20961	0.03
186.828186	0.02
191.1302338	0.04
192.4852142	0.03
199.0082855	0.31
210.1083984	0.02
212.2773132	0.06
213.2849274	0.22
213.9592438	0.03
214.9000854	0.15
219.1585846	0.02
225.1719055	0.10
226.1442566	0.16
227.0810394	0.62
229.015625	0.07
231.190918	0.15
239.1279144	1.14
240.076416	0.07
241.1868591	0.17
242.0144348	0.16
243.1895599	0.15
244.217865	0.01
252.2652893	0.02
253.1832733	0.15
255.0921326	3.88
257.0273438	0.26
259.2513733	0.02
261.0932922	0.10
263.2595825	0.04
264.8850098	0.03
267.2549438	0.07
268.982605	0.29
270.0776367	2.88
271.0881042	1.30
272.1716614	0.18
273.090271	0.08
275.4194946	0.12
281.0154114	0.32
282.2224731	0.26
282.9976196	0.31
283.9109497	0.07
285.1578064	3.40
286.098175	0.39
287.0996704	0.73
289.0489502	0.11
293.0734863	0.09
295.1130371	0.08
296.1342773	0.02
297.1636963	0.46
298.1114807	1.50
299.134552	3.81
301.0585327	0.40
302.8690186	0.14
305.0302734	0.12
307.225708	0.61
308.8870239	0.01
311.1925659	0.03
313.0432739	4.55
314.0767822	10.24
315.0241394	0.09
316.2945557	0.03
326.0911255	0.02
327.0445557	0.22
329.0582275	100.00
329.671936	0.23
330.8197021	0.31
338.3873901	0.04
341.3400879	0.37
343.236084	1.50
345.336792	0.03
347.3129272	0.01
355.1491089	0.18
366.2789307	0.03
369.0979004	0.04
371.09375	0.85
381.3652954	0.05
382.3118286	0.10
383.1529541	0.23
395.0699463	0.06
399.0360107	0.02
401.0683594	0.26
417.4216309	0.04
422.2518311	0.08
425.2359009	0.05
426.5657349	0.07
429.3479004	0.03
437.2358398	0.03
441.1802368	0.08
443.2090454	0.12
445.5167847	0.03
456.131958	0.04
469.868103	0.05
471.258728	0.04
473.1602783	0.19
473.9057617	0.03
475.4429321	0.06
491.2210083	1.34
517.1251221	0.02
527.1623535	0.02
549.1776123	0.09
569.2684937	0.44
575.0559692	0.05
587.2141113	0.06
591.3240356	0.06
593.1626587	0.03
601.3171997	0.03
605.151001	0.22
606.5927124	0.26
614.7488403	0.06
619.2221069	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
100.8775787	3.06
102.8389435	0.18
106.5015106	0.15
112.9315338	3.67
114.9892426	0.57
116.9466400	0.07
118.9796448	4.65
125.2163849	0.30
129.4062805	0.08
131.0276642	3.27
143.0887451	5.51
149.0472870	100.00
161.0132751	7.14
164.9502106	0.07
178.9030304	25.73
183.7703705	0.19
191.0489655	0.28
205.0627899	1.00
208.7311401	0.20
220.9604492	0.42
243.1591492	1.04
250.8614502	0.25
253.1226501	0.12
254.3195801	0.19
254.9791870	0.05
256.0686340	0.04
257.2822571	0.07
266.9341431	0.07
269.0765381	0.14
281.0321960	0.66
282.8631592	0.40
295.0042114	0.38
296.1830444	0.09
297.0557861	0.16
309.3584290	0.04
313.0496216	0.45
323.0013428	2.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	461.1085
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
147.0426636	0.18
149.1202545	0.04
157.1361389	0.06
158.8044128	0.06
213.0277405	0.02
220.7070465	0.03
239.1322632	0.13
240.1342316	0.42
242.2441254	0.22
254.1599121	0.07
255.1331177	0.30
255.8781128	0.03
257.2103577	0.11
268.9866333	0.08
275.2088013	0.03
277.2246094	0.11
278.0205383	0.09
284.1007385	0.85
285.3074646	0.06
293.2442627	0.37
296.9765625	0.19
299.0490112	100.00
300.2363892	0.04
301.1305542	1.45
311.3204041	0.16
313.2694092	0.57
323.2432251	0.14
333.0525208	0.04
338.9736633	0.04
340.3025818	0.20
341.218811	0.85
343.3289185	0.04
353.0971069	0.33
365.1107788	0.11
371.137146	0.04
372.8988647	0.44
373.636261	0.05
375.0671692	0.17
385.1783142	0.06
401.6605835	0.12
407.0538025	0.03
415.1790466	1.92
420.3204651	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	398.1644
Annotation	Avicennioside
Peak:m/z	Relative Intensity
114.9467087	0.40
118.8821564	0.06
127.1030655	0.07
132.9250793	11.20
146.9259796	0.10
156.8077393	0.03
165.0283203	0.03
171.0760498	0.09
178.0334625	0.04
182.8300629	0.16
197.9115143	0.09
201.1215057	0.22
212.9244995	0.99
218.9402313	0.96
228.2019348	0.05
229.8916321	0.30
231.0710754	4.07
235.2292175	0.13
236.0586243	0.03
240.9036255	0.06
243.2752686	0.03
244.1049805	0.04
248.3033447	0.26
248.9980469	0.20
251.9894104	0.18
253.1272888	0.04
258.0527649	0.04
258.7030334	0.06
260.1137390	0.07
260.9205322	0.24
262.1816711	0.05
269.0162964	0.05
271.4468384	0.03
275.1065979	0.10
276.2451172	0.11
277.0856934	0.03
278.1047058	0.23
298.2082214	0.09
306.8541870	0.06
308.2661743	0.52
311.3477783	0.05
315.9263611	0.03
316.5271606	0.03
317.7887573	0.39
319.1096191	0.22
322.1479492	0.16
324.1764832	0.19
325.8914185	0.16
326.7485046	0.18
333.4801025	0.04
335.1956177	0.51
336.1679382	0.15
337.9798889	0.06
340.1583862	0.03
341.5671997	0.05
344.8435364	12.10
345.5072632	0.06
352.4382324	0.35
354.0254517	0.07
355.6687317	0.08
356.7601624	0.24
357.3723450	0.15
362.8833313	100.00
363.6675110	0.05
364.5345764	0.09
367.8926697	0.05
369.4630737	0.07
370.1950684	0.19
374.3579102	0.08
375.4831848	0.08
376.2554016	0.10
377.5406189	0.15
378.8528748	0.06
380.2240295	7.08
380.9521790	11.92
388.5916138	0.66
389.2858582	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0712
Annotation	Deoxyinosine
Peak:m/z	Relative Intensity
85.12761688	0.71
92.87948608	0.12
101.2292938	0.42
113.0274353	0.22
118.7820587	0.83
136.2513275	0.15
137.1843567	0.09
149.3065643	0.29
153.1651306	0.83
160.9794464	0.31
166.3333588	0.16
169.3999481	0.43
177.0539856	2.04
179.0044403	1.56
180.0772858	0.53
181.3849182	0.48
189.0128479	0.73
191.0924377	0.81
193.2105408	0.19
194.1318207	0.52
195.2475739	1.39
204.9782562	1.73
205.9926758	0.27
207.1552429	7.01
208.0392609	5.01
209.123764	1.99
221.0471802	1.84
222.0312347	1.61
222.9576111	1.38
223.5699463	0.81
224.2540436	0.67
233.1633453	4.57
251.079361	100.00
252.1372681	13.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1527
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
176.1654663	0.06
193.2402954	0.08
203.1741943	0.23
229.1824799	0.05
242.186142	0.11
245.8326111	0.06
251.1678772	0.12
255.3146057	0.13
256.9269714	0.05
272.9761658	0.05
274.1262817	0.28
285.229126	0.04
288.1866455	0.06
295.3540039	0.18
302.1159363	3.95
309.2548218	0.07
317.0639038	100.00
317.668396	0.16
329.1741333	0.09
330.932373	0.03
351.4011841	0.24
353.2932129	0.03
377.227478	0.04
383.2987061	0.02
462.8366699	0.20
467.5175171	0.06
469.6187134	0.19
483.0860596	0.13
507.0661011	0.06
519.5568237	0.23
521.6723022	0.06
525.0461426	0.13
530.6347656	0.34
533.0292358	0.06
537.5408936	0.22
561.2660522	0.09
565.6317749	0.27
567.2883911	0.04
576.7313843	0.17
581.5768433	0.24
590.1668091	0.05
606.3140259	0.29
607.3648071	0.76
610.9118042	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1526
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
184.0808868	0.03
212.788269	0.07
217.2418365	0.05
218.113678	0.12
228.8805237	0.06
245.4190063	0.06
246.293396	0.04
256.0893555	0.04
257.1413879	0.08
273.1391602	0.03
274.015564	0.49
285.2932739	0.08
287.3440552	0.08
297.830719	0.11
301.5715332	0.51
302.1839905	4.25
317.0686646	100.00
317.677063	0.36
337.5498047	0.03
369.9935303	0.17
394.8547974	0.06
399.0577393	0.04
406.9790649	0.08
427.2150879	0.15
461.3693848	0.10
463.1509399	0.54
470.661438	0.16
471.3356934	0.08
479.0914307	0.03
545.4203491	0.06
553.7924194	0.08
576.5755005	0.02
579.0956421	0.07
588.083313	0.06
589.1298218	0.10
593.0651245	0.12
594.7892456	0.06
597.494751	0.06
607.0831909	0.35
625.2678223	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.09
Annotation	4'-METHOXYFLAVONE
Peak:m/z	Relative Intensity
76.84564209	1.77
78.92784119	0.63
80.90518951	4.45
83.04747009	0.62
84.81677246	0.56
87.22651672	0.24
93.14616394	1.74
94.90205383	7.55
96.98652649	0.85
98.84120178	0.79
102.8047943	1.61
104.0843506	0.46
105.0050659	1.91
107.1830292	0.58
109.0151062	4.74
113.1817169	1.46
117.0830688	0.33
119.0943604	3.75
121.1345673	4.26
122.0687408	0.31
123.1636047	2.74
125.1405792	0.86
126.7874451	0.65
128.9433136	8.34
130.1343079	0.51
131.1716309	0.58
133.0149078	5.24
135.0411072	4.22
137.0865326	8.37
139.2049561	0.51
141.0657959	2.25
144.982193	0.96
147.0953064	2.93
150.9949188	59.98
152.0629578	6.20
153.1087494	4.52
155.1499481	3.80
156.9844055	2.64
158.9774323	1.32
161.1243439	5.58
163.1597137	0.70
164.9758759	4.60
165.9807434	2.77
167.0436859	1.88
169.0337982	4.22
171.235672	1.28
173.2028351	1.35
175.1812286	2.86
177.0224152	4.46
179.0139923	3.99
181.0598907	2.08
182.5946808	1.28
183.2808685	2.05
185.2157898	1.15
189.0217438	0.91
191.256485	0.52
193.1495819	3.03
195.1500244	5.24
196.0350342	0.61
197.0599365	5.57
201.0763397	1.27
204.9561005	1.46
206.2398376	0.81
207.14888	3.35
208.7685242	1.72
209.3708801	0.45
210.0662384	0.93
211.1959686	9.81
212.115509	0.48
217.1735687	26.41
223.1622772	1.37
225.1729584	8.93
226.4628296	0.19
228.9773712	2.12
235.114502	44.17
235.7188873	0.33
238.0681763	11.28
239.1415405	0.99
244.1226807	2.01
251.1391754	0.77
253.0886688	100.00
254.1691284	23.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	632.88
Annotation	Unknow
Peak:m/z	Relative Intensity
204.0773621	0.12
215.8766785	0.05
231.2181091	0.09
245.0224152	0.02
260.7380371	0.06
273.0158997	0.97
274.0863647	0.24
274.9268799	2.82
288.9678955	5.55
290.0357666	0.20
290.9922485	0.85
386.8428955	0.60
388.3838501	0.65
389.0855713	2.48
402.9241333	11.52
404.0177002	4.35
404.9877319	13.69
459.0094604	0.08
501.6044312	0.21
503.0490723	0.96
516.8682251	30.97
518.0828247	27.97
518.8521729	100.00
520.1455078	0.04
545.1473389	0.13
549.2083130	0.16
558.8717041	0.32
564.4777832	0.07
586.8698730	0.21
588.8323364	1.19
601.1265259	0.12
606.9052734	0.06
614.9147949	0.14
622.7001343	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	455.213
Annotation	Unknow
Peak:m/z	Relative Intensity
263.2674561	0.17
265.3788147	0.05
294.8033752	0.07
322.8793030	0.23
327.3008423	0.05
331.5121460	0.09
363.0610657	0.07
366.6318970	0.14
367.3980713	0.24
393.4357300	0.05
409.1974182	100.00
410.0057678	0.70
423.2640991	0.02
427.0739136	0.03
437.1281433	0.74
438.0622864	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.07
Annotation	naproxen sodium
Peak:m/z	Relative Intensity
94.76651001	0.25
96.96882629	1.95
110.0983582	0.35
116.9675446	1.29
123.1437683	0.25
131.1185913	1.42
135.1634064	0.35
137.2161407	0.40
148.885025	0.48
151.0275574	1.07
160.822937	0.47
167.1655884	1.12
170.8993073	0.17
173.9938507	0.65
175.1060333	2.09
176.7723541	0.89
178.2181702	0.23
179.2685394	1.49
180.2477875	0.89
180.984787	0.23
186.1511841	0.57
189.0846405	0.93
192.1042328	0.49
195.0517273	0.56
203.1641998	0.25
205.2050018	2.31
206.0625763	1.16
207.1668549	6.82
208.053421	1.51
209.1722412	3.06
211.0137939	0.27
222.0741425	2.38
223.1776886	4.94
223.8655243	0.51
233.052475	7.03
235.2057037	0.69
236.1283417	0.76
251.0657959	100.00
252.1034393	18.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	362.1223
Annotation	Cyclomegistine
Peak:m/z	Relative Intensity
112.5832367	0.05
114.9925232	0.06
161.3465881	0.09
165.2042236	0.07
170.1902466	0.09
173.2164154	0.16
175.0748749	0.04
176.0719299	0.10
192.1135559	0.06
200.1289368	0.02
210.2678528	0.09
219.4059448	0.04
223.2035522	0.11
227.5685120	0.04
231.3081665	0.02
235.1034241	0.49
237.1255798	0.04
245.1928711	0.06
253.0597534	32.32
254.9669495	0.05
257.4549255	0.02
260.1172485	0.04
262.7267761	0.10
267.6973877	0.06
270.1378174	3.75
271.0320740	0.30
272.0789185	0.09
281.1277771	7.25
284.1126099	0.26
288.1937866	0.11
289.7209167	0.03
291.0638123	0.05
294.3108521	0.07
296.7069092	0.03
298.2430115	12.21
299.0149841	27.22
300.1879883	0.21
301.9230652	0.04
310.2955933	0.06
313.1104736	0.05
316.0733643	100.00
317.5710449	0.49
318.3734131	0.15
319.0457153	0.04
320.2903442	0.06
321.0981750	0.25
326.1158142	2.82
327.1538086	0.50
328.1875305	0.06
331.3255615	0.58
333.2231445	0.06
341.1400452	0.14
343.9985046	23.06
345.0473938	15.26
362.1483765	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.06
Annotation	Unknow
Peak:m/z	Relative Intensity
99.0005798	0.04
100.8948822	1.25
102.9624481	0.89
106.4636993	0.07
112.8685150	4.92
116.8833542	0.22
118.9437256	0.43
129.0136414	0.10
130.8738251	4.56
141.1508484	0.06
142.9768829	0.84
148.9382324	100.00
158.8996887	0.26
160.8935394	2.34
162.9946289	0.14
169.8537292	0.23
173.1335449	0.08
178.9825745	8.34
183.0124207	3.55
183.9818573	0.20
191.1034088	2.82
194.0165100	0.07
196.8151093	0.16
198.2752075	0.04
207.2726746	0.05
212.0921326	0.18
215.1762695	0.05
221.0928955	49.26
223.3639221	0.18
225.2812805	0.23
233.0315247	0.23
235.1876831	0.08
237.1328735	0.23
239.2278137	0.18
240.0083313	0.05
247.0749817	0.33
251.0419922	9.52
275.0657959	0.95
281.1721191	1.39
293.1037598	1.78
311.1190186	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	479.1167
Annotation	Pedaliin
Peak:m/z	Relative Intensity
146.2007446	0.05
163.9879456	0.25
204.9883881	0.08
240.1833649	0.11
255.1387329	0.06
282.8872375	0.08
287.2191467	0.29
289.2388916	0.13
299.4007874	0.18
308.8926392	0.06
311.2880554	0.12
317.1602783	100.00
327.4871521	0.69
355.1832275	0.08
356.3269653	0.50
358.0509338	0.18
359.2052002	0.37
368.5599060	0.07
370.4900513	0.09
371.3661194	0.32
381.3936462	0.11
388.5690308	0.12
398.2968750	0.10
413.0875244	0.19
425.1382141	0.21
450.7546082	0.05
461.0851440	1.57
469.9678040	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	505.133
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
167.0398865	0.12
183.1917114	0.03
213.2749939	0.05
255.1809998	0.07
283.3809204	0.16
287.1630554	0.33
301.0773926	52.52
302.0861206	100.00
303.1452637	0.11
311.5327454	0.05
313.1287842	0.04
338.1716309	0.08
344.1672974	0.83
346.0845337	0.10
361.4692078	0.07
376.9924927	0.03
384.941864	0.11
391.0968628	0.06
412.6051331	0.14
419.4361572	0.19
420.0943909	0.06
446.2789001	0.09
448.2361145	0.05
457.7568054	0.11
470.5993042	0.10
488.1169739	0.10
493.837677	0.28
506.9571838	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.16
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
174.9775085	0.05
185.19133	0.24
196.9799805	0.09
202.1001587	0.45
220.6023865	0.04
229.0738983	0.15
230.1532135	0.73
255.6883698	0.10
256.9955444	0.08
257.9910278	0.70
268.1536865	0.18
269.3625183	0.14
286.1604004	4.61
297.4480591	0.06
301.079895	100.00
301.683197	0.37
308.6137695	0.05
329.2670288	0.05
343.4674683	0.03
355.2167969	0.12
387.7978516	0.16
405.1876831	0.07
447.3272095	0.58
458.0028687	0.12
463.2252197	0.39
477.2504883	0.24
519.2913208	0.08
551.3742065	0.05
554.4036255	0.08
563.1557007	0.08
564.1235352	0.15
565.4237671	0.13
571.0903931	0.05
579.4934692	0.05
586.421875	0.19
589.4717407	0.12
590.8366089	0.38
592.3084106	0.31
595.0710449	0.08
600.3048096	0.17
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
116.0126572	1.13
129.8831787	0.50
132.9435425	0.06
143.9255676	2.43
146.1306000	0.06
150.1824188	0.07
161.9889984	25.35
172.9740753	0.09
178.9757690	100.00
185.0054474	0.02
186.0534058	0.02
198.1566772	0.02
199.0119324	0.19
204.7699280	0.06
205.5652466	0.06
206.1939697	0.05
211.9705200	0.15
214.9890137	0.21
226.0132751	0.03
227.0883484	0.10
233.0625305	15.04
243.8712158	0.09
245.0683899	1.23
258.6897583	0.04
262.0324707	0.13
272.1061401	1.57
273.0622253	0.03
285.1885681	0.02
290.1117554	5.10
291.0253296	1.35
299.8657227	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.0564
Annotation	Sinapoyltartronate
Peak:m/z	Relative Intensity
102.9786377	0.81
112.9888535	3.94
126.8634644	0.01
130.9328918	1.42
134.0059204	0.34
145.1513062	0.06
148.9679871	3.14
162.9881592	0.10
178.1132050	0.68
183.1572266	0.01
193.0269928	100.00
194.2771301	0.10
205.1257019	0.06
225.8413696	0.01
235.0038452	1.44
265.1586304	1.67
278.8254700	0.08
280.9382324	0.23
290.2550354	0.02
294.8631287	0.12
297.2999878	0.04
307.0287170	0.29
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
145.0597229	0.13
169.0162354	0.17
170.9962158	0.96
173.0394897	0.96
185.2462921	0.15
186.9989929	1.65
199.0548096	1.61
201.0899658	2.15
203.3639526	0.48
213.0504303	1.44
215.0507202	1.69
217.2321167	0.13
227.0832825	0.47
229.1965332	2.70
231.2723389	0.23
238.9744263	0.22
241.218689	1.56
243.2705383	1.17
245.497406	0.70
255.2577515	2.29
257.2944031	2.97
259.2151184	1.06
263.3440857	1.27
265.4594727	0.09
267.0039368	0.54
269.2047119	2.18
271.1304016	2.14
273.18927	0.43
277.2286987	0.17
283.3763428	1.04
285.3118896	4.38
287.2222595	0.84
290.664856	0.36
295.7807312	1.17
297.2945557	2.63
298.1644287	0.27
299.2081299	2.11
311.2185059	1.53
313.1821899	3.26
314.1295166	0.09
315.2956543	0.46
317.7629395	0.72
321.374939	1.44
323.3293152	16.39
325.3529053	0.35
336.9855347	0.50
339.2554321	100.00
340.0932617	0.05
341.34729	13.45
345.2226562	0.19
351.1089478	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
191.2041016	0.06
203.0057983	0.07
217.0002594	0.06
217.9567566	0.22
221.1119995	0.05
236.2493591	0.10
246.3137665	0.09
255.1107483	0.04
257.1904297	0.08
271.0126038	0.07
274.0549316	0.87
281.074707	0.03
284.1370239	0.02
285.1838989	0.06
297.4779053	0.04
299.1575317	0.04
300.2391357	0.02
301.4298706	0.60
302.1488342	3.04
317.0604248	100.00
317.8387146	0.58
323.2193604	0.03
352.1169434	0.04
362.3757324	0.06
363.078186	0.04
367.3165894	0.04
429.434021	0.06
437.5245972	0.05
451.1004639	0.05
463.2207031	0.24
469.4189453	0.10
478.9290161	0.21
501.3936768	0.02
518.9703979	0.08
565.1449585	0.08
605.6837769	0.09
607.3358765	0.21
639.1974487	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
189.0699615	0.02
202.9616241	0.02
217.0176697	0.05
218.0022888	0.06
219.1950989	0.05
228.3890533	0.04
229.0072632	0.06
232.0427246	0.05
244.7703857	0.02
246.2021484	0.07
261.1022949	0.07
274.1469421	0.67
285.1859436	0.04
300.9293823	0.05
302.1663818	3.63
317.0601501	100.00
317.6864624	0.41
332.250061	0.05
349.2553711	0.06
381.3555908	0.02
425.5302734	0.09
445.1779175	0.11
463.1501465	0.16
471.4202271	0.12
479.1472778	0.02
481.2481689	0.03
490.4158936	0.04
491.4419556	0.03
525.0790405	0.04
531.2632446	0.01
533.4799194	0.07
543.5220337	0.07
559.4053345	0.06
571.4708252	0.10
593.4696655	0.09
607.4899902	0.11
612.9956055	0.22
625.906189	0.02
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
128.8730164	100.00
171.2377167	0.10
197.1822052	0.16
212.8283386	44.94
251.1948547	0.06
253.0524902	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	726.181
Annotation	Unknow
Peak:m/z	Relative Intensity
228.0489349	0.04
229.0033417	0.20
230.8242188	0.13
247.1604614	2.28
259.1713867	0.11
261.0953979	0.15
263.0961914	0.05
271.1561584	2.01
277.0716248	0.05
285.1818237	0.02
287.1324158	1.59
289.1333923	4.39
299.2670593	0.05
301.1803589	0.57
312.8634033	0.07
331.1515198	0.25
340.8945007	0.07
379.1199341	0.07
386.8609619	0.06
391.1752319	0.02
397.0845337	0.14
407.2198486	0.62
409.1939087	4.33
415.2628174	0.05
417.1591797	0.09
421.3441162	0.21
423.1933594	0.19
425.0967407	4.50
433.1942749	1.20
437.4440918	1.09
438.1385498	4.07
439.1095581	0.24
450.9921265	3.24
451.6080933	0.05
531.1129150	0.13
538.2440186	0.02
541.2001343	0.53
556.2380371	0.04
557.0158081	0.06
559.1804810	5.94
563.3424072	0.05
577.0182495	100.00
577.8308716	0.33
606.6093140	0.05
635.1232300	0.05
702.6334229	0.03
708.4752808	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	333.21
Annotation	5(S)-HpEPE
Peak:m/z	Relative Intensity
134.1986389	0.11
137.1171265	0.66
142.9718475	0.37
153.0737	0.27
160.9992065	0.56
171.1619873	0.30
183.4029236	0.53
185.1829376	0.23
187.1538239	0.11
189.1544495	0.17
197.016449	0.22
201.2405853	0.28
209.1831055	0.37
219.1407776	0.49
221.2442017	1.80
225.2301331	0.36
227.1002502	0.78
229.2321472	0.36
235.4968567	0.16
236.1080627	0.28
239.2840576	0.48
241.9848022	0.43
245.3835449	0.77
248.8971252	0.59
253.3862305	0.16
255.2814026	9.81
257.4038391	0.51
261.2456665	0.31
263.9115601	0.29
268.8753662	1.07
271.244812	12.50
273.2472839	1.41
277.4403687	0.52
279.2801208	0.40
287.0486755	32.16
289.057373	1.74
297.2958984	10.67
298.1138916	0.36
299.3346252	1.97
301.2056274	0.43
315.204071	100.00
316.36026	0.99
317.2265015	0.93
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
182.9333649	0.13
190.9451294	0.32
200.9042358	0.31
219.4667358	0.34
229.2760468	0.24
233.9177856	0.11
258.0371094	0.23
269.3215332	0.33
283.5507812	0.21
284.3313599	0.19
287.0264893	0.45
301.1916809	1.45
303.0568237	100.00
329.2461548	0.87
348.1158447	0.14
350.2167969	0.10
351.1531982	0.20
429.6098633	0.44
432.6500854	0.32
449.3869629	0.35
465.1223145	0.36
555.3889771	0.05
566.3978271	0.16
575.0736084	0.12
580.6114502	0.15
583.3518677	0.37
592.4716797	0.32
593.3123779	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.0928
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
92.8821106	0.10
98.92199707	0.06
101.3119812	0.09
113.1369858	0.25
116.9303818	2.50
118.9460144	11.49
126.8875046	0.09
135.0991211	0.07
143.1347198	0.18
145.0260315	100.00
147.2545471	0.10
149.101944	0.07
159.1056519	0.64
161.140564	0.67
163.0414429	85.25
171.235733	0.07
172.972702	0.62
177.0359497	0.27
181.0734253	0.26
184.3050079	0.08
186.9841614	52.08
189.025238	0.36
191.1044006	0.49
199.365509	0.06
203.1888428	0.29
205.0316772	10.53
215.0948181	0.11
217.1339111	2.93
227.0543823	0.15
229.1081543	1.21
235.0810852	9.55
237.2129822	0.07
241.2277832	0.19
245.0350952	0.62
246.8227539	0.27
265.1434326	19.77
278.9854126	2.14
280.692749	0.42
281.3071289	0.47
289.2189941	5.99
297.1761169	0.38
307.1713867	2.54
309.4306641	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
203.1369019	0.06
212.2449646	0.04
218.0130615	0.14
229.0150604	0.04
240.2112274	0.02
246.0936432	0.02
255.8555298	0.18
257.0064697	0.03
261.18573	0.03
268.8633728	0.03
270.1667786	0.03
271.1622925	0.04
273.0129395	0.04
274.0864258	0.17
280.9932251	0.07
285.3062439	0.03
302.1639404	2.93
305.3917847	0.03
312.7054443	0.02
317.067627	100.00
317.9968262	0.04
353.4741211	0.05
381.2271118	0.05
410.8521729	0.04
441.3617554	0.02
455.31073	0.08
463.2094727	0.39
471.2913818	0.44
477.4738159	0.03
479.1104736	0.11
486.2216187	0.05
487.3590088	0.03
488.9853516	0.06
563.4437256	0.02
565.2487793	0.04
579.4956665	0.02
589.5928955	0.05
592.56427	0.04
604.8470459	0.05
607.2265015	0.21
608.0316772	0.05
617.0012817	0.15
620.6312866	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	817.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
228.9461975	0.09
233.1170959	0.09
235.1203156	0.15
245.7885132	0.19
259.1028442	0.19
261.1636963	0.60
271.2975464	0.17
273.2369995	0.05
281.3818970	0.06
284.0705566	0.11
298.1618652	0.13
299.2031860	0.26
303.0118103	0.16
305.0556641	0.14
307.1142578	0.09
313.7006226	0.41
314.3824463	0.69
325.2014160	0.14
327.2178040	0.03
329.1706543	4.91
331.1572266	0.14
333.0744019	0.06
343.3334656	0.24
347.1930542	8.50
353.0827026	0.32
357.2990723	0.04
370.5610962	0.23
371.1651001	5.47
382.9550781	0.12
385.2748413	0.07
389.2857056	0.17
395.2137451	0.37
401.2526855	0.54
413.2289429	0.60
419.3225098	0.10
447.2241211	0.05
455.5164795	0.06
463.3891602	0.11
473.4110107	0.29
475.2659912	1.42
491.1924438	2.33
501.1760254	5.96
509.1865845	100.00
519.1893921	1.42
525.3295898	0.33
543.4755859	0.04
580.1948853	0.05
581.1871948	0.21
609.1683350	0.13
637.2080078	12.49
637.8433228	0.07
645.4143677	0.05
655.1813965	31.32
655.8436890	0.13
661.3428345	0.07
663.0457153	3.83
663.6795044	0.03
667.1470947	0.07
679.2123413	6.54
697.2598877	0.11
709.1539307	0.15
714.9481201	0.05
721.2215576	2.19
763.2245483	0.04
781.2092896	1.26
789.1892700	0.14
799.2041626	8.30
802.1047363	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	623.17
Annotation	4,2',3',4'-Tetrahydroxychalcone 4'-O-(2''-O-p-coumaroyl-6''-O-acetyl)glucoside
Peak:m/z	Relative Intensity
259.5370483	0.25
269.9530945	0.09
286.1312866	0.20
287.1163635	0.30
299.2824707	1.08
301.3522034	0.23
314.3070679	2.27
315.2220459	0.69
315.9967651	0.25
327.3339539	0.17
331.1557007	100.00
461.2518311	0.44
468.8451538	1.48
527.0949097	0.13
545.1196289	0.10
563.0942993	0.33
567.3591309	0.82
595.2170410	0.17
605.1524658	0.75
606.4775391	0.32
614.7905273	0.26
628.8989258	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	577.1345
Annotation	2''-O-p-Coumaroylvitexin
Peak:m/z	Relative Intensity
160.8683777	0.12
165.0610657	0.09
175.2117615	0.31
185.1337280	0.11
187.1729126	0.10
201.0602417	0.31
203.0591431	0.38
205.1341248	0.17
213.0832825	0.13
217.0256348	0.06
227.1107483	0.21
228.8873291	0.08
243.1137238	0.24
244.0295258	0.13
245.1241760	2.56
247.0819855	0.10
250.9725952	0.17
255.0530090	0.14
257.0504761	0.14
261.1912231	0.16
269.2586365	0.27
271.1480103	0.16
272.2280884	0.08
273.1115723	1.21
274.9149780	0.06
285.1403198	0.22
287.1080322	6.99
289.0944214	15.95
294.2176208	0.08
297.2523193	0.08
299.1631165	5.09
300.9976196	0.07
306.0177002	0.22
315.1633606	0.05
326.0502930	0.05
327.0256348	0.12
329.3145752	0.13
331.1627808	0.27
339.2614746	0.11
343.1589966	0.11
344.8408813	0.13
349.0612183	0.08
353.4678345	0.09
357.0782471	0.40
367.3052368	0.23
369.1602173	0.05
381.3254395	1.38
397.4034424	0.44
407.1409302	57.60
407.7562866	0.15
409.3230591	0.15
411.3248901	0.05
414.1605835	0.08
415.4179688	1.71
416.0487671	0.18
423.2692261	0.23
425.1161499	100.00
431.2944946	0.16
433.3591919	0.54
436.1975708	0.04
437.3470459	0.10
441.1140747	0.10
442.3026733	0.09
443.2380371	0.21
445.2029419	0.04
449.3295898	0.30
451.2031860	24.82
461.2337646	0.07
467.2803345	0.89
474.9392090	0.19
480.4543457	0.08
485.3143921	0.10
496.4692993	0.07
500.5210571	0.54
504.2810059	0.04
509.4745483	0.10
513.1177368	0.27
515.2041626	0.48
531.2100830	0.54
533.4794312	1.14
549.5230103	0.04
550.9766846	0.05
553.2221069	0.07
557.0862427	0.20
558.6725464	0.27
559.2919312	7.42
568.0450439	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	565.07
Annotation	Unknow
Peak:m/z	Relative Intensity
234.9895935	0.52
239.0489502	0.05
240.1091919	0.21
255.7393188	0.17
264.8459167	0.56
273.8446045	0.05
276.9177246	0.92
294.9612427	5.29
305.0905762	0.09
307.1473083	0.91
312.9600830	0.17
314.4835205	0.16
324.9743042	16.35
326.4633789	0.12
336.9999390	0.13
349.2644653	0.08
354.9302979	6.16
361.3698120	0.08
367.1515503	0.21
380.1105347	0.08
385.0756226	100.00
386.8341675	0.25
400.6273193	0.33
403.0646973	0.21
408.5544434	0.23
415.0322266	35.66
429.1394653	0.07
430.9544678	0.17
436.2858276	0.19
445.5063477	0.23
447.0299072	0.49
455.8181763	0.07
457.0529785	0.18
466.7479248	0.31
474.7888794	0.91
476.6627197	1.36
477.2765503	0.15
483.5969849	0.91
504.5841064	0.08
506.9652710	0.27
511.5753174	0.11
518.5779419	0.21
519.6170044	0.19
520.6056519	0.09
522.9653931	0.10
523.6333618	0.15
529.3046875	0.39
546.2463989	0.39
547.3368530	0.39
548.3646240	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	149.0091
Annotation	Tartaric acid
Peak:m/z	Relative Intensity
58.9770660	21.76
72.8467407	2.01
74.9170227	0.21
86.8752518	77.98
87.5051270	0.53
89.1899414	0.38
102.8697662	100.00
103.6828613	0.31
104.9316406	2.94
115.0399628	0.39
129.0997009	0.15
130.9015961	53.91
148.9033356	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	556.85
Annotation	Unknow
Peak:m/z	Relative Intensity
176.4725647	0.09
390.0358276	0.07
396.1278076	0.04
401.1314697	0.07
418.6134033	0.11
422.7455444	0.05
424.3801270	0.03
492.8932495	31.66
510.1517944	2.07
510.7720337	3.26
520.9183960	0.39
529.2900391	0.04
534.0797119	0.03
538.6674194	100.00
539.3388062	0.12
539.9953613	0.03
548.0161133	0.16
554.0957642	0.13
555.2947388	0.35
555.9336548	0.87
556.7277222	0.37
557.7525024	0.04
558.6456909	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.142
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
216.1363525	0.33
218.9094238	0.11
226.9155273	0.07
257.390625	0.57
283.0564575	0.19
287.0562744	100.00
287.678894	0.46
300.2533875	0.17
357.0512695	0.09
361.0586548	0.10
389.8552856	0.26
393.3493042	0.15
423.2880249	0.27
449.2235718	0.36
483.1019897	0.07
495.5862427	0.22
500.0178833	0.10
535.2689819	0.13
537.1022339	0.18
547.2363281	0.08
548.8872681	0.32
563.586853	0.45
570.4385986	0.87
576.7247314	0.28
577.4783325	0.27
585.6516113	1.08
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
140.2094269	0.04
152.9923706	0.50
196.0670929	2.69
212.465271	0.03
214.0995789	1.01
237.3984375	0.11
255.2301636	100.00
255.8777771	0.25
274.0455933	0.05
291.2515869	0.03
332.3543701	0.11
365.4283447	0.10
391.4297485	0.37
398.2565002	0.13
406.4797668	0.25
434.0392151	0.05
435.6528931	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	449.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
149.2127380	0.13
161.1069794	0.37
178.5716248	0.29
179.1722107	0.34
198.9927673	0.11
201.2586670	0.12
204.6631165	0.52
225.4286041	0.04
228.9685059	0.07
243.1758118	0.26
245.3154297	0.09
249.1273193	4.27
283.0453491	100.00
287.4450073	0.41
299.3840332	0.48
301.4056702	0.17
307.2387085	0.10
316.3367310	0.22
317.1835938	0.42
321.9776306	0.07
323.4929199	0.06
325.4919434	0.14
329.3219604	0.27
335.3716431	0.04
353.2450562	0.25
359.3061829	0.05
361.2169189	0.28
387.3208313	0.33
389.3277588	0.48
401.1821289	0.04
403.1914673	0.14
405.2471008	0.36
413.5379028	0.10
419.4317322	0.04
423.8217468	0.12
431.1237183	0.70
440.3849182	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.1589
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
201.0756683	0.09
201.9427032	0.01
213.0288239	0.16
229.2131348	0.14
230.2199554	0.25
231.070816	0.01
241.2536163	0.01
243.2011414	0.03
244.1107178	0.03
245.2531738	0.01
253.2272034	0.06
257.3797607	0.02
258.1122742	0.50
268.3135681	0.14
269.2356262	0.07
286.0548096	6.97
286.6914673	0.03
301.0690308	100.00
301.6893921	0.38
447.199646	0.08
463.0341187	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.1591
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
175.0575562	0.07
184.9596558	0.04
187.1177368	0.05
189.8413696	0.01
200.9381714	0.17
202.3008118	0.08
203.0809784	0.03
211.9225159	0.09
213.1126404	0.04
214.1811066	0.14
216.9545441	0.05
220.918457	0.02
229.8964996	0.46
231.2783356	0.18
243.2569275	0.02
245.0142822	0.05
255.1398621	0.03
257.0182495	0.09
258.1647644	0.68
259.0809021	0.60
268.0417175	0.04
269.2017822	0.12
270.0281982	0.04
273.189209	0.05
283.3146362	0.10
285.1195068	0.03
286.0894165	6.02
287.1546936	5.61
301.0747986	100.00
302.0860291	99.46
303.1650085	0.07
355.2026367	0.04
447.2894287	0.15
448.3283691	0.16
463.2426758	0.04
478.1146851	0.05
591.9890137	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	225.0615
Annotation	D-Hamamelose
Peak:m/z	Relative Intensity
87.0896301	0.09
89.0591583	0.19
100.8257751	0.11
107.1117706	0.02
112.9396210	0.12
118.9854584	0.38
120.8512573	0.02
131.2777557	0.05
143.0376129	0.37
148.9554291	0.11
160.9958649	1.21
178.9257050	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1522
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
179.0689697	0.03
187.3091278	0.01
217.2124176	0.01
218.2193909	0.06
228.1378326	0.10
228.9673767	0.02
246.0279388	0.11
257.1462708	0.03
257.8464966	0.02
274.0995483	0.54
298.4678345	0.02
300.9555054	0.16
302.1746826	3.58
307.4031372	0.06
309.3016968	0.03
313.3789673	0.01
317.0737	100.00
317.7167969	0.51
351.5081787	0.06
357.4136963	0.06
416.8966675	0.01
435.2467041	0.03
443.3130493	0.02
463.1948242	0.16
471.3969116	0.02
477.6141357	0.02
479.2036133	0.02
489.4588623	0.03
504.8876953	0.04
607.4701538	0.10
612.1952515	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	252.07
Annotation	Thiorphan
Peak:m/z	Relative Intensity
128.9411011	0.14
134.0817871	0.44
146.8872833	0.17
149.0854645	0.13
150.0034332	0.05
166.1793213	0.12
174.0901031	0.09
175.1012268	0.22
181.6168671	0.74
195.3295746	0.10
196.0086517	0.21
203.9844818	0.16
208.0768433	3.70
209.150528	2.35
210.2116852	0.47
222.1170807	0.40
223.1697693	1.72
224.0691071	3.41
237.1496429	0.16
252.0793457	100.00
253.1647797	10.74
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	332.1329
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
93.8600311	0.02
106.0840073	0.07
107.9438019	2.24
115.9650116	0.02
117.9469452	0.07
121.9402924	0.06
123.0235519	0.04
123.9770279	0.24
124.9697113	0.01
126.9207077	0.01
128.7390289	0.06
133.9998474	0.80
135.9305725	1.45
136.5824280	0.03
145.1253052	0.05
150.1140747	0.05
152.0575562	6.99
153.9647522	0.13
157.2131805	0.01
162.2564087	0.05
163.1246033	0.04
165.0125122	0.03
170.0980682	8.36
175.1601105	0.04
175.9615479	0.04
177.7377472	0.02
185.9397583	0.01
206.2201691	0.02
212.0850830	0.04
213.8869629	0.02
220.1738586	0.03
226.6046448	0.02
229.1355286	0.06
232.1785278	0.03
234.0138550	0.01
241.8985596	0.12
245.1394043	0.02
247.5596008	0.02
250.1152954	0.02
254.3494568	0.02
256.6542358	0.03
257.2571411	0.01
260.2419434	0.03
264.2108154	0.01
266.2555542	0.01
268.3995361	0.03
271.3419189	0.01
272.1113892	0.04
277.1053772	0.07
278.2098999	0.13
279.0451660	0.02
284.3220825	0.01
288.2291870	0.07
291.1072388	0.02
296.1482239	0.29
297.1938477	0.03
301.0234070	0.02
304.0559387	0.01
314.1766663	100.00
315.0918579	0.07
323.0214844	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.29
Annotation	Unknow
Peak:m/z	Relative Intensity
197.2165375	0.08
215.2836456	0.15
220.8002930	0.21
225.3268738	0.19
315.3390503	0.06
324.1169434	0.04
325.3886108	2.50
326.3676147	0.11
327.4298096	1.13
331.1804810	0.24
333.0136719	0.10
343.3064575	0.75
351.0202026	0.10
357.2012329	0.08
359.2059326	0.18
365.2288208	0.07
369.2473755	13.73
370.3222046	0.27
371.4224854	1.48
381.6790161	0.13
384.9347534	0.04
387.3752441	14.58
408.0502319	0.21
411.4006348	0.24
429.4406128	0.76
441.2594604	0.09
447.2253418	0.09
451.0165405	0.16
457.3931885	0.31
487.3414917	0.64
489.7827759	0.44
495.2103882	0.11
503.0845337	1.56
505.3906860	100.00
506.3862915	1.12
513.5362549	0.19
519.4268188	0.13
521.0157471	0.16
531.3206177	2.52
549.0358276	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	625.1553
Annotation	3-Demethylchartreusin
Peak:m/z	Relative Intensity
182.9880524	0.07
187.1463928	0.52
188.2801666	0.14
189.1456451	0.25
191.4584351	0.07
192.1620636	0.09
193.1307373	0.98
195.3434143	0.07
198.0102692	0.37
198.9720306	0.17
201.3981781	0.04
205.0638123	0.32
206.0427856	0.03
207.2934723	0.04
209.0844116	0.04
211.0538940	0.46
212.1488037	0.44
213.0938721	0.34
214.1747437	0.12
215.1351013	0.73
216.0397644	0.72
219.1308899	0.12
221.2089386	0.05
224.2813721	0.09
226.0448914	0.04
227.2574921	0.82
228.1297607	0.26
229.1286774	0.75
231.0904236	2.19
233.1404419	0.34
234.1554565	0.06
235.0425110	1.10
237.1711426	0.03
239.2981873	0.17
240.1226196	1.09
240.8423462	0.05
242.1031342	0.06
243.1517029	0.21
245.3516541	0.11
247.0994568	0.54
249.0876160	0.25
251.3027802	0.04
255.0988464	1.04
256.1705627	0.86
257.0734253	0.85
258.1318970	0.49
263.2551270	0.06
264.7622070	0.73
265.3666687	0.79
267.1258240	0.72
269.9305420	0.21
271.0802612	0.14
273.1459045	7.69
279.2817993	0.09
283.0962524	1.78
284.0671997	24.41
284.9405518	0.12
286.8276062	0.11
289.1410522	0.18
295.1696167	0.15
299.0852051	100.00
299.6992798	0.37
301.2186890	0.32
303.1409912	0.10
307.1677246	5.19
311.0838013	0.72
313.3176270	0.16
315.1191406	0.74
316.0911865	2.25
317.1978149	16.65
323.1590271	0.25
324.5558472	0.04
325.2288208	0.75
327.2944336	0.11
329.1741943	1.25
331.5034790	0.05
339.2556763	0.18
341.1697998	0.11
345.3487549	0.19
355.2167358	2.20
357.4358521	0.08
359.1738281	1.32
363.2500610	0.15
364.9024658	0.28
371.1408081	0.09
375.1158447	0.13
379.0453491	0.06
384.8775635	0.17
389.0106201	0.15
393.3933716	0.18
399.2151489	0.07
401.4515991	0.14
402.9669800	0.21
415.1561890	0.51
417.0689697	0.05
419.3226929	0.90
425.3159790	0.05
435.1390991	0.46
443.2984009	0.04
445.3806763	0.17
449.3443604	0.08
457.3421021	1.55
458.2875977	0.21
461.1486816	0.20
462.0772095	0.16
463.2452393	1.28
471.1535034	0.08
475.2303467	69.03
479.2387695	19.24
483.2820435	0.08
489.2413330	0.47
497.4362183	0.09
499.2492676	0.16
501.1239014	40.43
515.2747803	0.14
531.6198120	0.05
535.0708008	0.27
537.3483276	0.44
539.1689453	0.41
541.4622192	0.05
552.4633179	0.05
563.2920532	0.13
578.0076904	0.04
579.7251587	0.03
581.2306519	1.56
589.3283081	0.03
589.9307861	0.05
593.1768188	0.15
597.0028076	0.16
607.1486206	4.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	303.07
Annotation	1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol
Peak:m/z	Relative Intensity
128.9129944	0.84
213.1987000	0.10
218.8451843	100.00
220.0485840	0.13
241.3806763	0.06
257.0286255	0.19
285.2466125	0.11
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
153.0203094	0.23
195.4095764	0.83
196.1559143	2.44
214.0968781	0.60
255.2383118	100.00
255.9804382	0.52
259.1867371	0.51
271.3443298	0.13
365.3372803	0.25
381.7236023	0.11
385.1250916	0.18
388.5605469	0.15
391.66745	0.50
406.3569641	1.47
408.1088867	0.18
409.205658	0.26
414.851593	0.09
434.1990051	1.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	463.0874
Annotation	Spiraeoside
Peak:m/z	Relative Intensity
151.0235748	1.14
167.1023254	0.07
179.0721436	1.63
187.1014404	0.06
188.7050629	0.07
189.3483124	0.11
189.9539795	0.07
193.1683655	0.04
196.9734802	0.03
203.1374969	0.05
205.1845398	0.10
209.223999	0.05
217.0366516	0.23
219.2333374	0.07
221.215271	0.16
228.1187744	0.11
229.0797272	0.12
233.1245422	0.10
235.1511841	0.10
240.1245117	0.12
242.3733215	0.12
247.1677551	0.14
255.0377197	0.41
256.0994263	0.03
257.1095886	0.14
266.3549194	0.05
271.146637	0.50
273.0117798	0.05
283.397522	0.06
285.0315552	0.07
297.1299744	0.09
300.1627197	29.79
301.0409241	100.00
302.0299377	1.13
309.2532959	0.07
313.3651428	0.19
315.395874	0.14
316.2058105	0.11
325.1537476	0.54
327.2282715	0.12
331.2044067	0.26
336.9846497	0.21
341.1236572	0.05
341.9083252	0.34
343.1889648	1.31
344.5736694	0.12
347.3769836	0.10
354.8931885	0.37
357.4396057	0.12
367.1294556	0.06
373.1772766	0.18
375.4231567	0.06
385.22995	0.05
395.3879395	0.19
401.3349304	0.06
403.26474	0.22
406.8977966	0.10
417.0747986	0.04
418.9056396	0.14
431.9447632	0.08
445.1388245	1.19
446.1221008	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	460.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
131.0681915	0.19
136.0564728	0.05
148.9161377	0.67
165.9593201	100.00
167.1883392	0.32
177.7391968	0.15
222.9079285	0.10
275.0490723	0.29
277.2528992	0.28
295.0380859	0.17
297.2126465	0.14
298.1900635	0.12
310.0791016	0.45
313.0189819	0.14
314.1573486	0.23
324.8098145	0.19
362.6326599	0.16
387.4508667	0.07
406.0841675	0.05
441.6106873	0.24
442.3081970	0.32
443.0802612	0.25
451.8310242	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
101.9174271	0.08
104.9306793	0.16
106.8366928	1.19
107.454567	0.47
109.0832977	2.11
111.1650085	0.61
113.0539551	0.20
116.737915	0.28
118.9536057	0.35
121.0421829	3.12
122.7631226	1.33
125.0227509	0.48
127.0456543	0.14
131.0647888	0.27
133.0172882	0.56
135.0450897	2.91
136.9215546	0.55
141.1698608	0.51
143.1729431	0.67
145.1599121	0.06
146.9829407	2.54
149.0906067	3.18
151.0967712	0.80
153.0875549	0.27
155.0187683	0.16
156.9861755	1.44
159.1523438	0.88
161.0207672	2.85
163.1015015	0.58
164.9888611	0.51
167.1672668	0.18
169.1444855	0.82
170.9753876	1.40
173.0492706	0.96
173.953949	0.15
175.1711121	1.16
177.2404785	0.67
179.0113831	0.57
183.0483551	0.58
184.9555359	0.26
187.0589447	0.94
188.8976593	1.80
190.2685699	0.17
191.2497406	0.21
195.2337341	0.16
197.1918182	0.39
199.1718292	0.19
200.1896057	0.25
203.2578735	0.50
207.1429138	0.55
209.1068726	0.30
211.1825256	1.83
212.9414062	0.16
215.2645874	0.29
216.9326172	0.78
221.1190491	0.37
223.2256165	0.41
225.1459656	0.11
227.2512817	0.69
228.9859009	0.12
231.0774536	0.65
233.2233276	0.14
234.9699402	0.24
236.1437683	0.09
237.1864929	0.87
239.2320557	0.19
241.2185059	0.53
242.9603577	0.09
245.1975403	0.98
247.1983948	7.09
249.2636108	0.11
252.4302368	0.58
253.169281	0.38
254.1033936	0.65
257.292511	0.42
259.2901611	1.00
263.2368164	0.10
265.3702698	0.40
266.8377991	1.44
268.2481995	0.25
269.254425	0.44
271.2591553	1.37
273.0273743	0.28
273.6723022	0.08
278.4043274	0.16
279.1448669	0.49
281.1484375	0.48
282.0592651	0.37
283.2171936	0.79
285.4558411	0.15
287.213623	0.09
292.459259	0.23
295.2798462	2.45
295.9814453	0.09
297.2490234	0.21
299.1958008	2.44
300.1419983	2.31
302.6593018	0.62
305.1348572	3.63
307.2487793	0.80
310.4648438	0.05
313.2429504	0.06
320.3192749	0.59
323.2329407	100.00
324.3972778	0.26
331.999115	0.38
332.7571106	0.90
340.2518616	0.13
341.0753479	1.26
341.6756897	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
192.0574341	0.35
216.9523926	0.39
246.1343842	0.78
260.2524414	0.21
261.0627747	0.69
274.3117065	0.10
275.0320435	0.31
279.8355408	0.29
285.1296387	0.20
294.4104309	0.73
302.1003418	7.13
303.0915222	4.02
317.0578003	100.00
318.1385498	94.33
318.7568359	0.22
343.296936	0.11
446.223999	0.16
464.2470703	0.98
471.6982422	1.74
478.2601929	0.91
480.4711914	0.24
491.4282837	0.67
495.5090942	0.10
538.6517944	0.87
566.1977539	0.18
589.8077393	0.54
608.4191284	0.84
626.1626587	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.06
Annotation	6-O-p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
102.8572540	0.65
112.9616852	4.79
130.9531860	2.00
134.0183105	0.19
142.9262695	0.07
145.0767517	0.58
148.9751587	17.62
160.9722748	0.23
163.0570374	3.13
172.9956207	0.10
177.1539459	0.21
178.1594238	0.31
178.9391785	0.67
183.2367859	0.04
187.1262207	0.40
189.3973541	0.07
191.2716370	0.43
193.0094604	100.00
203.0789185	0.05
204.9983215	4.39
209.1459045	0.04
214.9721069	0.11
217.0106812	1.63
226.9103394	0.06
232.9730530	0.09
235.0468445	57.55
236.8076477	0.07
241.3345337	0.14
258.9941406	0.05
263.1784668	0.10
265.0667725	69.56
277.3846436	0.16
279.1473694	0.34
281.0672607	0.38
282.9716187	0.06
289.1412659	2.23
295.0562134	0.47
297.2295227	0.13
307.2236633	3.02
311.2264099	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	312.13
Annotation	1,7-Dimethylguanosine
Peak:m/z	Relative Intensity
100.1727753	0.07
101.9087296	0.13
104.8668060	3.00
108.9144821	0.03
113.9213562	0.11
114.7522964	0.44
126.8552475	2.14
132.5645447	0.39
133.2795410	0.05
141.2403870	0.09
144.9703979	0.13
146.1069641	0.37
149.9546814	0.76
153.2119446	0.05
154.9981995	0.37
166.0894470	0.21
167.1653137	0.17
169.1871948	0.05
174.1237335	0.88
178.0471802	0.09
179.0784302	0.25
180.0133972	0.08
181.1279449	0.08
183.1926117	0.17
185.9993286	0.07
189.0994415	0.04
192.0154724	0.80
194.9883728	0.14
196.3207092	0.12
199.7752075	0.04
202.1903229	0.10
204.9297485	0.06
207.2175903	0.04
212.7441711	0.28
216.0251465	0.57
221.9955750	0.42
226.8742981	0.06
228.1924133	0.29
228.9335022	0.06
231.0081787	21.28
239.1946106	0.17
245.8574219	0.22
248.3770752	3.39
249.1006775	6.23
251.9659119	0.02
253.1134033	0.15
258.3754578	0.51
259.0236511	4.65
265.9544067	1.92
266.6187744	0.30
267.2207031	0.21
269.5306396	0.20
270.9631958	1.57
276.9452209	100.00
280.1968384	0.08
281.1844482	0.08
282.1671143	0.11
284.2406311	0.06
294.0903931	3.05
294.9624329	0.27
297.1011353	0.09
303.0136719	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
215.0261536	0.05
218.2876892	0.25
220.994812	0.04
229.4368744	0.04
232.9306793	0.09
256.0603027	0.08
257.2750854	0.19
274.1605225	0.79
300.9586182	0.04
302.0631714	4.22
303.1940308	0.14
317.0685425	100.00
317.9092102	0.33
349.2418823	0.05
363.2184448	0.08
365.4838257	0.07
425.0859985	0.03
447.3837891	0.13
456.3795776	0.04
462.8603516	0.09
479.244873	0.06
482.0525513	0.03
499.5164795	0.13
523.5164185	0.09
553.5913696	0.15
566.9692993	0.02
574.5883789	0.06
589.4682617	0.10
606.2130737	0.04
607.6998901	0.21
610.4489136	0.21
616.2545166	0.07
616.8717651	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	491.1195
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
158.9179382	0.06
167.1599731	0.10
179.9771881	0.07
192.2196045	0.05
204.0391541	0.03
205.1653442	0.03
219.2709045	0.12
238.9676208	0.03
241.1454926	0.10
243.2771301	0.02
254.1233215	0.10
255.1215210	0.39
256.4282227	0.10
270.2675171	0.03
272.1877441	0.09
277.0787659	0.03
281.4125061	0.02
285.2323303	0.16
287.0468750	0.06
293.0362854	0.09
299.2933044	0.22
301.2623596	0.03
306.0534973	0.38
307.1647644	1.09
309.4074097	0.03
310.8663330	0.07
312.0424805	0.08
313.1510620	0.24
314.1218872	0.45
327.0701294	0.20
329.0988770	100.00
330.1608276	0.05
331.1944275	0.85
341.2639160	0.16
343.1376953	0.63
349.3271484	0.05
351.0054932	0.02
353.1940308	0.14
362.2998962	0.06
369.2267456	0.14
370.5440369	0.07
371.2674561	0.73
375.2897644	0.03
383.1694336	0.29
401.4061890	0.30
402.1175842	0.06
403.2450867	0.04
413.4841309	0.06
417.1597290	0.02
420.0505066	0.04
431.3290100	0.04
432.1288147	0.06
437.2833557	0.03
444.9490051	0.50
447.3139954	0.30
459.1427612	0.10
461.0737000	0.03
464.0169373	0.05
473.0766907	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1142
Annotation	D-Galactofuranose
Peak:m/z	Relative Intensity
161.0034180	0.09
179.1118774	0.12
193.0164185	0.03
207.1032410	0.01
322.8171387	0.02
341.1348267	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.1584
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
187.0622559	0.02
201.1200256	0.10
202.0478821	0.04
212.829483	0.11
215.9432831	0.07
229.0264893	0.15
230.0710907	0.04
257.1807556	0.10
257.9775391	0.75
259.0231934	0.05
268.2924194	0.13
271.2313843	0.07
281.2054749	0.01
285.119873	0.16
286.1617737	5.13
301.0770264	100.00
301.6896973	0.39
302.2945557	0.11
302.9561157	0.01
319.3347473	0.02
331.2539062	0.01
335.1940918	0.06
343.0838623	0.02
351.4504395	0.05
369.4260864	0.01
370.2894897	0.02
402.8794556	0.02
431.1296997	0.03
445.3533936	0.01
447.3905029	0.06
463.2037354	0.05
491.1488037	0.02
522.2631226	0.01
548.5876465	0.04
553.5490723	0.03
563.1323853	0.04
565.6993408	0.02
566.4172974	0.04
572.6156616	0.03
573.7359009	0.03
591.4281006	0.02
592.4845581	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	439.1063
Annotation	Hallactone B
Peak:m/z	Relative Intensity
134.8279877	0.04
177.9233551	0.04
180.0455017	0.04
180.9483032	0.06
196.8865967	0.04
206.1927490	0.08
211.1012878	0.11
223.1304016	1.18
224.1637268	0.04
235.0609894	0.12
249.4023132	0.14
250.8424072	0.06
253.2512817	0.12
258.4100952	0.03
259.1270142	0.48
260.0554810	0.85
261.1248474	0.22
269.3697510	0.13
273.2211914	0.04
274.0304871	0.20
275.8736572	0.04
279.5276794	0.11
287.2550049	0.17
291.2157288	0.09
295.1277161	0.06
298.3482666	0.13
301.8492432	0.08
303.0336609	0.43
306.0108643	0.03
307.0919495	0.35
309.3959351	0.08
312.1464233	0.03
313.3073425	0.15
314.1589966	0.19
315.1734314	0.20
317.1390381	0.02
319.0040894	0.06
326.2760010	0.46
327.3056641	0.17
329.1725769	1.69
335.4857788	0.19
339.3354492	0.22
341.1987305	4.90
342.2353210	0.24
344.5016785	0.04
345.4884644	0.17
349.1618347	0.10
359.1276855	1.31
360.3730774	0.09
371.4786682	0.07
378.2502747	0.04
389.1624451	0.24
393.1485901	0.52
394.1667786	1.30
395.9263611	0.94
397.2984009	0.18
406.2640686	1.37
407.3205872	0.25
409.1843872	100.00
410.1745300	5.69
421.1768494	24.73
422.1692810	1.92
423.0874634	0.04
424.1190491	1.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	374.81
Annotation	Unknow
Peak:m/z	Relative Intensity
152.0956421	0.19
180.9634705	0.02
192.9255676	0.06
194.0689392	0.06
194.9935760	0.05
196.0558472	1.55
198.1423035	0.09
198.8793945	0.02
200.1770630	0.03
206.8247528	1.29
212.9401245	5.82
213.6340179	0.13
220.3001404	0.02
222.9229431	0.18
237.1675720	0.03
238.2052002	0.02
254.8952026	1.54
255.5053406	0.02
264.9282227	0.05
266.8688354	0.39
284.8523254	1.89
290.7721558	100.00
295.4178162	0.02
297.1254578	0.03
313.3204346	0.08
314.9508057	1.85
322.1455078	0.03
326.9737854	0.02
338.9418030	0.19
340.1748047	0.68
343.0267639	0.02
357.1644287	2.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2497
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
97.09386444	0.04
105.034668	0.16
106.9610214	0.87
108.9758759	3.12
110.846283	0.12
117.0769501	0.09
119.1203156	0.03
120.949234	3.39
123.1051254	1.35
124.0388031	0.13
124.8463211	0.06
128.9469299	0.18
129.9982758	0.08
131.0359802	0.56
132.9859924	0.93
135.0323029	3.69
136.0955048	0.03
137.1558838	0.44
141.0137177	0.12
142.9858704	0.94
144.931488	0.19
147.0141602	2.91
149.0831909	2.49
151.0318451	1.28
153.1836395	0.07
157.000824	1.10
158.9916382	0.82
161.0031433	3.43
163.0188141	1.36
165.1279602	0.63
166.8736572	0.25
169.0865479	1.21
170.9039612	0.58
172.8239441	0.54
175.0090942	1.58
177.1252594	0.72
179.2816925	0.35
181.1696625	0.04
182.9651642	0.67
184.9656982	0.47
187.0864716	0.91
189.0506897	1.39
191.1889191	0.36
195.0790863	0.17
197.1000977	0.53
199.0024109	0.27
200.9620361	0.46
203.0739746	1.58
205.1424866	0.97
207.2510223	0.17
208.0314026	0.03
208.9827576	0.09
210.9818726	0.46
213.065094	0.31
215.1281738	0.42
216.2576904	0.23
217.1759644	1.04
219.0578613	0.04
221.013092	0.04
223.236145	0.40
225.1458435	0.08
226.3613586	0.11
227.1316223	0.55
229.1325378	0.55
231.1798096	1.02
233.4002075	0.04
234.9840393	0.30
237.2835999	0.26
239.1716003	0.40
241.1448669	0.25
243.251709	0.42
245.1956482	1.49
247.2846069	5.82
249.2952881	0.23
250.2944336	0.14
251.2216187	0.28
255.125946	0.20
257.2195129	0.57
259.1447144	1.01
263.0871887	0.05
265.1791077	0.20
267.2217407	0.08
269.5363159	0.11
271.1239014	0.22
271.8898315	0.06
272.8118896	0.09
277.319519	0.49
279.2755127	0.15
281.1989136	0.54
283.1746826	0.59
285.2623901	1.18
287.1907654	0.25
293.7872314	0.18
295.1185913	0.58
296.3713379	0.13
297.4701538	0.22
299.2444458	2.25
301.7064209	0.07
305.298645	2.41
307.1142273	0.04
309.2207336	0.07
312.1263428	0.05
313.312561	0.38
314.1939087	0.27
317.8744812	0.05
323.2451172	100.00
323.8504639	0.36
326.7319946	0.15
327.3588257	0.03
331.9802856	0.82
341.0653687	0.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	182.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
122.6978149	0.07
136.0119476	24.00
147.0652618	0.14
163.1508331	0.02
164.9647064	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	441.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
233.2774048	0.05
249.1221924	0.39
328.0141296	0.11
344.9600830	0.06
356.8604126	0.03
381.2220459	0.08
395.1932068	100.00
395.8466797	0.24
397.0485229	0.06
398.1534729	0.06
423.2355042	0.16
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
206.9084778	0.14
251.0997162	0.11
253.3491516	0.06
284.1806030	0.07
290.8226624	2.33
319.9240112	0.02
366.3811646	0.04
371.2411499	0.08
374.6954956	0.32
380.6113281	0.04
414.1065674	0.13
414.9871216	0.04
418.7572632	0.14
436.9723511	0.12
458.6274414	15.98
460.7405396	0.84
463.4089355	0.28
464.2115479	0.13
490.7691040	0.66
496.7039185	0.12
498.1801758	0.02
506.5569458	0.10
518.3381958	0.16
520.4979858	3.19
540.3451538	0.13
542.5297241	100.00
543.3411255	0.12
546.7301025	0.06
550.2770386	0.08
562.5777588	0.05
566.6260376	0.86
580.4242554	2.59
581.2800903	0.02
591.0802612	0.03
596.9419556	0.02
609.4890747	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1522
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
183.1771698	0.23
191.0106049	0.39
207.2176971	0.23
216.8560486	0.16
227.2126465	0.33
246.1929169	0.20
257.0304565	0.24
274.4338684	0.10
275.1051636	0.22
299.1915894	0.12
301.0748901	0.82
302.1896667	5.00
303.1434937	2.76
317.0675659	89.45
318.1694946	100.00
398.2346802	0.16
399.3314209	0.07
407.723999	0.67
464.3389893	0.15
536.3817749	0.10
590.0871582	0.21
593.9669189	0.12
594.7024536	0.16
607.7107544	0.10
608.4362793	0.65
625.5769043	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	793.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
287.1279907	0.10
291.3547363	0.08
295.1676331	0.06
325.0447693	0.04
335.3937073	0.11
336.1508789	0.06
416.5581055	0.06
419.2601929	0.10
457.6537476	0.08
459.2784424	0.21
460.5770264	0.22
475.2808838	0.05
478.1281738	0.09
490.3505249	0.94
491.3319092	1.26
495.4103394	0.06
496.3610840	0.71
501.1269531	0.08
515.8359985	0.08
516.6650391	0.12
537.2608643	0.45
538.3546753	3.00
539.5241089	0.04
568.4660034	0.06
570.5283813	0.15
581.2443237	1.92
582.3366699	9.86
595.1520386	0.05
613.1561890	1.63
614.2720947	9.60
624.1293335	0.21
638.1383667	0.62
639.3045044	0.78
640.2938232	0.74
651.5001831	0.31
655.4210815	0.03
658.0501099	0.11
671.3047485	3.70
694.3389282	0.13
702.5186157	0.09
718.4168091	0.38
720.5768433	0.07
721.2705688	0.14
727.9772339	0.29
743.9623413	0.13
748.0741577	0.09
748.6988525	0.18
762.2741699	100.00
762.9285278	0.43
767.2789917	0.04
776.4674683	0.11
795.5827026	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	343.1
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
119.0876160	0.59
128.8049011	0.09
132.0915222	0.05
133.0804596	0.03
135.0246277	1.39
147.1789246	0.04
163.0712585	9.72
166.9864807	0.28
178.7265778	0.15
181.0640259	100.00
181.9421997	0.04
195.2795410	0.04
199.2603912	0.05
211.0906677	0.41
217.2188416	0.08
221.9530334	0.08
223.1089172	1.59
225.0137329	0.04
233.1073914	0.03
239.2512512	0.03
250.9234009	0.05
253.1809998	0.23
255.1087952	0.20
261.8540039	0.05
265.1191711	0.19
266.8791809	0.03
281.1380920	0.06
282.1190186	0.07
282.8978271	0.05
284.5317383	0.04
289.1460876	0.10
297.0791626	0.34
299.2396545	0.16
307.2111206	0.26
315.2939453	0.13
316.8728027	0.04
324.9096069	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
217.0759735	0.63
217.9622803	0.08
228.2519531	0.13
257.2767029	0.48
258.26474	0.88
273.2380371	0.51
274.1292114	1.09
275.1338806	1.19
283.9325256	0.23
295.114624	0.33
302.1298828	5.94
303.125824	2.37
317.0643311	97.93
318.1719971	100.00
332.3026123	0.44
348.8393555	0.16
415.0981445	0.10
422.135437	0.15
430.894043	0.28
438.1116333	0.08
464.3093872	0.11
510.4015503	0.13
545.1383667	0.28
569.859436	0.25
590.1275024	0.83
592.0256348	0.45
594.1430054	0.61
606.5795288	1.01
608.1624756	0.65
616.6876831	0.76
630.6262207	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	366.12
Annotation	Unknow
Peak:m/z	Relative Intensity
112.9667282	0.27
116.0176010	1.73
116.9704132	0.19
118.7924347	0.06
127.9823532	0.20
130.1883850	0.14
131.0034485	0.15
140.3281403	0.08
142.0775146	30.65
142.9577332	0.08
144.0147400	0.78
148.4992981	0.14
149.1484070	0.15
155.9918518	0.15
158.1280823	2.92
160.0859833	0.19
160.9297791	0.07
169.9808044	0.37
182.0571289	0.19
186.0250244	100.00
188.0918274	0.86
198.1910095	0.05
200.1997986	1.01
201.0661163	0.12
204.0084686	84.70
211.0988312	0.10
218.0539856	2.38
227.9435120	0.17
237.1606750	1.96
246.1163330	12.50
249.0638733	0.40
257.9102173	0.05
269.9942932	0.09
275.9978333	0.45
306.3903198	0.22
322.3694153	0.34
330.4451904	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	686.2556
Annotation	Antibiotic TAN 547A
Peak:m/z	Relative Intensity
230.4140320	0.12
268.1040649	0.16
282.9657593	0.13
307.1727905	0.13
379.0040894	0.14
399.2636108	0.04
430.2006226	3.56
450.3484497	0.06
474.2119751	5.50
482.5012817	0.10
491.7006226	0.06
506.2171631	3.87
522.3095093	0.07
532.7268066	0.06
543.3482666	0.11
548.1063232	0.10
566.5647583	0.09
567.9835205	0.40
599.9314575	0.10
605.4268188	0.21
607.1784668	0.12
610.3536987	0.97
623.6173096	0.24
626.2133789	0.37
636.2536011	0.57
640.2603149	0.22
651.2770386	0.06
654.2732544	100.00
655.0022583	0.07
656.1327515	0.25
668.2210083	0.38
672.4223633	0.19
699.8487549	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
101.2020264	0.22
133.3882751	0.67
141.0664673	0.53
155.1754913	1.15
157.2553864	0.49
171.3897095	0.85
173.1307983	1.12
177.0640411	0.27
183.1571198	0.40
185.2045135	0.28
187.1574249	1.44
192.8512573	0.19
199.2176666	0.61
201.1197815	2.31
203.092392	1.18
211.4825287	0.36
213.1513062	0.86
215.0190125	1.82
227.1976929	2.14
229.1239929	4.76
231.1161194	0.42
241.1144409	0.22
243.133728	0.64
245.082428	0.60
255.2089539	1.95
257.200531	4.98
259.5273132	0.33
263.3547058	1.94
269.3479614	2.21
271.2828369	3.41
273.3980713	2.19
283.3082581	2.80
285.2664795	7.98
287.2073975	1.33
293.2398682	0.20
297.3660278	4.05
299.1775818	3.08
301.3789062	1.35
311.2123413	0.89
313.035553	0.67
313.9677124	1.57
315.2683105	2.54
321.6009827	1.37
323.3889771	5.99
325.383728	1.42
329.1511841	0.68
339.2395325	100.00
341.3457336	12.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
215.1149902	0.08
216.8831177	0.04
218.1289978	0.10
229.1688538	0.06
245.079071	0.31
246.161377	0.20
255.9985046	0.13
258.1625061	0.08
271.6135559	0.08
274.0578308	0.57
278.1852722	0.18
285.9313354	0.08
292.7837524	0.06
295.1405029	0.05
300.943512	0.04
302.0780945	3.44
309.0554199	0.10
313.1790771	0.10
317.0674133	100.00
317.7484741	0.20
371.3444214	0.13
411.4082642	0.11
421.4511719	0.15
443.0501709	0.15
452.4049683	0.14
453.4789429	0.05
463.2498169	0.67
470.7081299	0.10
475.1854858	0.15
509.0379028	0.09
511.3146973	0.09
522.5628052	0.06
527.0492554	0.12
530.3031616	0.15
547.6351929	0.08
550.479126	0.09
551.5130005	0.13
564.7421875	0.23
607.3265991	0.98
608.2074585	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	449.1083
Annotation	Maesopsin 6-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
148.9020386	0.28
150.9846802	0.33
162.83255	0.96
179.0042419	0.35
180.0232239	0.29
181.0813904	0.09
190.9935608	0.30
199.1768799	0.15
201.352478	0.20
207.0570984	0.09
209.0061798	0.11
214.9006653	0.07
219.1767578	0.06
243.1834106	2.81
259.1525574	39.61
264.9929199	0.12
269.1664429	34.49
271.9399109	0.09
278.7513733	0.10
283.1455994	0.50
287.0548096	100.00
287.7033691	0.14
293.1975098	0.26
297.4064941	0.06
311.0637512	1.81
315.225708	0.16
329.1680908	0.12
342.1124268	0.85
343.8666077	0.09
353.1789856	0.30
361.2880859	0.40
367.1530457	0.10
369.1874695	0.32
376.1412659	0.09
383.013092	0.09
389.2151489	0.59
394.2285461	0.04
398.9466248	0.10
401.0068054	0.37
403.1128235	0.72
405.1913757	0.28
413.3866882	0.04
421.2170715	1.60
431.227478	4.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	501.9534
Annotation	Unknow
Peak:m/z	Relative Intensity
148.9804535	0.08
156.9942322	0.04
191.0157166	0.03
218.9602966	0.01
221.1471405	0.04
228.0239563	0.21
228.9585571	0.14
245.9713898	0.09
246.9123535	0.08
259.0576172	0.01
261.0869751	0.03
263.1227722	0.03
277.0841064	1.07
278.9623108	0.14
290.9673157	0.07
307.9828186	0.03
309.0034180	0.19
311.0429077	0.01
316.9517822	0.09
334.9899902	0.14
350.9915771	0.18
352.9771118	100.00
353.5904236	0.14
354.9148254	1.22
360.9209595	0.03
365.0386658	0.01
394.1197205	0.01
397.0447693	0.01
404.7985840	0.35
405.6590271	0.03
428.8263855	0.17
442.5482178	0.02
484.8211975	0.01
485.4649048	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.153
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
200.260437	0.16
217.2030945	0.12
228.1078339	0.21
229.3236389	0.19
238.2106018	0.41
257.1018677	0.09
269.3133545	0.10
273.4772339	0.10
274.1402893	0.31
281.2197266	0.10
289.2805176	0.18
299.1710205	0.19
301.0901489	0.20
301.9548645	3.77
317.0624695	100.00
317.6763306	0.23
318.3444824	0.05
341.2698364	0.24
375.1973267	0.05
381.322998	0.05
388.8150024	0.11
409.3424683	0.05
441.6872559	0.29
445.2416382	0.25
463.3778687	0.12
496.9633179	0.07
525.2695923	0.18
537.4920654	0.13
544.2505493	0.13
562.97229	0.03
578.4746704	0.07
607.2625732	0.85
612.104187	0.04
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
159.0133667	2.87
160.0151825	0.75
160.9760132	0.65
173.0145416	0.15
199.0440369	0.22
200.9387817	0.39
229.0534363	0.26
229.8908691	0.10
230.9323425	0.44
272.9773865	29.91
274.0246887	8.73
275.0247192	31.21
386.9828796	28.38
388.0399780	14.33
388.9890442	100.00
418.1928711	0.10
428.9172058	0.46
446.9566956	0.09
457.0732117	0.83
459.1228333	0.04
459.9962158	0.06
475.0667114	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	478.2914
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
161.1858826	0.01
165.2377625	0.02
179.9781799	0.04
194.6359863	0.01
198.2781677	0.10
215.9511719	0.13
245.3959351	0.02
263.3047180	0.27
268.0973816	0.06
306.3052673	0.29
307.1323547	0.01
309.5924988	0.02
319.5012817	0.02
320.7457581	0.06
337.3128052	100.00
337.9227295	0.25
349.3243713	0.03
371.3300781	0.03
380.3816223	0.18
388.2797546	0.08
416.9765320	0.09
429.2065430	0.06
433.6141357	0.05
435.1797180	0.05
460.2811890	4.31
461.1942749	0.10
462.7902527	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	419.1376
Annotation	E-3179
Peak:m/z	Relative Intensity
121.0531006	0.09
131.0198212	0.05
132.1899261	0.36
143.0719604	0.08
166.0610809	0.08
175.1048584	0.06
183.1016846	0.06
186.8441010	0.12
213.9357910	0.11
219.0725555	1.06
219.9047546	0.60
225.1378479	0.11
226.3158264	0.06
228.0120697	0.05
240.1456909	0.12
253.0484314	100.00
254.0446777	80.51
263.9053040	0.34
271.3363647	0.23
314.3079224	0.04
324.2518921	0.19
332.2775574	0.11
336.0308533	0.05
347.8169861	0.16
374.1868286	0.17
376.3121338	0.31
391.1816711	0.06
392.0786438	0.06
402.0800476	0.55
403.5172424	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.04
Annotation	Unknow
Peak:m/z	Relative Intensity
84.7927628	0.04
103.0079346	0.10
164.7087402	0.24
168.7501831	0.04
180.1782532	0.08
197.0142212	0.04
200.9440308	0.06
210.7955017	0.14
212.7693176	100.00
225.1750183	0.06
226.0902710	0.10
238.8143616	0.10
243.3706055	0.10
250.9790955	11.27
279.2352295	0.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	318.3
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
91.04385376	0.31
95.03275299	0.88
96.01252747	0.10
96.96707916	0.09
99.28705597	0.07
106.784729	0.45
109.1820221	0.15
110.9737549	0.08
112.8792114	0.43
119.0797729	0.31
119.7127457	0.09
121.046051	0.31
122.3527756	0.07
122.9712372	0.31
124.735321	0.14
127.0572052	0.57
128.9112244	0.15
131.238678	0.38
132.8180695	0.08
134.8754578	0.38
137.0847473	0.57
139.0271912	0.62
140.7696686	0.16
144.9658813	0.07
147.1253052	0.42
148.096405	0.06
151.099762	0.69
152.8487244	0.45
153.7972107	0.09
155.0736084	0.24
156.9691925	0.66
158.8580017	0.20
161.1596985	0.10
162.8679657	0.29
165.0032043	0.30
169.1112976	0.48
171.1670532	0.18
173.3739929	0.16
174.0050659	0.09
174.8954163	0.44
177.0310059	0.17
179.0802917	0.10
180.9972992	0.17
183.91539	0.25
185.0671692	0.19
192.8089447	0.19
193.438324	0.21
194.9137878	0.53
197.4572754	0.29
199.2534637	0.41
200.3849792	0.32
205.0488281	0.48
207.1950989	0.90
209.1430359	1.17
211.1004333	1.01
213.0298767	0.53
221.271698	0.43
225.280426	0.53
226.201355	0.33
227.3511353	0.12
229.3233032	0.34
239.249939	0.47
239.9625549	0.14
243.2739258	0.09
245.1956177	0.45
246.1254883	0.13
247.2027893	2.90
250.9823608	0.60
252.5132446	0.40
255.1173706	0.11
256.3059387	0.28
261.2362976	0.49
262.1824036	0.33
264.303833	3.05
265.2662354	4.05
267.5241699	0.14
269.1267395	1.90
270.415863	1.68
273.2741394	0.17
274.2199097	0.22
275.1217651	0.21
277.1725769	0.51
281.0267334	0.14
282.2838745	44.35
282.991394	2.42
287.1579895	0.93
289.2228394	0.32
290.0744019	0.12
297.4437256	0.53
298.0572205	0.34
300.2858276	100.00
301.171875	3.50
302.9623413	0.10
304.5501709	0.56
307.1065674	0.25
309.3360596	0.14
326.1912842	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1522
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
216.8489685	0.27
218.1221466	0.51
219.2349243	0.20
228.9887085	0.13
252.1455078	0.29
256.4397278	0.61
257.1464233	0.35
258.2086792	0.13
275.0734863	0.84
302.0682983	1.37
303.1777954	3.11
317.05896	93.85
318.1057129	100.00
351.1726074	0.27
445.1170044	0.07
446.1405029	0.13
464.1166382	0.51
468.1859741	0.13
470.5576782	0.24
471.7175903	0.22
474.0635986	0.17
479.2044067	0.21
523.2897949	0.09
544.7337036	0.39
554.1217651	0.21
608.3781128	0.82
609.3783569	0.33
627.1184082	0.11
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
92.94831848	0.32
127.9184723	0.03
145.055542	0.18
149.0456848	0.09
163.0413055	0.03
169.0846252	0.17
173.1987305	0.12
176.8313751	0.14
195.1280212	0.08
201.0795898	0.04
209.3440247	0.16
211.2674255	0.06
217.0548096	0.05
226.9842224	0.05
227.5872192	0.05
228.869873	0.06
232.9324341	0.15
241.1568909	0.10
243.6434326	0.27
245.1301575	0.25
247.133728	0.03
253.2525635	0.39
255.2228088	0.04
259.2203369	0.19
262.6759644	0.04
271.1665649	100.00
272.2301025	0.08
273.2200317	2.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0197
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
66.9953766	0.02
84.9904556	0.21
86.9945068	0.84
100.9717712	0.05
110.8807831	100.00
111.6913452	0.03
128.9739838	2.86
130.8492584	0.95
144.7910461	0.04
146.6498260	0.05
154.9032898	0.28
172.9123993	19.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	315.12
Annotation	(2S,4S)-gamma-Hydroxyglutamic acid
Peak:m/z	Relative Intensity
104.9225311	0.08
106.0188065	0.06
110.8858185	0.03
122.9405670	1.11
127.1780853	0.03
133.8979187	0.03
135.0460510	0.03
135.8939514	0.12
136.9362488	0.15
145.1964417	0.13
151.9170837	0.09
153.0642395	0.78
158.2197571	0.05
159.1843567	0.13
160.9903717	0.07
163.1002808	0.04
165.0473175	0.21
173.3424683	0.13
175.3058167	0.05
183.2409363	0.05
185.0724182	0.07
187.3739624	0.12
198.2244263	0.08
207.2126465	0.07
209.6718445	0.08
212.9626160	0.24
219.4734802	0.24
224.3240051	0.11
225.2219238	0.56
227.0071716	0.07
228.0576172	0.05
231.1188049	0.14
234.6503906	0.20
237.1049500	0.03
239.3160706	0.04
241.2647400	0.11
244.1285400	0.04
244.9414978	0.06
253.1212463	1.50
254.5036621	0.76
255.1509399	8.05
256.1464233	2.13
257.0323792	0.03
259.3239136	0.38
261.9063721	0.07
265.0797729	0.03
266.8522339	0.34
268.9367371	0.21
270.9054871	0.28
272.1453857	0.13
273.2331543	0.63
274.1021729	0.25
276.8897705	0.19
279.2660217	0.31
280.1047974	0.66
284.2047424	0.04
284.9815674	0.22
297.1108398	100.00
298.1197815	39.18
299.1336975	0.06
305.9981384	0.06
315.0392456	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	795.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
287.4600220	0.07
297.2504883	0.05
303.0787659	0.07
337.8330078	0.13
339.3120117	0.19
346.3313599	0.12
366.9909668	0.13
368.2357788	0.05
369.8064575	0.06
371.0820923	0.17
399.2279053	0.05
449.3314209	0.14
450.3687134	0.14
459.2316895	0.05
460.4193726	0.08
461.2620850	0.33
475.1830444	0.02
477.5049438	0.10
479.0020752	0.69
479.6237183	0.07
493.0536499	0.17
510.4875488	0.16
511.4272461	0.22
557.8993530	0.10
565.3292847	0.06
600.1408691	0.07
601.2835083	1.65
602.4234009	3.11
623.4371338	0.11
633.4297485	0.05
634.2683105	0.67
640.2376099	0.60
641.3582153	2.51
642.5122681	0.19
662.2536621	0.11
672.6876221	2.27
673.3464966	3.38
674.0958862	0.04
724.5399780	0.08
728.3392944	0.24
742.3065186	1.23
746.4821167	0.26
759.5737915	0.06
764.3065796	100.00
765.0077515	0.24
777.8653564	0.04
795.0297241	0.08
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
90.76647949	0.77
92.98820496	0.69
93.99269867	0.28
95.04282379	1.57
96.98246002	0.74
97.83345032	0.22
103.10466	0.05
104.0769501	0.11
105.0594864	0.28
106.9879532	0.12
109.0101624	3.13
110.9243393	0.96
111.7292786	0.09
112.9018097	0.04
119.0415421	1.75
121.0138168	1.57
123.0978241	2.04
124.913208	0.78
125.9150848	0.15
127.2614136	0.07
129.2246399	0.16
133.129425	0.52
135.0804749	1.34
137.1421967	2.03
138.8092957	0.28
140.1340637	0.20
141.1990662	0.19
147.0159302	1.16
149.0870667	0.63
151.0998993	1.14
152.9372559	0.17
154.9089813	0.31
156.1857758	0.54
157.1267242	0.17
159.6098785	0.07
161.1206665	0.84
163.0352631	0.71
164.9812927	0.50
165.9501953	0.09
166.7333832	0.08
168.9205933	0.05
170.0475006	0.11
171.0186462	0.04
175.0527649	0.75
177.1342316	0.35
179.1937866	0.26
181.1623383	0.34
181.8097076	0.09
183.2337494	0.14
187.0919189	0.13
189.1248932	0.56
190.998291	0.52
193.2688904	0.08
195.5359802	0.05
198.2358398	0.06
200.0778809	0.05
203.1541138	0.22
205.066864	0.03
207.1651917	0.15
210.5472412	0.07
211.2464294	0.09
217.344696	0.17
219.1790466	1.28
219.963562	0.14
221.1470337	2.18
222.1373901	0.07
224.1872253	0.25
225.1400452	0.71
226.0271912	0.25
226.8326721	0.19
229.5158081	0.17
233.1367188	2.22
235.9786987	0.36
237.2298889	0.96
239.3229065	2.46
240.4576111	0.17
242.1785278	1.20
245.3009644	2.30
246.2893677	0.08
249.2255554	0.48
250.3309937	1.98
251.1906738	1.76
252.3125	0.09
253.0796509	0.20
254.1956177	0.84
256.1832581	0.20
262.2496948	4.57
263.2987366	3.19
267.1136475	1.08
268.3068237	1.74
268.9640198	0.20
270.2556763	0.18
270.9401855	0.04
272.0250854	0.11
274.2029724	0.18
274.9933777	0.64
280.2584839	82.09
281.1278687	0.61
281.7731323	0.02
284.9069824	0.19
295.1707153	0.06
298.2705688	100.00
299.1375427	1.93
302.1943359	1.09
306.645874	0.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	206.0807
Annotation	Swietenidin B
Peak:m/z	Relative Intensity
114.1627197	0.03
118.0420532	3.20
129.9679565	3.57
130.8443756	0.04
132.1162720	0.16
143.9181061	0.39
145.9811859	2.39
159.9959259	66.96
170.0571594	2.88
187.9881287	100.00
189.3044739	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1733
Annotation	Rhamnocitrin 3-glucosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
217.0668488	0.03
240.8249969	0.02
249.4071198	0.01
258.1713867	0.09
259.2042236	0.02
286.2059021	0.99
294.0428162	0.03
299.7084961	0.02
301.0649414	71.50
301.6841431	0.20
319.3161621	0.06
343.2179565	0.03
412.4024048	0.04
445.3032837	0.14
453.25177	0.05
463.114563	100.00
463.7593994	0.25
475.6124878	0.07
486.980957	0.03
496.3139648	0.04
548.1417236	0.02
559.225647	0.06
577.2149048	0.01
580.4682007	0.05
582.2736206	0.05
588.8950806	0.05
594.0125732	0.07
606.2929077	0.02
607.2919312	0.08
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
93.01028442	0.19
94.97849274	0.57
97.00115967	1.16
99.23131561	0.07
100.912468	0.42
101.99086	0.05
102.9511261	0.36
104.9447861	0.33
107.0221405	0.57
109.0262604	1.04
110.9140015	0.96
112.8737793	0.46
115.0731659	0.04
121.1933746	0.59
122.9350967	2.77
124.9964447	0.67
126.9537811	0.08
128.9033661	0.14
131.0802917	0.20
133.0606842	0.51
135.0863953	0.74
137.0024109	0.11
139.0166626	9.50
141.088501	0.81
145.0301819	0.12
147.1187744	0.64
149.0640564	0.57
149.9354248	0.16
151.0362244	0.38
153.0397034	1.94
155.1556396	0.45
157.208374	0.85
159.2102356	0.11
161.0481873	0.15
163.1570282	0.04
164.8616486	0.09
167.2107849	0.37
168.8973083	0.43
171.0901184	0.24
173.1802979	0.34
175.076004	0.17
177.0208282	0.40
179.284256	0.34
180.962326	0.86
183.0667419	0.86
184.9607697	0.53
187.1314087	0.28
189.247467	0.32
191.0298615	0.35
192.8767853	0.18
193.4885101	0.09
195.061203	0.66
197.0136566	3.55
198.0701752	0.18
199.0585632	0.57
203.1914978	1.01
205.1065369	0.24
206.3699341	0.07
207.4546204	0.52
209.1922302	1.20
211.103363	1.02
213.1687012	0.73
215.2694702	0.16
219.0751953	1.39
221.151062	2.12
223.1368713	0.86
225.0539856	0.80
225.9720154	0.09
227.2087402	1.16
233.1986389	0.43
235.272522	0.59
237.3373108	2.16
239.1617126	8.13
241.2429199	0.12
243.1807556	0.85
249.2698975	0.10
251.0391235	1.13
251.8147583	0.15
253.2998352	0.79
254.1598511	0.04
255.2950439	0.84
256.1939697	0.09
257.1539307	0.23
261.2572327	2.62
262.0113831	0.19
263.1540833	0.18
265.5514221	0.09
266.1528625	0.10
267.2233887	0.22
268.0487671	0.08
269.223175	0.25
279.2380371	100.00
280.4809265	0.30
281.3470154	0.17
288.2603149	0.48
297.111908	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1089
Annotation	Galactinol
Peak:m/z	Relative Intensity
101.07267	6.69
106.678299	0.76
112.9913483	17.06
114.8332062	1.47
119.0192337	15.32
125.1158371	0.86
131.0852356	4.63
143.0087891	16.41
144.009903	0.38
148.8121948	3.89
159.0539856	0.50
161.0476685	23.50
165.8166351	1.00
167.8868408	0.61
177.7499695	0.76
179.059906	100.00
180.9870148	2.01
204.0605164	0.61
206.0141907	0.35
219.3131409	1.25
221.0560913	1.17
223.0727844	4.53
240.8933105	1.82
242.084137	3.31
243.1477966	2.41
249.2327881	0.53
250.9691772	1.88
253.0527649	0.43
262.7700195	1.08
277.105011	2.03
279.2376709	1.99
281.0253296	16.75
293.1330566	0.38
295.1329956	13.41
296.9833984	0.38
299.1560974	1.89
300.0284119	1.32
311.0036926	13.03
312.181488	0.41
313.0884705	1.73
322.4424133	0.82
323.1738281	2.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	445.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
129.8621674	0.19
131.0227966	0.16
148.9910583	21.17
151.0605469	0.13
153.3141632	0.28
164.8443604	0.23
169.7628937	0.09
171.1446838	0.24
179.4645386	0.28
188.0332336	0.82
194.9670563	16.30
195.6147614	0.18
205.0137787	0.40
209.1604614	0.24
216.3438416	0.10
217.1518402	0.08
226.3339539	0.07
231.0761566	0.12
233.1037292	0.07
233.9654541	0.41
237.4748535	0.23
241.1100159	0.18
249.8586121	0.24
251.1128235	17.91
261.2850342	0.17
266.9380188	0.43
269.1215210	0.25
270.2418213	0.38
276.2715759	0.08
278.4970093	0.11
281.1390991	0.11
287.0384827	0.07
297.5511475	0.41
298.4862976	1.26
306.3847961	0.46
311.2432251	0.23
313.0737915	0.47
314.9115601	0.10
316.1187744	100.00
317.0403442	0.19
320.7108154	0.28
323.3187561	0.13
324.2289429	0.54
327.3038025	0.24
329.4699097	0.10
337.2267761	0.31
339.2014465	0.16
356.9782410	0.93
360.2622375	0.09
371.6719055	1.38
372.4682007	0.16
389.1366272	0.25
389.9739685	0.30
395.5970459	0.15
399.2594910	0.16
401.1343079	0.29
406.8711243	0.10
409.1223450	0.22
411.4911804	0.37
414.1891479	0.31
415.9046326	0.27
417.2781067	0.07
424.6167908	0.81
427.2786865	4.85
428.1767273	0.17
445.3361206	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0712
Annotation	Deoxyinosine
Peak:m/z	Relative Intensity
97.15071106	0.28
104.7239685	0.53
112.8431702	0.32
116.6298218	0.20
121.146698	0.22
123.1843414	0.45
124.9376373	0.94
127.1174164	0.43
130.830246	0.42
151.2364349	0.18
160.991745	0.57
163.1117554	0.39
173.0942078	0.46
176.8925018	0.54
179.0655975	2.10
181.1631012	0.67
183.0536652	0.45
187.1552429	0.86
189.1453705	0.29
191.1532745	2.21
194.9487762	0.20
197.1618347	0.99
203.858078	0.60
204.9661102	1.99
206.1121521	0.27
207.2501984	4.12
208.1616669	3.55
209.183197	1.19
215.1906281	1.20
218.2829895	0.86
221.218689	1.28
222.0532074	1.39
223.1249847	5.37
224.0867157	0.98
233.2029419	3.41
235.75383	0.56
251.0823364	100.00
252.1958618	13.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	451.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
142.7455750	0.13
161.0408478	0.04
167.2743683	0.10
179.0251160	0.72
205.1390228	0.49
249.1106262	3.35
254.1187439	0.10
270.8003540	0.21
283.0640869	100.00
285.2343140	0.20
289.1622925	0.78
291.2327881	0.23
293.0718689	0.05
301.3663025	0.09
311.1470337	0.09
322.6392212	0.31
345.5509949	0.09
351.3506470	0.08
353.1720886	0.16
355.0390625	0.16
371.2029114	0.38
387.2023621	0.23
391.0216370	0.23
393.1312561	0.09
405.1028748	0.63
407.2263489	1.20
409.2064819	0.39
412.8531799	0.19
415.0714722	0.24
421.2015076	0.28
432.9754944	0.66
434.0068970	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.1227
Annotation	Tyrosyl-Glutamate
Peak:m/z	Relative Intensity
91.1259918	0.09
107.1775436	0.03
109.1110611	0.13
111.0374069	0.12
112.0826035	0.03
112.9695129	0.06
118.9515839	0.58
122.9187012	0.39
130.0259094	0.20
130.7894592	0.12
132.0436859	0.04
135.9345093	7.92
146.9930420	1.47
147.9702759	0.09
149.0710144	0.08
151.9599609	0.04
153.0765076	0.04
156.3854218	0.05
160.0298462	0.04
161.0706024	0.07
164.9794464	20.98
167.0742798	0.02
171.3407745	0.09
175.0115356	0.11
181.9746399	100.00
185.3117065	0.14
190.1632690	0.15
193.0109558	0.14
195.0314331	0.26
198.5462036	0.14
199.2893066	0.08
202.0635986	0.16
205.0297546	0.36
206.0214233	0.03
209.3277893	0.04
221.0895691	0.11
222.0068054	0.13
223.4058228	0.09
225.4996643	0.09
236.3076172	0.17
237.1451721	0.09
239.4073792	0.27
244.7642822	0.04
248.0866089	1.01
249.2652283	0.05
250.8714600	0.25
251.9935913	0.21
257.1598511	0.16
265.0460205	0.51
268.8354797	0.11
269.9844971	1.12
275.3816833	0.16
276.1830139	0.47
277.1699829	0.11
281.3128357	0.21
283.0795288	0.82
285.0903931	0.09
287.4041138	0.12
288.0253296	0.15
293.1894226	5.77
294.0983276	7.41
301.6471863	0.15
302.3370361	0.34
304.7711792	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	472.1756
Annotation	OA-6129 B1
Peak:m/z	Relative Intensity
138.9111786	0.08
143.0650177	0.48
145.1217041	0.04
148.0295258	0.04
159.9570770	0.16
167.0559235	0.11
169.0450745	0.04
170.1904144	0.08
177.0198517	0.94
179.0564880	1.21
183.1610413	0.07
185.0364075	0.24
197.1611938	0.03
210.1786194	1.50
213.0597229	0.15
228.4298553	0.11
231.0522156	0.16
236.0489044	0.03
242.2814331	0.26
244.0559998	0.06
251.0473633	0.04
254.1012878	7.17
272.1178284	8.99
288.1044006	6.78
306.0928345	100.00
307.2604675	0.10
313.4129028	0.03
336.3239136	0.07
343.1549072	0.49
363.2630005	0.05
365.8852539	0.03
378.4654236	0.05
410.0667419	0.06
420.1832581	0.06
425.5629883	0.05
426.8336182	0.06
428.4672852	0.17
453.7868652	0.32
454.3908081	1.34
455.5004578	0.22
456.8895569	0.04
458.1896057	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	659.26
Annotation	Gluten exorphin B5
Peak:m/z	Relative Intensity
198.0361023	0.05
213.0179138	0.52
215.0786896	0.10
216.9784698	0.04
235.0709534	0.10
250.9578400	0.39
309.8183594	0.03
310.9569702	4.00
334.5782471	0.04
335.6143799	0.03
336.2537842	0.06
349.0079346	0.62
403.1077271	0.04
406.2225952	0.08
420.7022095	0.09
425.1454468	0.04
447.1961670	0.48
463.4263306	0.09
474.7194824	0.04
484.9130249	100.00
485.6814575	0.09
490.8609009	0.03
494.2714233	0.22
496.2024536	0.08
522.6974487	0.71
529.1445923	0.04
545.6880493	0.07
571.4698486	0.75
572.3325806	0.06
573.6234131	0.07
574.7228394	0.24
579.8507690	0.02
581.0947876	2.29
582.1612549	0.07
600.1388550	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1527
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
191.1936951	0.03
217.0840759	0.04
218.3079071	0.04
228.0733795	0.09
233.0964966	0.04
256.2035522	0.03
257.0081177	0.27
271.0932312	0.03
273.052124	0.06
274.2220459	0.31
276.7223206	0.04
285.1298828	0.14
302.0026855	4.11
302.6062927	0.11
309.5190125	0.04
311.003418	0.13
317.0567322	100.00
317.6707764	0.19
318.4309692	0.05
335.1431885	0.03
347.2166138	0.04
365.7662964	0.03
387.237854	0.04
401.9761963	0.02
411.3883057	0.02
446.7314453	0.02
459.0662842	0.05
463.0802612	0.11
479.0180054	0.13
483.7889404	0.08
490.9642334	0.08
564.8126831	0.04
567.4959106	0.07
569.4956665	0.03
579.0706787	0.03
579.7341919	0.02
589.4616699	0.07
607.1043091	0.09
623.3036499	0.10
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
84.79348755	0.05
86.91345978	0.06
92.80212402	0.26
94.94514465	1.70
95.97206116	0.05
97.07368469	0.83
98.95420837	0.57
103.0493927	0.29
106.9975128	0.18
109.0215759	3.20
110.8145142	0.17
112.844429	1.53
115.0233383	0.10
119.0054321	0.12
121.0143585	1.75
122.9509735	1.74
125.0265961	0.78
127.0099792	1.12
128.5528412	0.22
129.2352448	0.04
130.9003143	0.14
132.9976501	1.05
135.0451965	1.04
136.8999939	1.40
139.0151672	3.01
141.0517578	0.63
141.8316193	0.09
143.0376892	0.27
144.9774475	0.16
146.9692383	0.63
149.0798035	1.08
151.0628967	0.48
152.292511	0.27
153.0798645	2.29
155.0135498	0.88
156.1441193	0.44
157.1588135	0.32
161.1335754	0.85
162.9624939	0.12
164.9499359	1.15
165.5727539	0.14
167.1981201	0.30
169.1582642	1.03
170.0883484	0.11
171.1145325	2.51
175.297699	0.60
177.1113586	0.24
179.0089722	1.38
181.0774231	0.83
183.1140442	3.41
185.1074524	1.18
187.0179596	0.89
189.1817322	1.21
191.0680847	0.23
193.2213593	0.61
195.2433472	0.47
196.9630432	3.28
197.9775543	0.07
199.096283	0.73
203.0667419	2.08
203.6672363	0.22
205.2101135	0.11
207.1841125	0.50
208.4640808	0.79
209.1413879	1.24
210.9711914	2.40
213.0569153	1.05
215.0542603	0.14
217.2124023	0.13
219.1420288	1.52
221.2588196	4.84
223.1434021	0.64
225.157135	3.10
227.0446167	1.86
229.0361938	0.07
233.1675415	2.39
235.2364197	0.35
236.6206665	0.27
237.2403259	5.41
239.1040039	23.37
239.7633362	0.20
241.2176819	0.63
243.1829834	2.41
250.0018311	0.60
251.2493896	3.41
253.1599121	0.86
255.1999512	2.85
255.9064941	0.08
257.0491333	2.94
260.4522095	0.49
261.204071	3.29
269.3852234	0.13
273.7573547	0.35
279.2271118	100.00
280.2214355	1.36
281.1898193	0.42
288.3811646	0.08
297.2038879	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	368.13
Annotation	Unknow
Peak:m/z	Relative Intensity
116.9887924	0.75
118.0557098	0.89
129.9146576	2.32
130.9902802	1.56
131.7954102	0.03
133.8647766	0.06
141.0553284	0.24
141.8905487	0.11
145.5623779	0.10
159.0296631	0.04
160.1025085	2.35
169.0616760	0.06
170.0817871	0.17
176.9857483	0.18
183.9508362	0.18
187.0177612	9.87
188.0582428	14.47
201.9613342	0.24
204.0610352	0.49
205.9892426	87.64
207.1667633	0.05
212.0417786	0.02
216.0302734	0.10
218.2263184	0.22
229.3853455	0.04
230.1323242	1.25
234.0230713	0.16
242.2017822	0.06
244.1171265	0.10
246.2579346	0.04
248.1493225	83.83
256.2243042	0.07
258.3085632	0.07
260.2923889	0.22
265.9792480	0.13
267.1458130	0.04
268.1959839	0.12
272.0826416	3.72
284.2347107	0.57
286.2146912	0.07
288.1348267	0.36
290.0460205	2.78
291.2942200	0.05
296.1429443	0.22
297.2162476	0.03
302.0573730	2.36
307.2263489	0.09
314.2251892	6.21
321.2034912	0.03
323.6788940	0.04
327.3405762	0.17
332.1738586	26.78
340.2027283	0.15
350.1488342	100.00
350.8175964	0.50
570.1561279	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	561.06
Annotation	3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide
Peak:m/z	Relative Intensity
175.1480713	0.37
195.0699463	0.07
196.1899719	0.72
212.9425659	12.24
296.9750366	0.05
370.0354614	0.04
386.8952026	100.00
387.6743164	0.45
405.1112061	0.16
413.2224121	0.02
473.9527588	0.26
475.6426392	0.04
476.4601440	0.38
543.8610229	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	328.14
Annotation	N-(1-Deoxy-1-fructosyl)phenylalanine
Peak:m/z	Relative Intensity
100.9807281	0.01
120.1049957	0.12
132.9358521	0.04
134.9818268	0.02
152.0578003	0.05
154.0826111	0.04
162.9541321	0.03
166.0482788	0.56
171.2898560	0.02
175.9097900	0.10
178.1206512	0.09
182.9537048	0.01
207.7402496	0.02
210.8499756	0.07
212.9216614	0.05
215.1775513	0.02
226.2385864	0.03
227.8560486	0.02
229.1398621	0.04
232.9959412	0.05
233.9046021	0.10
238.0212708	0.05
246.1022644	0.05
246.7900085	0.07
249.9315796	0.06
251.0953979	0.01
252.1216125	0.07
255.9660034	0.05
263.9112549	0.01
265.1753540	0.05
266.5673828	0.04
270.3399048	0.02
275.0629578	0.04
276.9687500	0.01
282.1380005	0.40
284.1002808	0.04
286.8839722	0.15
292.2149658	0.43
293.2656250	0.02
296.2043457	0.09
297.2793579	0.13
300.1609802	0.08
305.7985840	0.04
307.9730530	0.09
310.1514893	100.00
311.1718445	0.04
312.0089111	0.02
327.8579102	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1089
Annotation	D-Galactofuranose
Peak:m/z	Relative Intensity
88.7001572	0.13
98.8485565	0.37
100.9162598	7.93
113.0083542	22.85
115.0981750	0.57
118.9751587	13.87
125.0419312	1.28
130.9893188	5.35
132.8539124	1.05
143.0391541	18.05
148.9598389	3.80
160.9404602	20.09
176.8092499	0.14
178.9806519	100.00
179.9837341	0.17
198.8547058	0.15
209.1430359	0.10
220.7054138	0.74
236.9759521	0.13
279.1788635	0.13
280.9523010	1.82
323.0198059	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	397.1173
Annotation	Caulerpin
Peak:m/z	Relative Intensity
112.8434067	0.03
118.8955688	0.11
131.2149811	0.02
143.0759125	0.03
159.0140381	0.07
161.1045837	0.68
171.1761780	0.06
179.1663513	0.28
204.6006012	0.13
205.2172089	0.09
217.0807190	0.12
249.1022949	10.47
265.0859070	0.10
283.0923767	100.00
323.2108459	0.04
351.1223450	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.1426
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
275.4344788	0.22
287.0587769	100.00
287.8418579	0.07
293.1212158	0.12
297.0388184	0.31
303.105957	0.17
305.4326782	0.25
309.3561401	0.10
319.3994446	0.09
324.9725342	0.41
339.4899292	0.32
416.0420532	0.16
442.4644775	0.39
453.3990479	0.44
455.5646362	0.87
464.9684448	0.13
506.374939	0.28
519.8858032	0.17
523.0408936	0.14
524.2958374	0.55
537.5467529	0.22
549.3956299	0.36
550.6327515	0.50
558.8740234	0.30
563.4439087	0.10
576.6720581	0.48
577.5113525	0.63
595.380188	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	548.77
Annotation	Unknow
Peak:m/z	Relative Intensity
212.7944794	2.22
296.7253723	23.98
297.3421936	0.08
303.1183472	0.25
348.7540894	0.14
380.5964966	79.34
381.3415527	0.09
383.3039551	0.17
386.8584595	0.63
428.7271118	0.38
464.4597168	100.00
465.3441772	0.11
485.0290527	0.19
488.7521362	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1524
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
218.1541138	0.27
246.1626587	0.19
274.1326904	0.43
302.1213989	3.07
303.2672119	2.75
308.2494507	0.39
317.0674744	98.81
318.1337891	100.00
352.1608887	0.14
404.6380615	0.46
412.7547607	0.15
421.423584	0.10
445.388916	0.15
464.3585815	0.81
515.7674561	0.12
517.1013794	0.14
579.347168	0.41
588.2614136	0.13
590.2958984	0.88
607.7961426	0.68
608.4382935	0.12
609.1987915	0.30
610.8774414	0.32
627.5224609	0.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
139.0530701	0.02
149.9742126	0.03
162.1067505	0.05
187.9010315	0.14
194.2353821	0.02
200.0020752	0.28
201.9853363	0.03
213.3497314	0.02
215.9063721	0.17
217.8242798	0.49
219.8303223	0.06
227.8524170	0.10
230.0044556	1.06
235.4242859	0.02
239.8718872	0.05
241.9949951	0.05
247.1619263	0.05
253.8393860	0.39
256.0102234	0.12
257.8796387	0.96
259.6684265	0.06
261.0385132	0.02
261.9970398	0.06
265.5894165	0.03
267.2385864	0.06
275.9917603	0.13
277.1137390	0.17
279.0943604	0.12
280.1656799	0.10
281.2789307	0.09
284.0297852	0.21
297.0992432	0.53
298.0601196	0.06
301.9058838	0.33
304.2390747	0.04
305.2696533	0.10
305.9611206	1.54
309.5574951	0.18
310.2870178	0.04
315.8974304	0.04
316.8924561	0.08
317.7392883	0.11
319.9659119	0.06
327.9418030	0.01
329.9779053	0.06
334.6645203	0.03
335.9834900	10.68
337.2626953	0.17
343.9969482	0.06
346.0169678	0.04
351.0521545	0.04
363.8492126	0.11
364.6723328	0.17
366.0001221	0.33
366.7260437	0.05
371.9359436	0.05
377.9634094	0.16
379.9969788	0.09
382.0246277	100.00
384.3995667	0.02
385.3970947	0.03
390.3443298	0.05
395.9876099	0.02
407.2911072	0.39
408.1149902	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
187.986145	0.02
189.0642395	0.03
200.2638245	0.04
213.1319122	0.05
215.0916748	0.11
218.0530701	0.08
227.8864746	0.15
245.1385803	0.02
246.0222931	0.03
255.8386993	0.07
257.1747131	0.09
258.0826416	0.10
267.2192383	0.03
273.0481873	0.02
274.121521	0.64
281.1882019	0.05
285.2337036	0.05
286.9420776	0.01
300.0377502	0.04
301.2615356	0.28
302.1464539	2.80
317.0624695	100.00
333.37323	0.03
416.0194702	0.07
463.1303101	0.41
467.3291626	0.05
470.3621216	0.08
481.2318726	0.05
491.0084839	0.20
512.1414185	0.07
514.5413208	0.12
523.4106445	0.03
526.3722534	0.13
538.3787231	0.08
541.3052979	0.03
548.1459351	0.04
559.2521362	0.10
571.2617188	0.01
581.6704102	0.11
582.7080078	0.02
585.6795044	0.04
586.9460449	0.06
589.1712036	0.01
601.1914673	0.07
606.7424927	0.09
607.467041	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	290.1413
Annotation	Chloropyramine
Peak:m/z	Relative Intensity
85.1227341	0.10
87.0733337	0.24
89.7828827	0.07
90.9618149	0.64
93.0246582	0.44
94.9807434	0.18
97.2161713	0.17
99.0055084	1.45
104.9966202	1.14
106.9513855	1.58
109.0518341	3.59
111.0382767	0.14
113.1788177	0.06
120.0185394	0.10
121.8842392	24.48
123.0960007	0.64
125.0138321	0.65
126.8271408	0.23
130.0058899	0.04
133.0003967	13.47
136.9639130	0.07
140.8629150	0.06
147.1273804	0.03
151.0230560	20.84
165.1907501	0.06
169.0024109	100.00
171.1600189	0.10
184.0871887	0.07
187.2409973	0.05
198.2255554	0.11
200.0677185	0.75
209.0705566	0.04
214.3309021	0.04
215.1271057	0.04
219.0821533	0.03
225.9300232	0.39
230.1871033	0.05
234.0394592	0.03
237.3121033	0.07
241.0636902	0.06
244.2064514	0.67
247.0462036	0.07
251.0487366	0.03
255.2168884	0.21
256.2138367	0.03
272.1553345	4.67
272.8345337	9.44
281.1427002	0.26
282.3350830	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	509.13
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
148.9664307	1.79
156.0281067	0.15
161.1741333	0.08
164.0153503	0.08
164.9691315	1.57
166.9822693	0.41
178.9411163	0.30
180.0628967	0.05
180.8071899	0.04
187.8292847	0.09
189.1216736	0.05
190.9993591	0.51
191.9128571	0.64
193.0131531	7.48
201.1741028	0.06
205.0982513	0.06
206.9486694	0.72
216.9564209	0.13
220.3655701	0.55
221.0821228	0.37
222.9634705	0.04
232.8296509	0.12
234.9967194	0.10
237.1123962	0.07
238.8508301	0.31
242.3009644	0.11
246.1987305	0.07
247.1564941	0.13
250.9763336	0.54
258.9317322	0.27
261.0228271	2.75
263.3360596	0.08
265.0518494	0.34
268.2324219	0.09
270.3847046	0.04
271.0910645	0.05
274.2236328	0.08
275.2745056	0.11
276.2383728	0.15
277.9560547	0.04
281.0556030	0.05
282.3107300	0.11
287.0051270	0.23
288.3666382	0.18
293.1877441	0.56
297.2270508	0.09
299.3901367	0.06
301.2243652	0.78
303.1843262	2.30
304.3363647	0.06
309.9062500	0.14
311.0800171	2.16
314.2371826	2.22
315.1184082	0.12
319.1426392	1.15
327.0881348	0.06
329.1111450	100.00
329.7518311	0.12
331.2864990	3.80
333.1169434	0.06
341.1141357	0.09
345.2233887	1.21
346.5023804	5.27
347.1098633	83.37
355.2081909	45.41
357.1975708	0.66
359.2222290	1.76
371.0949097	0.84
373.0498657	0.14
377.4739990	0.11
383.0924072	0.36
387.3833008	0.20
389.2507324	1.17
399.2374268	0.09
405.4476318	0.06
409.4721069	0.08
413.2047119	0.36
419.2543945	0.12
422.2455444	0.15
423.3867798	0.19
425.5330811	0.13
434.3577271	0.25
439.3668213	0.09
463.1946411	61.13
465.4679565	0.45
473.0475464	0.30
475.8060303	0.13
477.3995361	0.21
491.2548218	3.55
494.4544067	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	561.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
174.9252930	0.05
195.1360931	0.16
196.1291351	0.80
213.0327911	14.66
296.5928345	0.04
327.2727661	0.07
369.7302246	0.09
371.0907593	0.02
387.0007324	100.00
387.6777344	0.70
393.0245361	0.05
406.3284302	0.04
425.2198486	0.02
428.8547363	0.03
473.8201904	0.09
476.9962769	0.14
493.0943604	0.03
514.9577026	0.13
543.1794434	0.05
543.9356079	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
186.9246674	0.04
189.9764862	0.12
203.1066284	0.10
217.071106	0.03
218.155365	0.17
228.4787598	0.17
230.065094	0.02
230.8815613	0.02
245.1494446	0.04
246.3752747	0.01
255.5576172	0.14
257.1040039	0.08
270.3862915	0.07
272.6777954	0.05
274.0368652	0.94
284.2939148	0.05
285.1447144	0.15
287.1269836	0.03
289.4069214	0.02
300.9663086	0.23
302.1725159	2.71
304.2475586	0.02
308.7223511	0.05
317.0621948	100.00
317.7815552	0.41
359.2684937	0.02
437.3913574	0.04
445.02771	0.04
454.9348145	0.02
463.1732788	0.07
479.0805054	0.07
484.8876343	0.03
505.2200928	0.07
539.9485474	0.04
544.7197876	0.05
548.7449341	0.08
558.5011597	0.02
566.9481812	0.03
581.2129517	0.13
588.5401611	0.07
593.2766724	0.09
606.5244141	0.11
607.4125977	0.11
625.2789917	0.03
639.1349487	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	517.1324
Annotation	2'',6''-Di-O-Acetyl isovitexin
Peak:m/z	Relative Intensity
319.1303711	0.08
331.0650024	0.04
355.1165161	100.00
459.3168335	0.04
472.2344360	0.03
499.1569214	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1524
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
201.2552795	0.14
206.2552948	0.37
243.2109833	0.33
274.2087402	0.69
275.0558472	0.32
302.129425	4.07
303.197998	5.27
306.6938171	0.10
317.065918	100.00
318.1105957	93.26
318.7108154	0.88
324.519165	0.68
371.0231323	0.47
446.0510864	0.90
461.4093628	0.35
462.9347534	0.27
464.1894531	0.80
478.942749	0.25
484.8623657	0.22
495.4660645	0.33
535.8189087	0.21
554.553894	0.40
572.5578003	0.11
591.1803589	0.23
608.0592651	1.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
110.9721909	67.48
112.8548660	0.06
119.1323547	0.32
127.9331436	0.27
128.8114777	0.15
131.1616211	0.11
154.9578247	2.85
161.1573486	0.31
172.9267883	100.00
178.9885101	1.07
181.1543274	0.16
195.1509705	0.14
203.1591644	0.24
220.1340942	0.18
220.7711487	0.35
233.2572632	0.28
243.0176697	0.14
263.2046509	2.31
276.9831543	4.83
278.8894348	0.26
281.5280151	0.29
291.1452637	0.11
293.1311035	2.20
307.1370850	0.14
322.9623718	0.35
335.1054688	2.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
103.0579376	0.17
106.9806671	0.93
109.047493	2.65
111.0282288	0.60
112.9365005	0.11
117.0221252	0.39
118.9599075	0.28
121.0535736	4.40
122.9823532	0.83
125.0358124	0.28
126.1387634	0.23
126.9431915	0.11
129.0715332	0.07
131.0579529	0.95
133.0128174	0.88
135.07547	2.80
136.87323	0.15
137.995285	0.10
138.7918091	0.19
141.0202942	0.13
143.0095825	0.83
144.0652161	0.11
145.1349487	0.20
146.8754883	1.71
148.9464569	1.36
150.9475403	0.29
155.0379333	0.22
157.0097198	1.14
159.0169678	0.50
161.072525	3.24
163.093689	1.19
165.0113373	1.16
165.9832611	0.28
167.0024872	0.60
168.9871826	0.97
170.1901245	0.12
170.951004	0.21
173.0660858	1.43
175.0228577	1.30
177.1404572	0.35
179.0608826	0.37
181.9940796	0.19
182.9957275	0.77
185.0675964	0.62
186.9649048	1.35
189.2017365	0.79
191.0550842	0.21
195.1303711	0.23
197.1612244	1.04
199.1965637	0.27
200.9426575	0.55
203.0504303	0.56
205.30867	0.50
207.0146179	0.19
209.3841553	0.80
211.0051575	0.45
214.0534668	0.45
215.2633667	0.42
217.1784058	1.70
219.2993469	0.39
220.2820435	0.12
221.0380249	0.20
223.0013428	1.07
224.894104	0.15
226.5154114	0.24
227.6091919	0.28
229.0670471	0.20
231.0966797	0.69
233.0699158	0.35
235.0220337	0.26
237.0397034	0.60
239.1855469	1.08
241.223053	0.64
241.9474792	0.13
243.4789429	0.05
245.0660706	0.91
247.2480774	7.24
251.1843872	0.64
253.2684631	0.64
254.1456909	0.31
255.1894531	0.42
256.9822388	0.65
258.259552	0.23
259.1557312	1.67
259.7641296	0.14
261.0997925	0.38
262.2303772	0.07
263.0632935	0.11
267.1001587	0.54
268.2182312	0.25
269.0484619	0.38
271.1316528	0.47
273.1603699	0.33
277.2296753	0.15
281.1594543	0.81
282.9843445	0.55
284.0968323	0.16
285.1264954	0.49
286.967865	0.28
292.1578979	0.72
294.1626282	0.18
295.0673828	1.89
295.681488	0.03
297.3161316	0.96
299.1573486	2.35
299.8559875	0.15
305.2492981	1.97
306.4511414	0.06
307.1904907	0.08
313.5814819	0.27
314.2390442	0.22
323.2453308	100.00
324.2220764	0.93
332.2302856	0.21
341.2876587	1.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.1421
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
242.1047211	0.23
287.0647888	100.00
287.6725464	0.13
335.3093262	0.11
371.0456543	0.33
385.2053223	0.15
407.2849731	0.14
416.9090576	0.06
423.5164795	0.41
432.605957	0.07
433.2589111	0.36
465.9384155	0.07
509.1083374	0.12
518.9329224	0.27
548.9959106	0.34
559.0193481	0.07
559.7352905	0.05
566.9093018	0.06
574.8990479	0.63
576.9217529	0.18
579.1049805	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	414.04
Annotation	Unknow
Peak:m/z	Relative Intensity
137.9004822	0.06
144.8368378	0.08
204.2151184	0.34
232.5536499	0.05
233.9154053	0.18
235.0396729	0.03
245.0829468	0.03
251.9735107	0.07
253.2698975	0.03
255.1161804	0.02
276.3851318	0.02
288.5246887	0.50
289.1574097	0.27
294.0905762	5.16
297.2661438	0.05
299.1264648	0.03
306.0018921	2.39
307.8895569	0.14
310.1614380	0.10
318.2001038	0.04
323.9852905	100.00
324.9611206	0.55
329.7971191	0.16
336.0101318	0.06
354.1428223	0.07
355.4730225	0.05
365.7241821	0.15
377.9249573	1.15
378.5361633	0.09
384.3439636	0.07
393.1934509	0.07
395.9833069	8.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
217.1417542	0.58
227.7872467	0.22
229.1346741	0.16
246.723587	0.33
274.1891174	1.22
275.2937012	0.47
296.0515137	0.22
301.4683228	1.37
302.0979614	3.09
303.131073	5.41
309.1079102	0.13
313.2404785	0.24
317.0754395	92.61
318.1371155	100.00
325.3167114	0.33
380.0723267	0.18
386.532959	0.24
387.9578247	0.33
403.1491089	0.62
425.9146118	0.17
434.9846191	0.16
438.2434692	0.43
463.9655762	0.09
472.0263062	0.12
567.1687012	0.10
584.7250366	0.35
608.3400269	1.33
609.0966187	1.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	320.1151
Annotation	Salbutamol 4-O-sulfate
Peak:m/z	Relative Intensity
92.9105988	0.11
99.9821777	0.52
101.7113190	0.35
102.9493103	0.05
105.0044098	0.04
108.9384003	0.17
110.8952484	0.12
112.3059921	0.09
112.9101944	0.18
116.3109283	0.25
117.0509949	0.24
118.9278870	0.20
120.8938446	0.06
126.9091873	0.09
130.9705200	0.10
133.0204773	0.21
134.0682526	0.19
137.0696106	0.11
137.9139709	0.03
138.8878479	0.08
140.1988831	0.06
141.9256287	0.12
142.8980103	0.05
143.9815674	0.18
150.0471802	2.93
150.9284058	0.06
151.9060059	0.04
154.1362610	0.13
158.9947815	18.53
160.0561218	0.99
161.0257874	3.01
162.0523224	1.22
163.1296692	0.04
165.3141785	0.44
166.8891449	0.07
170.2742615	0.48
171.1511383	0.14
173.1365356	0.05
173.9215088	0.13
175.9631805	46.17
178.2185364	0.04
180.0809631	0.06
181.3091736	0.05
182.8503418	0.30
185.1340027	0.15
186.2271118	0.40
188.1194153	42.39
189.1542816	0.11
192.8889465	0.31
196.0245667	0.13
199.2540283	0.15
200.0375519	0.24
202.2377777	0.19
204.1429749	0.06
209.8916931	0.74
211.0170593	0.13
212.1259155	0.16
212.8977661	0.04
214.0252991	0.72
215.7991638	0.09
217.0006714	0.06
218.1701965	0.76
220.0019836	0.10
223.2782288	0.33
226.9126282	0.25
227.9997864	0.40
229.7905579	0.55
231.4663696	0.33
232.2099304	1.24
235.0352478	0.43
237.9842834	0.11
243.3565369	0.04
246.1047668	100.00
247.1696777	0.13
248.1060181	0.84
255.1149902	0.06
256.2698669	0.04
257.0275879	0.32
258.7620850	0.37
260.2157593	1.03
261.1119995	0.15
267.1482239	0.16
271.1258545	2.27
274.1145630	1.26
275.4470825	0.24
276.1626892	0.39
278.9876709	0.55
284.2058716	1.19
285.0599976	0.81
286.2336121	0.04
288.9252014	0.61
289.8908997	0.16
292.1814270	17.79
296.7319336	0.41
302.1266785	5.56
303.1902771	1.19
304.2670288	0.13
308.8721924	0.13
311.5888062	0.07
332.2861633	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
79.13790894	0.21
88.90603638	0.75
97.10533905	0.84
114.9713898	0.55
125.1312256	0.29
130.6237488	0.27
137.2178345	0.12
138.0197906	0.46
143.1124268	0.67
146.1566467	0.23
147.1265411	0.25
148.9997253	0.62
161.0479889	0.30
165.1068878	0.52
167.140152	0.41
169.0277405	0.36
176.8902435	0.45
178.9614105	1.36
180.0945435	0.14
181.2454681	0.20
187.150116	0.13
191.9657745	0.20
193.2801971	0.97
205.2204742	0.57
207.0111847	5.28
208.0799408	1.85
209.207016	3.76
209.8527374	0.21
220.9338074	1.04
222.2604065	2.34
223.1345367	4.41
224.0452576	0.44
232.8447418	3.33
236.8806305	0.35
251.0699615	100.00
252.1538239	19.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	487.1217
Annotation	Epigallocatechin 3-O-(3,5-di-O-methylgallate)
Peak:m/z	Relative Intensity
204.8428040	0.02
220.9538269	0.01
230.9987793	0.04
262.6661987	0.01
265.3571777	0.02
273.0250854	0.01
294.1696472	0.02
298.1759644	0.01
302.0558472	0.01
325.1101379	100.00
325.7543335	0.09
335.2563782	0.03
355.0758972	0.06
365.2721252	0.01
366.9863281	0.02
376.0410156	0.01
385.0477600	0.01
388.2839661	0.35
394.9559021	0.01
416.0710144	0.01
442.3760376	0.03
450.2897644	0.01
469.4041443	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
99.10391998	0.08
104.7892456	0.09
106.9972076	1.60
108.9755096	2.88
110.899765	0.42
114.7866211	0.25
116.8569336	0.26
118.9182968	0.09
120.9476013	2.36
123.0140533	0.95
124.9767685	0.30
128.9009857	0.11
131.0128784	0.27
132.9461517	0.60
135.0742493	3.98
137.1129913	0.76
140.9877319	0.33
143.0480957	0.93
144.9534607	0.35
145.8577576	0.02
146.9352417	2.77
148.9438934	1.91
149.5497131	0.04
151.1010132	0.95
151.9602966	0.15
153.1947327	0.05
155.0615845	0.15
156.990509	0.58
158.8928833	0.43
160.9803162	2.82
163.1144714	0.89
165.0560303	0.46
166.0106201	0.04
167.0923004	0.29
169.0275574	1.32
171.0987244	0.45
173.1333008	0.96
175.0384674	2.06
177.1601257	0.22
178.9381714	0.05
181.1016235	0.38
182.930542	0.86
185.1266174	0.04
187.1287384	1.20
187.9510803	0.19
189.0799866	0.85
189.8378143	0.08
191.0637054	0.25
193.0926208	0.15
194.9100952	0.09
197.1313171	0.20
199.0954437	0.39
201.0076141	0.35
203.0754547	0.92
204.3408813	0.08
205.2609253	0.75
207.0020599	0.10
209.1438904	0.22
210.4394836	0.22
211.0565796	0.79
213.0284119	0.11
215.1199646	0.47
217.0764465	2.03
219.0561218	0.44
220.5502319	0.08
221.2158813	0.15
223.0997009	0.54
223.9567871	0.13
225.1733093	0.12
227.0802002	0.23
228.9855652	0.37
230.4030151	0.15
231.1349182	0.92
233.0716248	0.24
239.0421143	0.04
241.2414551	0.46
243.1558838	0.18
245.1240845	1.33
247.3092041	5.97
249.6650085	0.29
251.1793213	0.61
253.2593994	0.22
254.1746826	0.10
255.1038818	0.19
257.2312622	0.19
259.1804199	0.81
263.3684692	0.09
264.1583557	0.11
265.0020142	0.21
266.0743408	0.14
267.1921692	0.36
269.2294312	0.52
271.3168945	0.42
273.326355	0.05
277.2996826	0.53
279.0455322	0.25
281.2676392	0.50
283.1675415	0.44
285.1871338	0.19
287.2537842	0.12
291.2678223	0.07
292.2263184	0.09
295.138031	0.71
296.0423889	0.41
297.2090759	0.28
299.1859741	2.07
299.9403076	0.22
303.5554504	0.08
305.2186279	2.03
309.1584778	0.04
310.6951294	0.02
313.3195801	0.40
321.4003601	0.15
323.2437744	100.00
323.8494263	0.32
325.5744324	0.11
341.0215149	1.56
342.0081177	0.20
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
93.12084961	0.06
95.1266098	1.04
97.05954742	0.93
98.9280777	0.25
99.98286438	0.13
100.9636002	0.09
103.0212402	0.07
107.0131836	0.10
108.9399261	2.09
111.0332718	0.64
112.8600693	0.14
114.9447784	0.11
118.9776688	0.18
121.1400146	0.85
123.0538635	1.25
125.0027313	0.36
125.923584	0.10
126.8675232	0.42
128.8209839	0.22
131.0857239	0.11
135.0363464	0.35
137.079422	0.21
139.0562439	6.45
139.8307495	0.04
140.9362183	0.56
143.0560913	0.46
144.9628906	0.04
146.2168579	0.10
149.0122375	0.62
149.9166412	0.10
151.0994263	0.41
153.0835876	2.85
155.0013275	0.43
156.9496155	0.32
159.239151	0.17
161.2059631	0.27
164.7799988	0.04
166.9908447	1.00
169.0395355	1.61
170.9672852	0.51
173.2079926	0.13
175.289856	0.15
177.0322571	0.15
179.0471497	0.20
180.9541931	0.32
183.0777893	0.92
184.9802856	0.78
186.0112152	0.09
189.1346741	0.17
191.1061707	0.26
192.8829956	0.52
195.0244141	0.73
197.0511322	2.60
198.9790649	0.44
201.0031433	0.13
203.2018738	1.57
205.3635559	0.14
207.2881165	0.31
209.0505066	0.77
211.0862732	1.98
213.2579346	1.04
215.0200806	0.49
217.3678894	0.18
219.1769714	0.63
221.262085	4.66
222.7964783	0.43
225.0771179	0.67
227.2552795	0.44
228.9743958	0.10
230.0891724	0.12
231.1937561	0.14
233.1526489	0.62
235.1940308	0.05
236.1092529	0.14
237.0930176	3.02
239.176178	9.73
241.0488892	0.10
243.2062988	0.46
251.2103577	1.58
253.0366821	0.69
253.6732788	0.22
255.2243042	0.60
257.0709534	0.67
261.1639404	1.48
262.2981567	0.06
266.0525208	0.06
269.2553101	0.28
270.1576843	0.02
279.22995	100.00
280.321991	0.18
281.1901245	0.82
297.2600403	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
76.86894226	0.55
79.00481415	0.21
81.02980042	2.13
82.84759521	1.96
88.89283752	0.18
90.95954895	0.36
94.88769531	3.78
96.98709106	1.49
98.84539795	1.09
102.9266052	1.58
106.9785614	0.57
108.9804077	2.09
110.9323425	1.15
114.8358917	0.65
118.9829102	0.84
120.9395294	1.35
123.0930634	1.15
125.0538483	0.90
126.9309082	0.80
128.8820801	6.88
130.9763184	0.16
132.7399292	0.81
135.1186371	1.19
137.1089325	1.46
139.0760651	0.55
141.0142365	2.16
143.0684052	0.41
144.9745636	0.17
147.0067291	1.70
149.0406799	0.79
151.016922	66.08
152.069046	4.35
152.9304962	2.88
155.0317841	2.69
157.0745392	1.62
161.1374359	2.22
165.1707458	0.63
167.0782928	2.97
167.9639893	0.50
169.0402069	3.38
171.145462	2.21
173.0242157	0.20
175.0242767	0.55
176.740387	1.37
177.5414886	0.89
179.0827026	7.83
180.203537	0.33
181.9705658	0.90
182.9951324	2.05
185.0989532	3.16
190.1698761	0.58
191.1175385	1.10
193.0716095	2.22
194.1864624	0.53
195.0109558	1.35
197.1072845	8.24
199.2114563	1.93
201.4942627	0.55
203.2886505	0.19
205.1051483	0.57
207.0822144	3.63
209.2518463	0.79
210.6095734	0.48
211.2251587	3.43
212.0995331	0.58
215.232132	0.14
217.1606903	7.10
223.3203583	0.23
224.4716034	2.04
225.2137146	8.52
226.2650299	3.46
231.2542114	1.25
234.2990723	0.37
235.2089844	24.72
236.0236206	0.21
236.9632568	0.45
238.030014	12.10
239.0415802	3.53
251.0641022	0.18
253.0840912	100.00
254.1898804	15.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
317.0708618	76.43
318.2105103	100.00
412.3503418	1.70
566.0762939	1.22
598.338623	2.00
608.2908325	0.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	641.1356
Annotation	Myricetin 3,3'-digalactoside
Peak:m/z	Relative Intensity
207.9375916	0.05
268.2904358	0.04
298.9350586	0.07
301.8852234	0.05
305.9397888	0.54
315.2509155	0.11
316.5527039	0.55
317.1702881	6.30
320.1430664	0.04
326.9052734	0.05
338.2999268	0.11
415.2537842	0.19
460.1460571	0.09
460.8352051	0.14
479.1754150	100.00
489.3883667	0.04
504.7496338	0.04
508.0083618	0.11
509.3898315	0.02
515.3756714	0.29
517.3297729	0.06
521.1311646	0.26
538.4318237	0.09
545.0258179	0.32
553.3555908	0.10
595.1560669	0.43
597.1181641	0.35
623.1047974	0.81
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
85.10496521	0.03
86.89242554	0.16
89.04125977	0.04
92.86435699	0.15
95.06860352	1.18
96.82453918	1.29
99.0117569	0.63
104.726181	0.14
106.9885025	0.35
107.9338684	0.11
108.9324646	2.31
110.8507919	0.67
112.9427948	0.97
114.8453293	0.26
117.04039	0.04
118.9741516	0.33
120.9700317	0.95
123.0219269	3.49
124.9128418	0.73
126.9360046	0.42
128.9511261	0.47
131.208252	0.16
132.9619446	0.51
135.1800842	0.76
137.1104736	0.84
138.9784546	6.07
141.0259094	0.81
143.0351105	0.31
144.045929	0.15
145.2010345	0.08
147.0409546	0.63
149.1248322	0.72
150.8408661	0.91
153.0773621	3.07
154.9741516	0.76
156.9783936	0.92
159.0031128	0.15
161.1369324	1.25
163.1675415	0.13
164.9746094	0.15
167.0647736	0.71
169.0332947	0.67
171.0612793	1.45
172.8192444	0.54
175.0840149	1.06
177.0277252	0.22
179.073349	0.80
181.1693268	1.16
181.9899445	0.07
183.0792542	1.64
185.1719666	0.45
187.0779114	0.33
189.0987701	1.07
191.0972595	0.26
193.1750488	1.77
195.3110046	0.67
197.1222229	4.13
199.1876526	1.13
203.18396	3.14
207.1694336	0.37
209.0126648	1.40
211.168396	1.01
213.0792236	0.59
217.0705261	0.17
219.1781311	1.15
221.190033	7.21
223.2304077	0.86
224.8651428	0.30
225.6244507	0.06
226.2281494	0.16
227.1791077	1.53
233.1377869	1.23
234.9944763	0.06
237.2345581	6.81
239.1512756	15.78
241.1020508	1.00
243.3145752	1.96
251.289917	1.07
252.0431519	0.06
253.238739	1.39
255.158905	1.59
257.1052856	1.99
261.098877	2.83
261.8515015	0.22
265.1524353	0.04
268.1533203	0.21
279.2406616	100.00
280.206604	0.22
281.1207581	0.42
287.5804443	0.26
288.328125	0.40
296.7795105	0.08
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
88.84887695	0.27
90.83278656	0.09
95.05117798	1.94
97.0014801	1.90
98.93778992	0.77
104.7639694	0.10
106.9199066	0.40
108.9950867	2.94
110.9188919	0.31
112.8806381	0.64
115.2520218	0.04
116.9448853	0.13
119.059433	0.12
120.9862518	0.82
122.8894882	1.79
124.8815918	1.06
127.0266876	0.40
128.9022675	0.18
130.770462	0.42
133.1411133	1.13
135.0985107	1.11
136.9228516	1.44
138.9846191	2.47
141.2394409	0.52
142.9300842	0.41
144.8828278	0.24
147.0991669	0.72
149.1402283	0.65
150.9851379	1.32
153.0791016	1.67
154.7191772	0.12
155.3564453	0.17
157.0740051	0.12
159.1986694	0.26
160.9768372	0.92
163.1605835	0.99
165.2313538	0.87
167.0891113	1.14
168.9440918	0.87
171.0009613	0.59
172.9730835	0.46
175.0090637	0.63
177.0255127	0.26
178.8951874	0.67
180.8792114	0.30
182.1577454	0.39
183.0880432	3.45
185.1976318	1.82
187.2122498	0.31
189.1946411	0.43
190.9181824	0.30
193.1599121	0.65
195.0752869	0.61
196.9682312	3.26
197.5806274	0.23
199.1121216	1.20
201.0642395	0.57
202.056488	0.08
203.1772156	1.98
205.1564636	0.15
207.0480347	0.29
209.1063232	0.86
211.1201782	3.68
213.1203613	1.19
215.1259155	0.67
216.2352905	0.17
219.190155	1.07
221.2063599	2.53
222.9958496	0.61
223.5969543	0.12
225.1877747	2.32
227.2012939	0.83
229.0871277	0.24
233.2115173	2.87
235.171051	0.77
235.9571533	0.07
237.2568359	5.50
239.1794434	12.17
241.2306519	0.85
243.2492676	2.19
247.0625916	0.24
250.6462402	0.62
251.2832947	2.85
253.2232666	0.62
254.1813965	0.14
255.2354736	1.79
255.9882202	0.24
257.196167	1.32
261.0529785	3.46
263.2105713	0.32
265.062439	0.06
267.3007812	0.15
268.9655762	0.24
277.5316772	0.15
279.2229614	100.00
280.2767944	1.02
281.2701111	0.60
287.9609985	2.12
296.7587891	0.07
297.4490967	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	337.0777
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
98.9386902	0.35
101.0397263	0.32
110.9696960	0.36
113.0312653	1.12
114.4206467	0.17
115.0493546	0.87
119.0174103	0.05
123.0644989	0.05
125.0139465	0.10
126.9225845	0.89
129.0427551	0.76
131.1387939	0.13
134.9083252	0.05
138.9958954	0.30
140.9495850	0.09
142.9483032	0.09
148.9926147	2.34
155.0494690	0.10
156.9819336	2.01
157.7978821	0.02
159.2989502	0.08
160.9829712	0.13
167.1962128	0.03
169.0277710	1.22
171.1488800	0.02
172.3128357	0.02
173.1325378	0.02
174.0625305	1.45
175.0380096	1.01
181.1732178	0.02
187.1201477	0.04
188.9438934	0.14
199.1952972	0.02
205.1983185	0.02
206.9540863	0.03
219.0914612	0.01
233.0568848	0.13
237.2089539	0.29
241.1024170	0.03
247.0049744	0.08
259.1097717	0.04
260.6938782	0.02
262.9769897	0.22
277.0472412	100.00
278.0724487	0.56
291.1479797	0.07
292.9602051	0.03
306.4744568	0.02
319.1033325	0.72
319.7619934	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	256.0809
Annotation	Nicotinate D-ribonucleoside
Peak:m/z	Relative Intensity
84.8082962	0.10
87.8727722	0.03
94.8940430	0.02
110.2766571	0.01
112.0661621	0.04
115.1174774	0.08
123.9138336	100.00
124.8185120	0.01
129.8669128	0.09
133.1096344	0.30
140.0073547	0.03
149.4174652	0.02
150.1866913	0.02
156.1548309	0.01
163.0475616	0.02
165.9626923	0.04
168.0924835	0.02
178.2294159	0.05
191.9582367	0.08
194.0343323	0.03
195.9844818	0.02
200.0036469	0.02
208.0263062	0.03
210.2855377	0.11
211.9473877	0.04
220.1064758	0.03
221.0702667	0.02
226.2009735	0.02
228.0716400	0.13
238.1072540	0.67
239.0681610	0.02
257.0774231	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1524
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
203.1103058	0.09
217.3253479	0.12
218.1555481	0.02
228.1315002	0.22
228.8761139	0.07
230.9019165	0.09
240.2677307	0.02
242.3201752	0.02
245.0326996	0.10
246.1695099	0.11
271.2894287	0.03
272.8888855	0.05
274.0434265	0.65
275.1950073	0.06
285.1879578	0.09
285.8134155	0.01
287.3727417	0.04
291.2359009	0.06
299.1431885	0.02
302.0749512	3.65
317.0698853	100.00
317.9423523	0.05
332.222229	0.12
436.8859863	0.03
445.1915894	0.03
463.1499023	0.22
475.3557129	0.14
493.0297241	0.07
499.2365112	0.04
505.2741089	0.05
565.1144409	0.02
575.1973877	0.05
589.3373413	0.02
593.5691528	0.02
602.8627319	0.02
607.2280884	0.17
612.6928101	0.18
626.7159424	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.16
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
174.8779907	0.03
201.2148285	0.15
214.9202576	0.06
216.7138062	0.10
229.0328369	0.08
229.9358826	0.22
232.1211243	0.07
243.1538544	0.06
246.8857422	0.10
254.9829254	0.06
257.1665039	0.12
258.0620728	0.09
263.1516113	0.25
268.3090515	0.42
269.0011292	0.04
277.9371338	0.16
285.1553955	0.13
286.118042	2.25
301.069458	100.00
301.7563782	0.70
314.0119019	0.05
403.1522217	0.04
413.1408081	0.13
437.0617065	0.07
441.1333008	0.06
454.7281494	0.16
475.0751343	0.59
493.43573	0.04
498.8102417	0.09
504.0663452	0.14
527.7451172	0.20
544.8417969	0.23
551.5426025	0.15
553.3656006	0.36
561.0641479	0.28
563.3357544	0.07
572.9690552	0.03
579.0809937	0.03
591.2284546	0.54
614.6143799	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	474.1897
Annotation	OA-6129 B1
Peak:m/z	Relative Intensity
143.8413849	1.73
145.1334076	0.04
148.9535828	0.36
154.9611053	0.05
162.0341797	14.47
168.9145355	0.19
172.2847748	0.06
179.0076599	8.70
181.1436920	0.06
215.1121674	0.44
224.8966064	0.29
239.1705780	0.06
242.1161041	4.39
244.9567261	0.68
267.1298218	0.12
272.2246094	0.09
305.5622864	0.34
308.0831909	0.98
323.7988586	0.04
327.7089844	0.96
345.1069336	100.00
345.7952271	0.37
370.7431946	0.08
371.4435120	0.13
373.3512878	0.10
380.8927612	0.13
399.2723999	5.56
428.2813721	0.14
430.0180664	0.11
438.5142517	0.05
439.7377014	0.25
456.2622986	0.81
456.8939514	0.65
457.5031433	1.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.9393
Annotation	Unknow
Peak:m/z	Relative Intensity
130.9179535	0.04
159.0137024	0.77
199.0510712	0.02
229.0104980	0.19
247.0884705	0.03
257.1606750	0.06
271.0939331	0.11
272.9229431	100.00
340.0605469	0.13
341.1886597	0.07
343.3419800	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	661.1552
Annotation	SC 28762
Peak:m/z	Relative Intensity
212.1188354	0.16
251.0719757	0.09
267.0208435	0.09
268.1745605	0.05
279.2938843	0.07
281.1377563	0.17
295.0507202	0.68
296.2239990	0.44
308.9853210	0.08
309.9118652	0.40
320.0783691	0.05
323.0382385	3.14
324.1116943	2.69
325.0774536	0.30
336.9994507	0.73
338.0685425	9.79
339.0805664	11.56
339.9288940	0.07
351.9535522	1.56
353.1541748	70.25
354.1896973	100.00
366.3261108	0.04
367.0243530	0.13
382.0698242	0.24
395.1336670	0.44
396.2176514	0.24
451.5131226	0.05
465.2617798	0.09
486.2781372	0.05
497.5644531	0.29
508.3391113	0.47
515.5092163	0.05
516.2438965	0.25
566.1404419	0.09
578.4416504	0.11
581.6466064	0.05
591.1802368	0.04
602.2351685	0.15
626.2932739	0.09
630.1889648	0.06
647.6727295	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
75.12698364	0.26
127.0396729	0.22
146.3600922	0.74
149.1234131	0.31
151.1690216	0.22
159.0097809	0.52
161.0472565	0.16
177.1236877	0.56
178.6163788	0.30
179.2387238	0.76
179.9382172	1.18
181.0210876	0.09
182.9794769	0.59
189.3369293	0.47
196.9788055	0.30
205.0879364	0.93
206.0821838	0.23
207.0991821	2.16
208.1348572	5.21
209.2107086	1.22
209.948288	0.71
214.7203522	0.25
221.1430969	0.27
222.0690613	2.09
223.1446381	3.19
224.2934875	0.20
233.1617432	2.95
251.0732269	100.00
252.0922852	14.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	2859-88-3
Peak:m/z	Relative Intensity
83.28823853	0.16
96.90898132	0.25
105.0027313	0.46
110.7121582	0.29
112.942688	0.07
117.0447845	0.13
119.0214996	0.17
120.9661713	0.09
123.1309204	0.06
125.0637054	0.09
130.089798	0.49
135.0552673	0.08
142.9801331	0.07
146.1215057	0.32
147.2788239	0.32
148.9446259	0.06
152.0716858	0.11
153.0562897	0.06
155.3081818	0.27
161.0542145	0.66
163.1246796	0.07
169.1971436	0.46
174.2207031	0.15
176.6763916	0.13
179.1962128	0.55
183.1902008	0.17
189.2587128	0.19
191.103714	0.99
193.1009216	0.38
193.8949127	0.08
195.3133545	0.11
196.2100677	0.34
205.0266724	0.24
205.7977142	0.42
207.0795135	4.59
208.0691071	3.34
209.1644135	2.06
215.2372589	0.15
221.1911469	0.38
222.2099457	1.31
223.0251312	3.50
233.1327362	0.86
235.1262054	0.70
236.9401703	0.15
251.0630951	100.00
252.06427	20.51
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
77.12216187	0.17
80.9911499	0.68
82.97624969	0.49
83.97129059	0.11
84.79103088	0.23
86.90924072	0.32
90.93295288	1.28
93.02967834	0.88
94.8946228	2.18
97.10743713	0.80
102.8475342	0.88
105.0199127	1.21
107.005661	0.79
109.0644073	0.45
111.094986	0.95
112.8468018	0.38
114.823822	0.63
118.8721008	0.28
120.9019775	0.55
122.9319916	3.13
124.8866272	0.94
127.0698853	0.30
128.8883209	7.68
129.8012085	0.22
131.087326	0.89
133.3114166	0.51
134.9157867	1.95
137.1438446	2.70
139.1506195	0.32
141.0239716	2.62
145.0646362	1.27
146.9696198	2.14
149.2728424	0.66
150.978241	55.65
151.8088379	3.83
153.0486603	0.62
154.0295868	0.33
155.0182495	1.56
157.0069275	1.02
161.016983	0.75
163.109436	1.08
164.910965	1.66
166.0868988	0.36
167.0405273	3.61
169.1450653	1.33
171.1091919	0.69
173.3109741	0.72
175.0610199	1.18
177.1085968	0.20
178.9885864	1.00
179.9996033	0.34
182.1350555	0.12
182.974472	3.22
185.0582733	0.68
187.0325165	0.16
189.1285706	1.93
193.0846252	2.28
194.1838837	1.56
195.0552368	1.84
197.1629944	6.71
200.0460358	0.19
203.2426758	0.44
205.506134	0.15
206.9984283	1.54
209.0604706	0.66
210.3327789	1.24
211.1104736	1.70
211.8396454	0.24
216.6308441	1.03
217.2372742	4.71
223.0990448	1.32
225.1841583	8.03
226.1547699	1.52
230.6598663	2.33
233.1897125	0.16
235.0618896	19.50
236.1134491	0.27
238.1748199	7.89
243.6309357	1.25
244.3567047	0.36
251.3402557	0.51
253.0858612	100.00
254.1110077	10.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	385.13
Annotation	Unknow
Peak:m/z	Relative Intensity
204.9888916	0.67
223.2123718	0.40
235.1625671	0.09
241.0510559	0.04
255.9653625	0.06
264.2016602	0.04
265.2984619	0.07
271.1174011	0.23
272.2922058	0.05
277.5595093	0.10
283.0429688	0.74
289.1148682	0.22
291.4055786	0.15
293.2196350	0.21
295.1906128	1.10
299.2722473	0.26
305.1317139	0.21
311.2230835	0.10
313.0834961	0.24
324.9635010	0.77
337.3767090	0.15
339.1451111	100.00
341.0733032	1.08
343.4672546	0.07
355.1337585	0.48
365.3005981	0.11
366.2756653	0.16
366.9407654	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	623.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
195.1603241	0.05
241.4838409	0.14
263.2203979	0.10
287.1409912	0.43
311.1570435	0.09
348.3727417	0.07
379.1575928	0.19
385.9573975	0.22
415.3349609	0.05
419.2575684	0.06
430.0868530	0.10
439.2544556	0.42
440.9693604	0.08
442.6671753	0.15
445.2834473	0.14
466.9544067	0.29
474.1443481	0.07
475.3767090	0.18
478.0714111	0.12
481.3284302	0.11
491.3909912	0.44
503.2396851	0.17
507.7871704	0.12
527.0377197	0.30
530.7371826	0.33
538.2740479	0.11
546.5914307	0.35
559.6725464	0.15
577.3309937	100.00
595.3080444	0.09
598.3082275	0.08
605.3376465	0.72
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	419.1378
Annotation	E-3179
Peak:m/z	Relative Intensity
120.9776230	0.11
124.9066467	0.03
130.9735565	0.14
148.9829102	0.28
186.9659729	0.15
198.9080048	0.15
201.2001343	0.16
211.1026459	0.17
213.0215454	0.25
214.1268311	0.14
219.0820007	1.45
239.1451111	0.34
249.0959167	0.07
253.0423889	100.00
257.1566772	0.42
269.1483154	0.05
271.0395508	0.06
273.3117676	0.05
275.0699768	0.10
277.0511475	0.07
279.2913513	0.11
284.9765015	0.11
287.1408081	0.10
299.1974182	0.07
300.4967346	0.03
305.3187561	0.03
319.2909546	0.05
323.3003540	0.04
329.4329834	0.24
331.2603760	0.07
332.7846375	0.13
337.5014648	0.05
339.1069336	0.11
346.8572388	0.27
348.9643860	0.09
350.3175049	0.06
355.1990356	0.21
359.4138184	0.05
370.9346008	0.23
373.2127380	1.25
375.1701660	0.08
377.3221436	0.10
381.2852783	0.07
383.2377625	0.14
391.3744202	0.13
401.1362305	0.77
404.4895020	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	441.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
130.9403992	0.78
160.9884644	0.08
217.2431946	0.34
234.9559326	0.05
263.1817017	7.57
275.2294922	0.06
289.2902527	0.08
317.1524963	0.06
345.1325684	0.07
349.1066895	0.10
369.2777405	0.14
377.2260132	0.07
383.0875244	0.27
392.3553772	0.10
395.1376648	100.00
395.7542419	0.35
421.2727051	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	548.92
Annotation	Unknow
Peak:m/z	Relative Intensity
157.8716583	0.20
174.9837341	1.43
176.2370911	0.26
177.0957336	0.20
206.8230896	0.52
208.9512787	0.28
212.8930664	4.60
214.0285645	0.84
214.9715118	0.36
251.0052185	1.61
252.1930084	0.10
252.9605865	0.43
254.8954773	2.05
266.9982910	0.04
284.8832397	1.59
292.8618164	0.27
294.6857910	0.12
296.6553955	1.99
297.2626343	0.12
298.6545105	0.45
299.3186646	0.39
309.4788208	0.06
310.6170654	0.47
314.9403076	8.99
336.8911743	0.75
352.8832397	0.25
356.7752686	0.94
369.0179443	4.34
372.9921875	0.42
374.9331665	100.00
375.5977783	0.40
376.8353882	0.45
377.8518677	0.18
378.8681030	0.35
380.7475586	11.51
386.9481201	0.81
392.9716187	0.27
411.1783447	0.09
413.0996094	0.92
428.9618530	4.47
459.0556030	1.57
460.5368042	0.26
462.2750854	1.38
462.9237061	11.40
464.1140137	12.67
464.8332520	89.41
489.0220337	11.10
503.0504761	0.56
506.6160278	0.05
510.7355957	0.05
518.8534546	0.47
530.9445801	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1528
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
195.2196655	0.29
215.2532959	0.08
257.0432739	0.16
271.3273926	0.32
274.0730591	0.22
302.090271	2.47
303.1019287	0.13
310.3711548	0.13
311.2755127	0.34
317.0645142	100.00
317.7845459	0.36
329.0707397	0.19
335.2085571	0.27
340.5410156	0.18
342.1283569	0.09
371.3408813	0.08
374.505249	0.15
395.4963989	0.07
396.4696045	0.34
425.3742065	0.10
437.468811	0.36
462.9719849	0.35
465.772522	0.18
535.1286011	0.34
551.6348877	0.08
565.4330444	0.30
567.3994141	0.36
584.0174561	0.17
589.3284302	0.36
593.2189331	0.25
607.3738403	1.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	707.1578
Annotation	p-Coumaroyl vitisin A
Peak:m/z	Relative Intensity
289.2153320	0.08
310.1392212	0.30
327.9290466	0.02
338.3207397	0.06
339.3326416	0.04
354.1730957	0.09
366.0502319	0.15
367.1389771	0.21
383.0499878	0.04
384.3227539	0.22
392.9509277	0.03
397.8972778	0.06
399.1723633	100.00
402.0695801	0.15
451.3467407	0.07
458.2864380	0.03
475.0258179	0.06
485.5994873	0.09
488.1341553	0.03
513.9784546	0.04
516.1163330	0.07
559.2908325	0.10
640.8009033	0.21
644.6879272	0.41
649.7254639	0.07
654.1441650	0.06
683.2302856	0.05
688.4113159	0.03
690.2064819	0.20
691.0111694	0.11
706.6463623	0.06
709.2187500	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.1689
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
119.1161652	0.24
128.6918182	0.41
131.1587219	0.19
139.0057678	0.56
148.9578857	3.12
153.1824341	0.40
162.973587	0.17
165.2149353	0.33
170.0145569	4.76
171.1876221	0.15
179.2248688	1.04
183.0074005	100.00
183.9886932	17.28
185.1115417	0.37
195.610321	0.20
197.098465	11.87
198.0755615	11.40
199.0171814	1.47
204.8675842	0.46
207.1889648	0.14
211.0793152	3.34
212.1275024	0.49
213.165863	0.10
214.9302368	0.38
223.1572571	0.14
225.219696	2.58
226.074585	1.97
227.2219849	0.09
231.0086365	0.15
237.7998962	0.51
239.2363281	7.27
240.0308228	1.19
241.2992859	0.23
242.9765625	0.94
247.2636719	4.97
248.2453003	0.97
249.335968	2.47
251.2414551	0.19
253.2240601	2.46
254.1864319	1.28
255.0975342	1.94
256.3109741	0.62
263.5648193	0.11
265.3865356	0.61
267.2729187	3.93
268.8117981	0.12
273.2991943	0.09
274.9453735	0.74
281.359314	0.30
282.1663513	0.18
283.0630493	0.23
291.0020752	0.40
293.2250671	9.95
294.3096924	0.28
295.136261	0.20
299.0704041	0.17
311.2978516	12.27
312.3815002	1.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	495.1116
Annotation	Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
146.1903992	0.46
148.1258392	0.09
161.9084167	0.10
199.1976318	0.65
207.1838989	0.14
221.1060486	0.19
222.9277802	0.17
255.4851379	0.29
272.4293518	0.53
283.1267395	0.39
286.1627197	0.28
302.8544922	0.14
314.8690796	0.25
331.1759033	1.04
333.0513611	100.00
333.6828613	0.60
337.5213013	0.46
343.0379028	0.99
347.1819153	0.55
350.4544373	0.21
357.0839844	1.66
375.0630493	0.40
397.1724548	0.57
411.3146667	0.19
412.5662231	0.31
423.3387146	0.29
427.537384	1.77
429.0383911	1.19
435.3038025	0.32
441.1387024	0.46
449.4092102	0.61
451.6377869	0.25
453.9320984	0.40
454.7034302	0.10
459.2879333	0.61
464.6754456	0.63
477.0050964	3.16
478.0743103	0.53
480.2293091	0.25
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
161.1026001	0.33
164.3003235	0.15
173.1527405	0.04
177.0703125	0.07
179.1988220	0.25
187.0624084	0.30
188.1254272	0.10
201.0024261	0.06
202.5906830	0.15
203.2650146	0.23
205.1640167	0.18
211.1103516	0.08
211.9349060	0.08
214.9442139	0.10
217.0976410	0.03
225.3653564	0.03
227.1494598	0.21
229.2260132	0.07
231.0811768	0.23
243.1165466	0.47
245.1177063	3.38
247.0794220	0.11
251.3254547	0.06
255.0270844	0.15
269.0938110	0.31
271.0672607	0.10
273.0383606	2.78
275.0523682	0.02
281.2888489	0.03
287.1621704	8.14
289.1091309	23.96
297.2585144	0.06
299.2008667	6.47
301.3350830	0.02
305.1344604	0.03
308.1859131	0.04
309.4491577	0.03
310.9751587	0.28
315.1299438	0.08
321.2186890	0.10
327.1860352	0.09
329.2415161	0.42
331.1467285	0.59
337.2419434	0.05
339.2120972	0.44
341.1587524	0.10
351.2294312	0.06
355.1744385	0.03
357.1793823	0.28
369.2538452	0.18
381.2280884	1.51
383.3651733	0.17
389.0562744	0.04
393.2534790	0.08
394.5416870	0.06
395.1842651	0.04
397.0943604	0.08
397.7122192	0.02
405.2216187	0.17
407.1570435	72.59
407.7777710	0.20
408.4140015	0.07
409.2420654	0.52
410.2619019	0.34
411.0705566	0.06
413.5007324	0.05
415.1561890	0.20
423.2366943	0.21
425.2232666	100.00
427.3046265	0.05
433.2166138	0.58
437.1840820	0.07
438.9143066	0.16
444.3554077	0.04
448.7659302	0.20
449.3771362	0.79
451.1246338	30.81
455.1661987	0.02
467.1406250	0.57
471.4739990	0.07
473.4296265	0.02
475.4867554	0.02
491.1637573	0.34
492.0510864	0.04
493.2342529	0.21
494.0869141	0.07
500.7913818	0.36
509.5560913	0.06
514.4971313	0.04
515.3062744	0.17
525.1951904	0.03
531.4695435	0.06
533.2791138	0.99
534.2402954	0.22
541.3752441	0.17
559.2268677	11.34
559.8368530	0.03
567.6209106	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1536
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
214.7670441	0.15
229.1313782	0.12
235.2711487	0.07
251.1813354	0.47
281.2917786	0.14
287.0421753	0.05
302.0583496	3.89
303.2310791	0.07
313.1965332	0.14
317.0596313	100.00
317.7109375	0.75
318.3765869	0.34
337.1016846	0.10
355.3669434	0.28
366.2955322	0.30
371.3250122	0.25
375.4081421	0.36
385.3363037	0.27
386.3920898	0.20
387.1850586	0.08
409.3330688	0.18
437.3168335	0.21
455.1445312	0.08
463.2071533	0.15
478.5911255	0.71
534.9099121	0.08
537.6381226	0.76
562.0307617	0.09
566.2754517	0.07
567.637207	0.36
588.1323853	0.20
606.3881836	0.38
607.4526978	2.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	295.0458
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
87.0549316	0.19
102.9670563	0.60
112.8733826	4.98
119.0517044	1.25
130.8578644	0.72
148.9400635	4.63
151.1729126	0.07
158.7970581	0.02
162.9687347	100.00
179.4980621	0.03
188.8511353	0.11
193.2068787	0.02
207.0953979	0.03
222.6413879	0.05
231.1772766	0.03
249.0910339	0.12
277.0209351	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	350.1244
Annotation	Rhizocticin A
Peak:m/z	Relative Intensity
101.0486755	0.21
115.9417572	2.45
117.1938324	0.29
127.2828751	0.05
128.0156860	0.16
142.0244141	29.04
142.9212341	0.12
144.0632324	0.42
149.1614075	0.04
156.3377075	0.12
158.0609436	2.57
160.2579651	0.09
162.9161072	0.07
167.9759216	0.04
169.9978638	0.05
181.9892883	0.05
183.9560242	0.06
186.0070496	100.00
187.1483765	0.15
188.0787811	0.26
190.0299683	0.12
194.2058105	0.04
198.0399475	0.08
200.0789490	1.44
202.1094666	0.08
204.1069336	79.32
204.9545593	0.62
213.9973755	0.03
218.1549377	2.12
218.8966370	0.10
221.1101990	4.43
222.0949707	0.09
224.0954590	0.06
227.7022400	0.03
229.2414551	0.07
233.0273132	0.91
235.3185120	0.08
236.1408997	0.16
246.1496277	4.15
251.1705627	0.24
258.0554199	0.13
260.2318726	0.21
270.1571350	0.26
272.1260681	0.09
276.1463013	0.03
277.0158386	0.08
282.5461731	0.05
287.0050659	0.10
289.8881836	0.08
291.3191223	0.10
296.3716431	0.10
301.7300415	0.19
303.4192505	0.06
304.1627808	0.34
304.9560547	0.03
306.0536499	0.15
307.0084229	0.19
313.7414551	0.38
314.7873535	0.19
322.1306458	0.08
323.7316895	0.05
332.1548462	0.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	300.289
Annotation	Sphingosine
Peak:m/z	Relative Intensity
90.99219513	0.30
93.00065613	0.92
95.04532623	3.16
96.88195801	0.87
101.0159225	0.16
106.959404	0.43
109.0212097	2.25
110.9962769	1.10
112.0204468	0.22
116.0196533	0.04
117.9711609	1.39
121.0037842	1.37
123.0578995	1.06
125.0510406	0.35
130.1042175	0.20
133.086319	0.07
134.0204163	0.04
134.9587708	2.20
137.0318451	0.52
137.9317322	0.31
139.0804596	0.30
143.2082825	0.14
149.1471558	1.30
150.0855713	0.05
154.0774231	0.04
162.9472198	0.20
165.2236328	0.11
166.048645	0.06
170.1239471	0.50
171.2818756	0.06
172.157196	0.16
173.1719513	0.30
174.2918396	0.68
175.6828461	0.21
177.0240784	0.26
179.2326965	0.15
183.0248108	0.60
184.1109009	0.15
186.1638336	0.17
188.1986694	0.19
189.9974518	0.07
193.0209045	0.05
195.0951385	0.30
200.0630188	0.52
201.8548584	0.08
204.0311279	0.27
205.4162903	0.04
210.0225525	0.71
212.8139954	0.16
215.0524292	0.13
216.2060242	0.18
217.5631714	0.25
218.8581848	0.09
221.2017212	0.37
222.5461121	0.07
226.4501038	0.22
228.245575	0.06
235.1318054	0.63
236.853241	0.08
238.3388977	0.14
239.2635498	1.18
240.3297729	5.10
242.9755554	0.29
243.628418	0.15
245.1726074	0.08
246.4918518	0.35
247.2417297	1.88
250.9976807	1.50
252.2177734	0.27
254.2172241	13.81
255.169342	0.89
255.9605103	0.09
259.0039673	0.47
259.6202698	0.05
260.8378906	0.21
264.2628174	7.89
265.2242432	5.21
266.0413818	0.09
269.0739136	1.37
270.2833862	92.57
272.3367004	0.24
282.274292	100.00
283.1408691	6.05
283.8539429	0.14
290.5548096	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
186.8841095	0.30
217.0974426	0.46
218.000061	0.19
244.1846924	0.24
245.2764282	0.54
250.3283844	1.02
257.0477905	0.80
273.0896606	0.15
274.1657715	1.11
275.0371094	0.60
291.2582397	0.29
302.1532593	1.47
303.144104	3.66
317.0591431	83.39
318.1539917	100.00
319.3471069	0.56
351.5031128	0.15
366.7193604	0.18
437.1738281	0.27
437.9524536	0.23
467.9838257	0.15
518.3126831	0.78
530.3009644	1.96
535.3967896	0.90
541.1738281	0.83
551.4424438	1.05
562.9968872	0.32
581.6460571	1.09
588.3814087	0.15
590.2719116	1.05
597.3960571	0.41
607.3095703	0.80
608.4690552	0.25
609.1565552	0.77
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.09
Annotation	Phenytoin
Peak:m/z	Relative Intensity
80.9890213	3.41
82.85835266	2.73
84.96069336	0.94
91.05194092	0.65
93.00624847	0.66
94.94950867	11.22
96.89737701	3.54
98.84843445	3.20
100.9410248	0.56
102.7810516	2.36
104.9310608	2.60
106.9673462	2.61
108.9381409	5.49
111.0667419	2.28
112.9636841	1.26
114.6642456	0.23
118.9634399	3.22
121.0348511	5.20
122.9738007	4.79
124.958374	0.82
125.9707642	0.51
126.993515	2.58
128.7784729	13.95
129.8019867	1.73
130.9875336	1.10
133.0738373	3.85
134.9668579	2.27
136.9543762	3.44
139.0956879	1.83
141.0475006	4.48
142.0849304	1.75
145.0835724	0.59
147.0307465	4.43
148.9216461	2.33
151.0349731	65.66
151.9772949	8.35
153.081543	0.60
155.1385345	4.28
156.95755	3.90
159.0788116	0.66
161.2019348	4.15
163.1282806	4.52
165.1269073	2.37
167.0539551	4.40
168.0298004	1.60
169.1150055	1.98
171.1763458	0.46
171.867691	0.54
174.7797089	2.40
175.3862457	1.31
177.0013275	2.83
178.9571381	3.07
181.2525482	0.60
182.0951691	2.48
182.825531	0.88
184.8978577	0.34
186.0862274	1.10
189.0015564	0.78
191.1054535	3.14
193.2057037	5.11
194.0601196	0.94
195.1145935	6.29
196.935791	9.07
198.3221893	0.85
199.0573578	1.19
207.0459442	4.78
209.0596008	4.00
210.1223602	0.52
211.1462402	5.73
217.1347961	33.33
225.2002716	16.66
233.5911713	0.98
235.1899567	57.21
236.1628876	1.53
238.009079	17.56
238.7676239	0.81
239.3688202	0.48
244.1762085	3.79
251.0841522	1.93
253.0984344	100.00
254.1992645	22.92
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.153
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
190.2045135	0.08
210.9619598	0.07
218.0756683	0.14
219.1114349	0.19
245.9448853	0.13
273.1814575	0.10
274.1912231	0.38
279.316803	0.28
282.1836853	0.07
285.2612915	0.13
288.9309692	0.05
300.9863281	0.10
302.1971436	3.02
304.6381836	0.10
317.0565796	100.00
317.9783936	0.16
331.1342773	0.43
351.2995605	0.22
354.4020386	0.24
371.2856445	0.03
393.0049438	0.12
444.8243408	0.13
462.8596191	0.07
470.8925781	0.63
477.4318237	0.18
479.442749	0.08
481.0405273	0.04
506.4257202	0.21
507.4967651	0.07
510.5699463	0.08
520.4187622	0.19
534.684021	0.16
549.4419556	0.19
565.4161377	0.04
571.3008423	0.25
589.2143555	0.21
593.4017944	0.12
597.2248535	0.09
606.8469849	0.80
607.7974854	0.29
624.1459961	0.17
626.5873413	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.99711609	0.31
104.8975983	0.48
106.9729156	2.66
109.1271286	0.94
110.9656677	0.86
113.0360413	0.27
114.1078949	0.12
116.93647	1.99
118.9970016	0.31
121.0474701	2.29
123.1653976	0.17
125.0705414	0.76
128.8987274	0.73
131.0555115	0.61
133.0317078	0.44
135.0812378	4.02
137.231308	0.58
138.9615479	0.16
140.9540863	0.54
143.0012512	3.25
144.87323	1.31
146.9311829	1.42
148.934845	3.57
150.0934753	0.07
150.995697	1.54
151.9666443	0.58
152.732605	0.39
155.0569305	0.98
156.3425293	0.09
156.9992371	2.58
159.0397034	4.76
161.0714722	0.15
162.9449463	1.46
165.0640717	2.60
166.1335602	0.32
167.06604	1.03
168.4045868	0.46
169.0421448	3.75
171.0763397	0.22
172.9833221	10.25
175.0187836	1.47
176.033783	0.14
177.1834717	0.25
178.0397949	0.18
183.121109	1.42
185.0493774	0.70
187.0070038	2.45
189.0957489	0.87
191.3108368	0.34
192.1911621	0.14
193.1892242	1.50
195.1163635	0.09
196.2090607	0.07
197.2053375	1.17
199.1161194	0.16
200.2470703	0.18
201.0225372	0.67
201.8126526	0.29
202.898407	0.45
205.1273499	0.63
205.825943	0.09
207.1296082	0.16
211.132019	2.37
213.2141724	0.18
214.9650269	0.79
217.2573547	0.90
219.2616272	0.43
223.0593872	0.82
223.8106689	0.12
227.0455627	0.74
228.2837524	3.85
229.0675659	5.32
230.2632141	0.25
231.2496948	0.20
233.1136169	1.35
233.8855591	0.26
235.3323364	0.19
238.7099304	0.59
241.0582275	0.09
242.8956909	1.11
243.5283203	0.11
244.2324219	0.44
245.3179321	1.82
247.2350159	7.47
248.2400513	0.94
251.2390137	1.38
253.2755432	0.20
255.0487671	0.65
257.0366516	0.84
259.1776123	0.50
263.2510681	0.39
265.0483093	0.82
267.1669617	0.37
271.1908569	0.12
273.1690674	0.94
275.4612427	0.20
277.261261	1.14
279.3619995	0.19
281.2072754	0.36
283.2946777	1.23
285.0984497	0.18
287.2236023	1.10
295.2514038	2.98
298.0880737	0.34
299.3754883	2.60
303.3273621	0.23
305.3153076	6.76
306.0938721	0.08
307.1542969	0.18
308.7683411	0.52
311.395813	0.08
312.4621887	0.11
313.281189	1.08
314.3381958	0.18
316.914032	0.30
319.2078247	0.32
323.2453308	100.00
324.2071228	0.33
324.9156494	0.57
332.2388611	0.23
341.1806641	1.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	773.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
231.9697113	0.18
251.0671844	4.48
387.2603760	0.28
425.1130371	36.45
435.2796631	0.02
444.0267334	0.50
463.1918945	0.36
520.6561279	0.04
561.1196899	0.25
581.8417969	0.09
599.0013428	100.00
604.8545532	0.04
611.6231079	0.06
617.2520142	0.07
617.9216919	2.26
688.9430542	0.74
695.7625122	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	272.96
Annotation	Ribose-1-arsenate
Peak:m/z	Relative Intensity
115.0054092	5.55
131.0546265	0.11
133.0422668	0.04
158.9110260	100.00
198.9830627	1.81
217.0456238	0.59
219.1710510	0.13
227.1411133	0.03
228.8845825	23.27
230.1598511	0.03
245.0695190	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	6-Methylflavonol
Peak:m/z	Relative Intensity
76.86024475	0.50
79.0958252	0.40
81.00799561	2.21
82.98456573	1.65
85.02478027	0.55
90.97729492	0.26
94.95925903	3.60
96.12948608	0.21
96.94058228	1.33
98.08351135	0.34
99.01797485	0.76
102.9611816	1.15
104.5993195	0.26
107.0562134	0.88
109.0253448	4.04
111.0904694	0.39
112.852478	0.20
114.9716492	0.97
119.0005951	1.98
120.0291748	0.20
120.9494781	0.88
123.0510254	3.42
125.16008	1.14
126.8456116	0.82
128.990097	7.33
129.9095306	0.71
133.0194092	2.82
135.1278992	0.56
137.0487518	1.69
139.1585999	1.54
141.0001526	2.14
147.0558624	2.83
149.0576477	0.47
150.9859467	77.72
152.062973	1.70
152.9462128	2.08
154.0493011	1.91
154.8125153	0.84
157.0836792	0.99
158.0418549	0.20
159.2442017	0.39
161.4530182	0.76
163.0756683	1.83
165.0518341	0.80
166.0103302	0.45
167.0268555	1.89
168.0350037	0.43
169.0878143	2.02
169.9844513	0.87
171.1049957	0.20
173.1369629	0.39
175.0215149	2.94
175.997757	0.15
177.0858002	2.55
178.8202515	2.68
179.5551147	0.28
181.2290649	0.78
182.1550751	1.35
183.038681	2.65
184.9488983	0.75
189.3353424	0.93
190.1985168	0.91
191.0207672	1.87
193.0757904	2.18
194.1742096	0.99
195.1345367	2.77
197.0582123	5.93
198.0802155	0.83
201.1239319	0.42
203.0928497	1.54
205.0643158	1.12
206.7598419	2.55
207.5423126	5.55
208.2866974	0.33
209.0800323	2.99
210.2495117	0.36
210.9775848	4.07
212.0977478	0.45
212.9790649	0.52
215.1255341	0.32
217.1503143	12.39
225.1933899	7.59
226.2866058	0.48
232.5136871	2.21
233.1222076	0.15
235.1904297	41.14
235.9776154	0.58
238.067215	9.29
239.0818024	2.07
253.077652	100.00
254.1461029	17.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	667.1837
Annotation	5,2',4'-Trihydroxy-3,7,5'-trimethoxyflavone 2'-galactosyl-(1->4)-glucoside
Peak:m/z	Relative Intensity
215.1011047	0.03
231.2095337	0.07
276.8854370	0.06
286.0764465	0.81
301.0809937	35.59
381.2523193	0.08
396.9678345	0.10
427.1978149	0.07
445.1687622	0.88
463.0321045	12.80
463.6759644	0.06
476.2753296	0.14
477.2207642	0.12
503.1965942	0.05
505.1062622	100.00
505.7627563	0.11
513.1884155	0.14
514.4845581	0.17
565.4457397	0.14
585.6552124	0.11
586.2837524	0.04
620.5357056	0.12
631.3189697	0.36
649.1567383	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	312.04
Annotation	Unknow
Peak:m/z	Relative Intensity
87.7381134	0.12
102.1381531	0.11
102.8987503	0.26
113.0865250	0.36
130.9961853	0.70
132.0674744	0.35
135.0037842	2.02
136.0483398	2.69
148.9377594	100.00
149.9866638	43.18
179.0018921	28.10
180.0734558	56.48
267.6236267	0.98
268.2432251	0.63
293.9932556	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	335.1117
Annotation	Bishopantholide
Peak:m/z	Relative Intensity
102.7748260	0.04
104.9876404	0.68
113.9196777	0.08
115.1641693	0.09
117.2997665	0.03
121.8996429	0.17
123.1060944	0.09
126.9654236	0.65
129.0960083	0.38
130.9701233	0.22
132.9565735	1.04
135.1386719	0.30
141.0938416	0.35
142.0774231	0.09
143.1571045	0.06
145.0158539	3.58
145.8281250	0.12
148.9689941	0.35
150.0245972	0.09
154.0365295	0.06
155.0406189	0.34
157.0569763	0.37
159.1045837	0.58
160.8831482	0.37
163.0581818	0.13
164.0032501	0.06
165.1039429	0.15
167.0896606	0.86
169.1174011	0.71
171.0192566	2.09
173.0049896	3.14
175.2411499	0.23
177.4895935	0.05
182.9973907	0.62
185.1759338	1.61
187.0084839	0.26
189.0418243	26.57
191.1866608	0.04
195.1620483	0.77
198.8639984	0.33
201.0027008	13.86
203.1159210	0.06
204.9625549	0.18
210.8089600	0.08
213.0397949	23.36
217.0695496	0.32
223.2573547	0.06
224.0931702	0.08
225.1512146	0.04
229.1322632	0.22
231.0165405	20.20
239.0982056	0.20
245.0357361	0.06
247.3318481	0.11
249.1799927	0.28
251.3655090	0.15
257.1176758	0.52
271.1210022	0.21
272.3223877	0.30
273.2767944	0.36
275.0721741	14.97
277.1333313	0.04
279.1761475	0.18
286.1041260	0.14
289.1651917	0.23
291.0694885	3.21
291.6935730	0.03
294.0909119	0.16
296.9768066	0.15
298.7103271	0.15
299.3253784	0.20
300.4085693	0.03
304.1342163	0.04
306.8256226	0.12
311.1323853	0.03
317.0644531	100.00
317.6686096	0.28
325.7148438	0.29
334.0780334	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.16
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
201.1396637	0.15
217.1904602	0.12
229.3024902	0.07
256.9255371	0.12
258.1557617	0.35
258.9828491	0.08
268.0287476	0.20
284.1694336	0.10
286.0490723	3.75
287.4179993	0.29
299.0574646	0.12
301.0693359	100.00
301.7944336	0.68
309.6065063	0.33
313.036499	0.19
334.100647	0.19
342.4787598	0.51
363.3230591	0.16
365.0799561	0.26
381.2982788	0.14
389.3531494	0.08
397.5021973	0.36
453.2872314	0.22
455.3326416	0.22
468.331604	0.06
475.1184692	0.17
483.0808105	0.25
526.0959473	0.10
546.4997559	0.15
553.1607056	0.47
561.4716797	0.13
563.4509888	0.09
573.2069092	0.61
578.3284912	0.51
590.9563599	0.10
592.1347656	0.18
610.1175537	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.1422
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
184.2584686	0.08
184.9493408	0.11
188.9694061	0.08
202.9918213	0.16
226.5542297	0.12
248.3037109	0.15
259.1919556	0.33
287.0587158	100.00
287.6944885	0.48
289.102356	0.15
301.2580261	0.23
302.1335449	0.52
303.0178833	0.15
350.2640381	0.11
398.3044434	0.23
415.2739258	0.23
431.949585	0.13
442.7249146	0.20
461.1004639	0.04
474.1036987	0.10
493.0350952	0.14
505.2536621	0.10
508.1019287	0.09
510.2901611	0.04
515.2246704	0.09
534.6981812	0.46
537.354126	0.09
549.3622437	0.09
559.1199951	0.28
565.2912598	0.24
577.2489624	0.22
581.5014038	0.20
599.7612915	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.09
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
79.11222839	0.92
80.90677643	3.07
81.99941254	0.75
82.91278076	3.92
85.1269455	1.35
92.98716736	0.58
94.90631104	6.13
96.94924927	1.53
98.98706055	1.30
103.0187225	1.59
104.6291351	0.18
106.9540863	0.62
108.9725647	4.21
111.0075073	2.32
113.120224	1.48
115.0792389	1.38
117.0716705	1.17
118.9308167	1.70
121.1027985	2.40
123.0817719	5.82
127.121048	3.39
129.0213013	6.69
129.7979431	0.41
131.2235565	0.71
132.1924438	0.56
133.0162964	5.32
135.0605164	3.23
137.0730133	3.59
138.9507446	0.78
140.9525909	2.45
145.1190948	0.53
145.893219	0.58
146.9931793	1.61
149.2913361	0.73
150.9105072	64.61
152.016922	5.64
153.1503601	2.35
154.1547394	1.06
154.9237366	4.11
157.076828	1.91
158.9125519	0.92
160.9889374	5.97
161.9617462	0.62
163.2184906	2.75
165.1328888	2.89
167.0879822	3.84
169.175705	2.17
172.2033539	2.40
172.9962616	0.69
174.9879913	0.97
176.9756012	1.38
178.0807037	0.51
179.0446777	4.96
181.0929108	1.27
182.3877106	0.39
183.1217194	2.55
187.0982666	1.40
189.0719147	0.58
191.2854767	2.05
193.1061859	5.33
194.1177979	0.88
195.0153046	2.41
197.1399384	6.02
198.8698883	2.89
203.3674164	0.46
205.0175629	0.72
206.1374054	0.46
207.2243805	3.25
208.0270691	0.25
209.1415558	4.19
211.1743622	6.37
212.0401459	1.34
217.1195526	14.97
223.2332153	1.03
225.2223663	10.94
226.0514069	1.83
229.1750641	0.35
230.8429718	1.81
232.378952	0.28
233.8290253	0.50
235.1530609	60.46
235.929245	0.11
238.036438	5.70
239.2069855	1.00
248.9755096	0.60
251.1802979	0.63
253.0889435	100.00
254.1391602	12.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.1689
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
99.14665222	0.97
143.0039368	0.54
148.9554443	5.60
155.9267883	0.38
169.297821	2.14
170.0236053	7.01
171.1258698	1.23
179.1047363	7.17
183.0055847	100.00
183.9899597	26.88
185.0418091	1.73
197.0397034	23.31
198.1419373	10.48
209.3215332	0.84
211.0990906	1.58
211.9361572	6.58
213.1436768	0.80
225.3536377	2.39
226.1052246	0.24
227.0700989	1.03
239.1270447	5.33
240.0368958	2.39
241.1076965	2.86
242.9822388	5.18
247.2730103	9.96
248.3262329	1.80
249.1813049	3.36
251.1242676	2.24
253.1736145	1.80
255.3148804	0.54
264.9163818	1.02
267.319397	7.09
268.3937378	0.34
269.1242371	1.52
275.2519531	2.04
281.4428711	0.72
283.0223389	0.44
289.7440796	1.74
293.0350342	21.10
293.7803345	4.06
294.9769592	0.53
311.2165833	19.21
312.199646	1.92
313.2731934	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1524
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
195.9397736	0.12
203.1806641	0.24
217.2282257	0.06
225.3966217	0.17
245.2262878	0.24
246.1482849	0.42
271.2468567	0.35
272.8565979	0.18
289.3448486	0.19
302.1350098	3.40
312.5597534	0.46
313.8626709	0.16
317.0648499	100.00
317.6681519	0.16
323.4006348	0.39
348.1843262	0.12
351.1165161	0.14
352.6481934	0.24
357.8842773	0.13
379.8989868	1.22
388.4413452	0.13
393.3549805	0.16
401.3946533	0.17
407.3395996	0.09
420.862915	0.23
443.2670288	0.10
451.0925903	0.10
453.0557251	0.19
463.5953979	0.34
481.3334961	0.31
503.2286987	0.25
509.0996704	0.34
550.6585693	0.19
551.3948364	0.21
552.2401733	0.34
560.7907104	0.11
580.5702515	0.47
589.5574341	0.16
593.3289795	0.10
597.0823364	0.09
607.4729614	1.63
608.4017334	0.20
610.4945679	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	291.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
84.0085678	7.84
85.9533157	0.23
107.9519653	0.04
108.9933167	0.31
110.0780563	0.04
110.6845551	0.04
119.2024841	0.03
121.0370865	0.19
122.9587708	1.63
126.7400513	0.03
132.0491028	100.00
133.1580505	0.07
136.0191956	0.05
138.8996582	1.53
147.0721741	1.14
147.9147644	0.03
151.0251770	1.46
152.1425171	0.03
152.8350220	0.12
159.1175232	0.10
162.1433105	0.04
163.1485901	0.02
165.0339966	0.83
166.1418610	0.07
170.8622742	0.08
174.1472931	0.04
175.0500793	0.13
178.1426392	1.36
178.9787292	0.06
181.1865845	0.10
182.1699524	0.12
189.0583191	0.04
190.8199310	0.03
193.0055237	0.11
197.4096069	0.10
198.1686401	1.18
199.9274902	0.30
200.6261902	0.45
203.1480713	0.08
205.2631531	0.12
215.2382812	0.53
218.1839294	0.05
219.5514221	0.04
222.1409607	0.09
229.0751953	0.20
231.0549622	0.15
233.2142029	0.09
234.6808777	0.08
235.3603821	0.16
238.3414307	0.08
239.9272156	0.05
241.2493286	0.13
243.1871338	2.03
245.3119202	0.98
246.1373291	3.94
246.9117432	0.21
248.1428833	0.09
249.4251709	0.27
251.2633667	0.05
254.1785278	0.05
255.1189880	0.23
255.8157654	0.35
261.8743286	0.19
262.9407654	0.20
273.0831909	2.89
274.0340576	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	655.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
191.2389832	0.27
192.0779266	0.22
193.0569458	1.05
197.0319672	0.19
199.0856934	0.07
201.1855774	0.08
202.2957458	0.07
203.0868988	0.18
205.0478973	0.30
206.8924561	0.15
209.8990784	0.34
212.1393433	0.07
217.1397400	0.07
218.0688477	0.07
219.2202148	0.11
224.2459717	0.09
226.0526276	0.10
227.0980377	0.49
229.2498474	0.21
231.1681976	0.38
235.1371765	0.61
239.3317719	0.38
240.1483765	0.16
242.9829407	0.17
244.0488586	0.08
245.2211609	0.11
246.0740204	0.24
247.2672577	0.09
248.9686890	0.29
250.2199097	0.10
255.1374207	0.07
257.0479431	0.12
259.4406128	0.15
260.5077820	0.24
261.2182007	2.02
263.4090576	0.12
265.1975098	2.51
266.2401123	0.10
268.2085571	0.44
270.1358032	0.33
271.2774963	0.37
272.1506348	0.10
273.1772461	0.67
275.0110779	0.15
281.6016846	0.13
282.4701843	0.23
283.1267090	0.03
284.9819336	0.25
287.1472473	0.26
288.1533203	1.06
289.1287231	0.13
295.2218018	0.36
297.7279358	0.38
299.1692200	7.32
301.3647461	0.26
303.1774902	6.90
305.0380554	0.09
307.1734619	4.00
310.9230652	0.60
312.3488770	0.19
314.1246338	19.36
315.1845093	0.38
319.0625610	0.20
323.2078247	0.07
325.3402710	0.86
329.1358643	100.00
330.2227783	0.16
331.2403564	0.33
333.2981873	0.47
334.9724731	0.10
337.2216187	0.31
345.1865845	0.44
346.1012573	2.48
347.2511597	15.10
355.2239990	2.99
356.6370850	0.08
357.4255371	0.08
369.1592407	0.34
370.8240356	0.11
375.5161743	0.06
383.1840210	0.05
384.7616577	0.07
389.1799927	0.99
405.4933472	0.19
415.1770020	0.23
422.2316895	0.17
423.3937988	0.10
431.3092651	0.52
444.9616089	0.15
447.5366821	0.60
449.3332520	0.72
455.3109741	0.05
456.8196411	0.16
457.4337769	0.10
465.2598267	0.70
475.2318115	47.01
478.2610474	0.10
486.9584961	0.11
491.2219849	0.88
493.3286743	0.35
501.2363892	36.40
505.3040771	0.31
509.2606201	13.82
519.3416748	0.22
529.1712646	0.49
533.1021729	0.37
551.3273926	0.09
555.5214233	0.14
567.2548218	0.19
569.0357666	0.26
577.4556274	0.16
595.3546143	0.05
611.2376099	2.15
612.5903931	0.21
618.8026733	0.48
622.1199951	0.28
622.9779663	0.59
627.6715698	0.11
637.2081299	3.87
640.3263550	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	516.8974
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9705505	0.16
175.0415955	0.51
198.9515839	0.06
215.0415649	0.13
229.0363159	0.13
244.9444580	0.27
272.9674072	5.76
288.9912415	10.35
305.0928955	0.07
386.8787842	0.38
401.1824341	0.04
402.9203491	100.00
414.8998413	0.11
417.7775269	0.05
427.9411011	0.03
429.0620728	0.02
442.9181519	0.20
470.5729370	0.02
471.2709961	0.02
499.0934448	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	438.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
123.1813965	0.09
126.7804489	0.05
135.0261993	1.03
138.9938507	2.03
149.9513092	0.33
151.0254974	3.23
162.8355255	0.44
166.8615875	0.03
179.0649414	1.45
180.9506073	0.03
229.0906372	0.09
243.3598633	0.09
247.1726990	0.03
254.1866455	0.09
259.2003784	0.20
261.1377258	1.69
263.0648193	0.02
270.0058899	0.19
271.0520325	16.16
283.9960327	0.04
286.2481079	0.05
288.9956360	100.00
289.6004639	0.40
299.1669922	0.02
304.2982178	0.01
314.9695129	0.14
317.0031128	0.68
347.9628906	0.07
348.6043091	0.02
356.3806763	0.03
364.3465576	0.01
384.4049377	0.07
396.9595642	0.02
402.7858887	0.07
420.0989685	0.16
421.4942932	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	163.06
Annotation	Diethyl dicarbonate
Peak:m/z	Relative Intensity
60.9347610	0.39
68.8291321	0.26
72.6396103	0.68
77.1755524	0.29
80.8998718	0.32
83.0143967	0.28
84.9313202	5.06
87.0680695	0.61
89.0044556	3.32
91.0087738	4.03
92.9442596	0.67
95.3624420	0.56
96.9230804	2.96
98.8949432	2.78
100.9637756	2.41
102.7642517	1.64
104.9507446	1.52
105.7336578	0.20
106.9774323	11.97
114.9689941	3.03
116.9544067	100.00
119.1269379	0.32
121.0122986	1.22
121.9248962	6.38
122.8438110	0.45
126.9811096	7.71
130.9896240	0.18
134.9076691	20.29
139.9535370	0.24
142.3394012	0.35
143.0269318	0.10
144.9543457	48.04
146.2587128	0.12
154.0204468	1.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
232.0594482	0.59
246.174408	0.13
255.2077026	0.11
274.0341797	1.07
274.9450684	0.67
285.1376648	0.19
302.1121216	4.23
303.1891479	4.04
317.0574341	93.85
318.1615601	100.00
343.3398438	0.18
381.1122437	0.31
434.4152222	0.27
463.2173462	0.08
464.1315918	0.10
471.0957031	0.74
490.4778442	0.37
494.4035645	0.16
505.9657593	0.65
532.307251	0.13
567.1345825	0.26
582.4753418	0.67
584.8052979	0.87
590.1940308	0.09
608.2338867	0.26
616.9276123	0.15
626.2776489	0.36
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
127.1393433	0.33
143.9627686	0.33
144.828064	0.68
157.0648804	0.83
159.1206055	0.25
169.2745972	2.00
171.0420685	4.72
177.0800781	1.63
183.0692749	1.32
185.1392212	2.00
186.9642334	1.30
199.0620117	1.74
201.1347046	3.59
211.4135895	1.83
213.2167053	1.37
215.1746521	4.02
217.3547974	0.49
224.9804077	0.21
225.7307739	0.19
227.1826172	1.09
229.1263428	5.02
231.2285461	1.29
239.2664185	0.78
241.2523193	1.75
243.1992798	5.87
245.2797852	2.42
253.241333	0.81
255.3526611	4.52
257.1705322	4.34
259.5763245	0.61
261.9414673	1.16
263.3060303	4.16
266.9004517	0.57
269.1990356	2.24
271.2852783	4.09
273.1854858	2.67
276.9645691	0.61
283.2313232	1.00
285.2378845	4.72
287.3244629	0.48
295.2809753	2.37
297.1167603	7.32
299.295929	9.48
301.3632812	1.69
311.0941162	2.47
313.2431335	0.74
315.3965454	3.94
320.7282104	0.85
321.3907471	3.64
323.4501953	5.56
327.6756287	0.29
329.6087952	0.63
339.2578735	100.00
341.3322449	25.19
342.3771057	0.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	243.0388
Annotation	CGP 52608
Peak:m/z	Relative Intensity
78.8275299	8.69
80.9758453	0.07
96.8395691	100.00
97.6607361	0.15
122.9402771	0.05
127.0712891	0.12
127.9450684	0.09
144.9805145	26.29
152.9820251	0.33
170.8988495	0.03
183.0409698	0.65
198.9851837	0.03
201.1036682	0.03
206.9788513	0.35
225.0807800	10.56
226.0355377	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	789.1758
Annotation	9-Hydroxy-4-methoxypsoralen 9-glucoside
Peak:m/z	Relative Intensity
231.0847626	0.03
232.0574036	0.19
244.0857239	0.11
250.1385345	0.08
256.2413940	0.09
257.0513306	0.10
258.8371277	0.28
259.9458618	0.15
270.3399963	0.04
273.9022827	0.17
275.4333801	0.05
277.0217285	0.06
277.8038330	0.19
282.0743408	0.09
283.9572144	0.08
285.1188965	0.09
286.0860901	0.70
291.1203003	0.56
298.2119751	0.18
300.0693665	0.26
302.0058289	0.33
303.0671387	0.51
304.0297241	0.29
310.0945435	0.62
314.2915039	0.12
315.8609009	0.02
317.0906677	0.06
318.1389160	0.09
318.8474426	0.09
322.2503967	0.02
326.3193359	0.20
328.0875549	0.06
332.0802002	0.13
333.0704041	0.19
334.0151978	0.17
338.1649780	0.30
340.0489197	0.26
344.1406250	0.08
346.1104736	0.08
348.1347046	0.06
352.9783936	0.06
356.1293030	0.31
360.0975342	0.04
361.9081421	0.17
364.3449707	0.04
367.5094604	0.09
368.2617798	0.03
374.0851440	0.15
376.0747681	16.30
377.1038208	0.44
378.1240845	0.78
379.2496948	0.12
386.0668335	1.03
389.2370605	0.03
391.0532227	0.02
392.2602539	0.07
404.0563965	12.53
404.6680298	0.02
419.2883301	0.04
421.1757812	3.19
422.0977173	100.00
423.0676270	0.40
424.0369873	0.45
434.2936401	0.03
436.1667480	0.05
447.2472534	0.10
464.0745239	0.70
465.2339478	0.51
466.2058105	0.05
472.0855713	0.07
480.8925171	0.16
482.1510010	0.15
492.8792725	0.03
495.7069702	0.06
507.0455322	0.11
535.2720337	0.11
542.1284180	0.09
548.9268799	0.04
581.7517700	0.16
582.8170776	1.15
583.9683228	2.60
602.3450317	0.05
606.2666626	0.09
607.6478271	0.10
609.0548706	0.48
626.9349976	37.98
627.6613159	0.09
628.2667236	0.07
638.8575439	0.02
640.4021606	0.04
651.3756714	0.15
656.3747559	0.15
668.9168091	0.35
735.1704102	0.05
770.5159302	0.14
771.2142944	0.63
779.3895264	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
229.1765137	0.12
246.1935272	0.32
252.0453033	0.07
280.124115	0.13
287.1160889	0.28
297.4481812	0.05
301.0805969	0.10
303.0562134	100.00
303.8543701	0.80
311.1726685	0.07
313.196106	0.36
315.2653198	0.10
327.0424194	0.19
335.2334595	0.10
340.3252563	0.12
355.3091431	0.05
356.0963745	0.03
367.0983276	0.04
384.871582	0.06
425.2699585	0.06
447.4002686	0.19
449.3522339	0.34
476.9823608	0.37
503.3543701	0.10
520.5181274	0.04
530.4074707	0.13
556.9584961	0.08
571.7775879	0.21
574.9522095	0.06
593.1657104	0.21
593.8486938	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	265.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
108.8099060	0.05
111.2541504	0.01
145.0490112	0.03
174.9269562	0.02
192.2220612	0.01
204.8857269	0.11
218.9366455	0.10
220.8713379	0.07
222.0389099	0.02
223.8904877	100.00
224.8775024	0.08
231.7023468	0.01
235.0532684	0.01
241.8179169	13.76
243.0208893	0.02
244.0528412	0.05
247.0354614	0.02
264.8050842	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	591.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
179.0539703	1.92
187.0800781	0.08
205.1243591	0.58
217.1495209	0.16
235.1840210	1.36
248.0508728	0.04
277.0535889	0.42
283.0961914	0.07
295.0440063	100.00
305.0032959	0.03
352.8933716	0.05
473.1500854	0.03
475.3716431	0.05
493.3126831	0.02
499.0972290	0.02
545.2344360	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
75.15196228	0.76
80.07092285	0.29
92.87257385	0.22
110.9002838	0.47
123.1099396	0.24
138.068161	0.53
142.9780731	0.45
146.1109161	0.19
149.0073395	0.48
160.9629974	1.77
163.1591187	0.39
165.1664276	0.18
168.8162079	0.38
171.3064117	0.22
175.5449219	0.18
176.8759003	0.24
178.3620911	0.22
179.093338	2.28
180.0604095	0.28
181.1080017	1.06
183.1920319	0.28
189.1583252	0.23
191.2562103	0.72
193.360321	0.24
195.0127563	0.83
207.1550903	5.06
208.1227875	2.73
209.3261108	1.04
213.0415649	0.46
214.8249969	0.13
221.1968842	0.19
222.0832672	1.99
223.146347	2.21
224.0486603	0.47
233.0023041	4.19
235.0924683	0.12
251.0757599	100.00
252.1132812	14.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	449.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
131.2184143	0.13
150.9514923	0.11
161.0265808	0.09
178.8568115	0.20
205.0671692	0.08
243.2051086	0.04
249.1242981	3.53
259.4326782	0.07
268.8440247	0.28
283.1261597	100.00
285.4376526	0.05
286.1107788	0.07
287.2703247	0.30
302.3330994	0.27
305.2607727	0.21
325.1157227	0.33
333.2277832	0.07
350.2127075	0.32
353.2149658	0.16
365.2285461	0.20
375.4750977	0.06
377.4491882	0.24
378.1585388	0.19
389.2794495	0.21
403.0373840	0.29
405.1986694	0.36
406.2173157	0.06
407.9136658	0.04
408.7628784	0.43
413.1804504	0.23
419.1800537	0.30
431.1187134	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.2542
Annotation	CHEBI:79290
Peak:m/z	Relative Intensity
114.9657593	0.15
127.0903625	0.26
131.9898987	0.46
147.0020142	0.17
151.0605774	0.32
152.9616699	1.41
179.2126312	0.18
186.2771454	0.28
194.6593323	0.13
199.1249084	0.26
201.2837219	0.83
202.9350281	0.51
211.2307739	1.43
213.3842163	0.50
220.0603333	0.40
221.0996399	0.75
229.0509338	0.16
231.1476135	0.17
235.3954163	0.77
237.1162109	0.26
241.167572	1.26
243.112793	0.31
253.2627258	100.00
254.1521301	0.19
255.3552246	1.12
269.1127625	2.31
269.995636	1.23
271.1306152	1.11
277.3861694	0.19
279.1397705	1.03
285.0389404	0.23
287.3581848	0.21
297.2494812	64.63
298.0980225	0.16
299.2394104	0.39
300.0125122	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
90.89442444	0.58
95.05857849	0.93
97.13923645	0.83
99.05664062	0.56
100.8319092	0.27
104.9204788	0.46
106.822113	0.31
109.0339813	0.79
110.9957047	0.59
112.7360687	0.64
115.0003738	0.14
116.8828278	0.33
120.0138397	0.53
121.163559	0.24
123.1274261	0.66
124.8657379	0.36
126.9790497	0.76
129.0527649	1.44
131.0010071	0.19
132.9608765	0.47
135.1322632	0.24
138.869339	2.87
141.2064362	0.80
143.1826477	0.42
147.1277924	0.53
149.1186981	0.70
151.0522919	1.41
153.0200195	2.90
154.8425903	0.59
157.0152893	0.22
159.0783691	0.14
163.0533447	0.50
164.7982025	0.13
167.2672882	1.40
168.8804932	2.11
170.86203	0.54
173.1138611	0.15
174.8227386	0.12
177.1140747	1.32
181.0867157	1.30
182.9103699	0.86
184.2634888	0.54
185.0973511	1.58
189.2760315	0.25
190.7720337	1.91
193.0089722	1.23
195.1539612	3.66
197.0871277	1.93
199.1372223	1.42
200.953949	0.16
203.36026	0.41
207.1471558	0.59
209.2170715	0.89
211.0641479	1.84
213.1439209	0.71
215.039856	0.37
216.0845642	0.14
219.2736511	0.38
221.0815125	0.26
223.1824036	2.26
225.0520935	1.32
226.0824585	0.35
227.0479736	1.42
229.299469	0.90
233.1652832	0.96
235.1930847	2.31
236.0630188	0.29
237.2180481	1.27
239.0668945	1.73
241.1255188	2.40
243.1113281	0.26
244.9623413	0.20
247.0447388	1.52
249.2957764	1.31
251.1506958	2.42
253.1594543	3.37
255.1226196	0.30
257.0850525	1.53
265.4375	0.67
266.261261	1.18
267.312439	2.33
269.2186279	2.48
269.942688	0.24
275.269104	15.08
276.7318115	0.54
279.6367798	0.34
281.2445374	0.17
283.2892456	3.04
284.2590942	0.21
291.4741821	1.00
293.2124329	100.00
294.5231323	0.27
296.3940735	0.65
301.3735352	0.13
302.2602844	0.93
306.2113953	0.19
310.3416138	0.77
310.9983521	1.23
312.0301208	1.42
315.7019653	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	362.1223
Annotation	Bezafibrate
Peak:m/z	Relative Intensity
128.9960022	0.12
129.8509827	0.14
157.0206909	0.04
161.3079224	0.17
169.131073	0.09
173.8749237	0.05
175.1332092	0.04
175.8000031	0.05
182.2603302	0.21
185.9839325	0.06
197.1626892	0.05
200.3486023	0.15
207.9977112	0.05
211.2351532	0.07
217.9692383	0.08
220.035553	0.18
222.0475769	0.06
223.244751	0.05
231.040802	0.12
231.9809875	0.05
233.8820801	0.05
235.1119385	0.42
253.0506287	30.11
260.233429	0.11
268.0969849	0.07
268.9803772	0.04
270.0849609	5.11
270.9632568	0.26
277.3595581	0.06
278.8790894	0.16
281.1362305	6.94
282.3096313	0.13
285.8985596	0.13
294.1109009	0.06
295.9444275	0.03
298.0632935	7.31
299.0169067	27.48
299.8954163	0.19
303.0265198	0.13
308.2190552	0.12
309.181366	0.17
316.1026611	100.00
317.0574341	0.14
318.0921326	0.13
318.7204895	0.17
320.9545898	0.35
326.1173706	2.42
327.2638855	0.39
331.1069336	0.74
341.4137878	0.11
344.0351868	24.51
345.1350403	12.97
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
201.1841736	0.03
210.7545929	0.02
217.0860596	0.03
218.1527405	0.02
228.0111084	0.13
228.862854	0.03
231.350235	0.03
244.9928894	0.06
269.3193665	0.04
273.5336304	0.18
274.1725159	0.31
285.155426	0.15
301.1164551	0.14
302.1882324	3.44
312.9230347	0.07
317.0753174	100.00
317.7244568	0.51
356.4941406	0.04
368.982666	0.03
381.5211792	0.04
443.1098022	0.09
445.2167358	0.12
460.9852295	0.05
463.1895142	0.11
479.1550903	0.13
507.9550171	0.06
529.1657104	0.07
537.3518677	0.09
588.2035522	0.03
589.9240723	0.06
591.4970093	0.10
606.6224976	0.22
607.2887573	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2416
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
84.97518158	0.05
87.30126953	0.14
90.91622925	0.23
92.91783142	0.28
94.83049011	1.47
96.94699097	0.96
97.99710083	0.05
98.920578	0.49
102.8746109	0.29
105.1205368	0.14
106.952858	0.32
108.9962921	2.90
110.9704285	0.38
113.0633087	0.16
115.005722	0.10
117.067337	0.23
118.7814102	0.14
120.9771271	1.53
122.9825134	1.59
123.8464127	0.12
124.9325867	0.89
126.6959763	0.40
128.902832	0.16
130.9707336	0.50
133.0995941	1.05
134.263443	0.10
135.0801697	0.54
136.9804993	0.98
137.7518158	0.21
138.9688873	2.94
140.7727661	0.14
145.1116638	0.06
146.9211426	0.49
148.5099792	0.10
149.131073	0.49
150.9807281	1.73
153.0769653	3.19
155.0624084	0.16
157.0576019	0.39
161.1401215	0.49
163.1000519	0.48
165.1739349	1.52
166.9877319	0.18
169.1029968	1.49
171.1021576	1.83
173.2204285	0.32
174.996048	1.02
176.4277344	0.12
177.1194458	0.75
179.120575	0.25
181.0281525	0.82
182.4924622	0.48
183.1310425	2.87
185.166153	0.40
187.3192749	0.15
189.1784668	0.34
191.1390839	0.09
193.227356	1.22
195.2120361	1.19
197.1543274	3.08
199.084259	1.21
201.2514954	0.78
203.1237793	2.10
205.0101318	0.20
207.1068726	0.88
209.1057434	0.48
211.2131348	1.71
213.2196045	1.08
213.9544067	0.13
215.0570679	0.55
216.9813538	0.05
219.1928101	0.53
220.3170471	0.18
221.081604	2.81
223.2061768	0.56
225.133728	2.40
227.1365967	1.35
228.1562195	0.13
229.0212097	0.15
233.197876	2.96
234.9826965	0.14
237.2376709	4.98
239.2009888	10.44
241.2737732	0.72
243.1572571	2.19
247.3778992	0.05
249.3551025	0.18
251.2099609	4.22
253.1946106	0.77
254.1650696	0.23
255.1470032	1.31
256.0355835	0.27
257.0002441	0.89
260.0155945	0.14
261.239624	4.53
263.4081421	0.10
269.0651245	0.45
269.7842407	0.14
279.2292175	100.00
280.2288513	0.38
281.090332	1.17
283.026123	0.54
288.1796875	1.22
296.9589844	0.81
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	461.166
Annotation	Phenylethyl O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
137.0190430	0.10
142.8387756	0.07
148.9517822	1.08
161.0923767	0.22
190.9297180	0.30
218.7034912	0.11
220.9463501	0.36
238.6809692	0.05
256.9759216	0.07
283.0097351	0.03
293.0469666	0.39
299.1651611	0.10
311.1135864	1.55
314.9403381	0.08
366.8593140	0.04
401.3588562	0.04
415.1363220	100.00
415.7653503	0.38
417.5702515	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	425.1661
Annotation	3-Methyl-3-butenyl apiosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
130.9665070	0.02
144.0317383	0.07
149.3078918	0.03
180.8932800	0.05
190.9569397	0.03
201.0014954	0.06
215.1266327	0.15
245.1092834	0.10
246.2355652	0.09
250.8310547	0.12
261.2033997	0.14
262.3772888	0.05
263.2031555	0.06
292.1411743	0.05
293.2025757	0.03
311.3612976	0.07
328.3365479	0.21
334.3726501	0.07
346.5899658	0.08
351.2527771	0.02
357.4005737	0.04
364.2500610	0.02
379.1940918	100.00
398.9671326	0.03
407.2073669	0.16
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
76.91195679	0.57
78.95472717	0.18
81.29998779	0.52
82.79164124	0.83
90.95706177	0.81
92.99638367	1.03
94.42796326	1.15
95.13226318	1.51
96.86782837	1.69
99.20780945	0.90
101.1493225	0.43
102.9451752	1.78
104.8768463	0.31
106.9792175	0.77
109.0088043	1.46
110.9300842	0.45
119.1299438	0.51
121.0729218	0.88
123.078186	2.07
126.9772339	1.11
128.9313049	5.39
130.0571442	0.18
133.03685	1.81
134.1665039	0.12
135.0753021	2.30
137.0332947	1.22
139.0796051	2.28
140.9414215	1.01
144.8990936	0.66
147.1107788	0.96
148.961792	1.18
150.9723511	56.64
151.9953156	9.60
154.9016724	0.92
155.9777374	0.19
156.86026	0.52
158.9520111	1.60
160.9087982	0.74
164.6802216	1.28
165.3619995	0.62
167.0782013	3.05
169.0853577	3.07
171.0081329	1.06
173.1102753	0.30
174.9082642	1.62
176.9380646	0.69
179.2129364	1.30
182.0927734	0.33
182.9608154	0.88
185.0004883	2.04
187.9665222	0.76
188.703064	0.30
189.9589233	0.83
192.0007477	0.43
193.2178497	0.39
195.2105255	1.06
197.0410614	3.60
198.0818024	0.50
199.1792603	0.87
207.0278473	3.23
210.2170563	1.89
211.1706696	3.25
215.3435822	0.27
217.1241608	5.38
221.0734253	0.29
221.6747284	0.36
225.21138	14.68
226.1855011	2.12
228.9044189	0.16
231.1964874	0.15
232.7807007	1.54
233.454834	0.42
235.2127533	32.87
236.0794525	1.18
238.0773468	5.86
239.164444	2.15
244.1523438	1.39
251.0540619	1.08
253.0859985	100.00
254.0923004	15.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
87.01234436	0.23
88.85021973	0.22
104.9494781	0.29
116.9776611	0.49
130.9582672	0.19
137.1291199	0.12
145.9913788	0.11
148.971817	0.55
163.2629547	0.07
164.9307861	0.34
167.1476898	0.60
175.1012268	0.21
176.9357147	0.12
178.9191895	1.07
179.9577942	0.97
181.0399628	0.38
183.2071686	0.33
189.0549469	0.30
191.139801	0.21
193.0063782	0.32
194.2539825	0.44
194.9708099	0.29
197.1074066	0.17
204.904068	0.82
207.1759949	5.66
208.1865387	1.91
209.1981812	1.20
221.0968475	0.98
222.0057678	1.99
222.9504852	3.62
224.1174164	0.19
233.0837555	2.04
235.267395	0.59
236.2318726	0.45
249.2261505	0.10
251.0726318	100.00
252.1362915	16.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	295.07
Annotation	Unknow
Peak:m/z	Relative Intensity
85.0031815	0.17
87.0002823	1.48
88.9067612	3.66
94.9004517	0.10
97.1263962	0.07
101.0515137	4.23
107.2089539	0.10
113.0343170	5.64
114.9963913	7.34
118.9537430	4.27
125.1513367	0.65
130.9605255	2.52
132.9332733	100.00
143.0193481	7.33
147.0854187	0.26
148.9130249	1.79
155.0818787	0.07
157.1433105	0.54
161.0071869	7.63
171.2040710	0.16
173.0860138	0.08
175.0979767	2.09
178.9488525	89.75
187.0481110	0.75
200.9614563	0.07
205.0098877	33.16
205.6545410	0.10
214.6869812	0.10
216.8924561	0.24
218.9797974	0.16
235.0313110	14.03
241.1628113	0.06
259.1707153	0.40
265.0971680	1.01
277.0020752	4.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	319.19
Annotation	Testolate
Peak:m/z	Relative Intensity
108.9829025	0.20
111.2361526	0.19
129.3329468	0.23
130.8448029	0.19
135.0453339	0.21
138.770752	0.40
154.9945526	0.07
156.9121399	0.10
159.0897064	0.39
160.6312714	0.18
165.3306885	0.15
166.8478546	0.20
169.1579132	0.19
171.1322479	0.18
175.0429688	0.47
176.1337585	0.24
177.1098175	0.27
181.2854767	0.59
185.2937622	0.11
189.1450653	0.26
195.2320557	0.13
199.2946014	0.13
203.7182617	0.15
205.286438	0.19
207.2863464	1.04
211.1358643	0.15
220.8862	0.11
222.8360291	0.41
233.2593079	0.17
235.3210754	0.22
239.4476624	0.42
241.2255249	10.95
243.5088501	0.29
246.1777954	0.56
249.3113403	0.29
255.4545593	0.36
257.1679077	18.34
258.8422241	0.83
265.3479614	0.15
273.0728149	1.59
273.8132629	0.35
275.1176147	0.90
276.1358337	0.55
283.1928406	11.67
285.1763916	1.90
299.1762085	1.64
301.1800537	100.00
301.8409424	0.18
302.6871033	0.27
303.3331299	0.20
304.4309082	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
200.1165314	0.22
217.1734924	0.15
218.3539734	0.13
238.8527679	0.10
241.9378662	0.06
245.0908203	0.06
246.1695862	0.04
255.0823364	0.04
257.0221558	0.33
273.9651794	0.65
298.5545654	0.15
302.1102295	3.33
314.1976318	0.07
317.0605469	100.00
317.6900635	0.63
321.4174805	0.17
359.2322998	0.09
362.624939	0.04
364.3528442	0.05
372.2879028	0.07
395.3109741	0.13
474.2380981	0.13
496.8740234	0.06
505.013855	0.16
571.1112671	0.09
581.1376953	0.09
593.1074829	0.09
605.9692993	0.05
607.328186	0.24
616.2987671	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	422.1577
Annotation	Javaberine A
Peak:m/z	Relative Intensity
143.9899902	0.04
147.0150604	1.97
161.9256897	0.25
171.7910156	0.03
179.1718140	0.07
190.1114197	1.30
229.4627991	0.14
230.0974579	1.10
238.1737061	0.01
242.4519043	0.12
247.1511230	0.31
256.2145081	0.05
276.0883789	14.21
291.2225952	0.14
293.1119690	100.00
318.6832275	0.15
324.1535034	0.04
329.1710815	0.11
332.1073303	0.06
347.2760010	7.25
359.2022400	0.23
375.7995911	0.02
386.1352844	0.08
392.2113953	0.03
404.1521301	1.28
405.2378540	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	402.9169
Annotation	Unknow
Peak:m/z	Relative Intensity
130.7621613	0.02
146.9866943	0.08
158.8189087	0.05
175.0097046	0.84
229.2770081	0.03
244.9370422	0.39
269.1894226	0.02
273.0362244	3.07
287.3624268	0.02
288.9309082	100.00
290.1351929	0.01
313.2653809	0.03
328.9641724	0.08
330.9675598	0.03
337.9984131	0.08
340.8181458	0.06
347.0562744	0.07
349.1184998	0.05
355.9912720	0.02
356.9867249	0.08
358.8735046	0.05
372.1306763	0.04
375.0395203	0.02
379.3561096	0.03
384.9670105	0.01
392.5971680	0.01
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
92.92855835	0.10
98.95878601	0.17
122.9715424	0.02
124.9282684	0.15
134.9812775	0.07
145.8686371	0.09
154.7764282	0.04
158.91922	0.02
162.0006714	0.07
167.1936951	0.05
172.5896759	0.04
173.4854279	0.06
176.9310608	0.06
181.1079865	0.05
187.2133789	0.03
188.9018402	0.04
196.3687897	0.03
196.9710541	0.02
199.0887756	0.18
203.1119537	0.10
204.7848511	0.07
215.1230011	0.14
217.1299896	0.08
219.2247009	0.04
225.0968323	0.16
226.96492	0.04
231.2116699	0.16
233.0264282	0.04
243.1374969	100.00
243.9392853	0.05
245.2076263	2.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	474.26
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
196.0817261	0.42
214.0159760	1.04
221.8095398	0.08
233.4290314	0.76
275.1977539	0.36
277.1908569	100.00
277.8428955	0.30
291.0459595	0.05
364.4239502	0.08
384.4725952	0.13
410.2625122	0.11
413.1929321	0.11
428.2228699	0.14
429.4231873	0.14
430.1564331	0.15
431.4352112	0.22
456.3691711	0.18
457.4713745	0.26
458.5130005	0.20
460.4040833	0.05
473.9619446	0.16
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
107.0684738	0.04
113.0744324	0.33
118.9660568	0.05
123.0227203	0.06
132.0066223	0.25
134.0652466	4.19
149.0185242	1.23
156.8828125	0.04
159.9921875	4.66
160.9785767	0.13
162.5952759	0.06
173.2120361	0.20
175.0234375	39.81
176.1036682	0.15
178.0873108	0.44
187.8842316	0.10
189.0735779	0.14
191.1473083	1.83
193.0880585	100.00
202.0663452	0.98
203.1509705	0.25
205.0082703	0.11
207.0053711	1.17
217.0182190	66.20
219.0480652	0.11
221.1491699	0.39
226.9209900	0.07
231.6421814	0.06
232.6161194	0.17
233.2586975	0.17
235.0417786	10.60
238.7653809	0.07
245.2676086	0.14
247.0409241	3.00
257.2153931	0.11
259.1315613	1.45
265.1614075	4.81
275.2510986	0.28
277.1274414	0.40
279.1526794	0.09
283.1447754	0.12
288.9601746	0.03
291.2012939	0.06
293.2196960	0.17
295.0903015	6.42
297.3365173	0.08
307.1154785	0.21
309.0839233	0.43
311.3616638	0.13
313.3060303	0.06
319.0550232	0.29
325.1439209	0.06
337.1820679	1.93
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1536
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
181.2780762	0.21
217.1294556	0.04
218.1553955	0.11
245.3977966	0.28
246.1676636	0.06
257.0215454	0.15
274.127533	0.93
285.2741089	0.13
302.0819702	2.55
307.3878174	0.06
311.4438477	0.11
313.2012329	0.05
317.0742798	100.00
318.6893921	0.06
325.0680542	0.17
335.2932129	0.16
345.4674683	0.11
369.3533936	0.08
375.184021	0.11
395.366272	0.05
453.0487671	0.17
462.1154175	0.05
463.0852661	0.60
470.4119873	0.49
494.020752	0.07
525.3057251	0.31
579.3092651	0.10
580.6499023	0.08
589.6456909	0.07
607.5443115	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.09
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
76.86056519	0.36
81.07516479	1.64
82.94043732	0.99
84.94993591	0.57
90.9306488	0.40
92.84562683	0.73
94.90245819	3.93
97.26445007	0.16
102.9280396	2.36
105.0446167	1.12
108.9203491	4.73
110.9880981	1.78
113.1287994	0.11
114.9472656	1.19
116.9460754	0.49
117.9728394	0.72
118.931839	1.14
121.0435181	2.05
122.992218	3.70
126.9119873	1.31
128.862793	3.36
130.0324554	0.51
133.006897	2.39
134.9530334	2.38
137.0258942	4.21
138.9055634	0.31
140.7882996	0.83
145.1386108	0.29
147.0518341	1.16
149.164444	0.43
151.009079	62.26
152.0334473	4.42
153.09729	0.58
154.0339813	1.68
155.0176544	1.84
156.0995941	0.25
157.1100159	4.56
157.8662415	0.37
159.1539764	1.51
160.9990234	4.45
165.1420441	1.83
166.0536957	2.09
166.9858093	0.73
168.4497528	1.03
169.1207733	3.53
169.8125916	0.81
171.2252045	0.67
173.2176819	0.52
175.1648712	1.66
176.0476837	0.54
177.0303802	1.29
178.0249481	0.16
179.1119537	5.68
181.3096771	0.92
182.4880066	0.16
183.1429443	1.39
185.0693207	2.62
186.2190704	0.26
189.0428162	1.78
190.9758606	1.23
192.0458527	0.41
193.1034241	3.44
195.1565399	3.25
197.1137543	5.27
198.6916656	0.59
199.322525	0.32
203.342865	0.78
206.9692688	9.23
208.2547455	1.31
209.2401123	0.41
211.0366669	2.64
212.0527191	0.18
217.2132416	16.42
223.4567413	1.19
224.0933228	1.16
225.2393951	13.43
226.0309906	0.31
228.934082	0.23
232.3818512	1.17
235.2080078	39.00
238.2205963	9.35
239.1228638	1.15
251.2593384	0.20
253.0825958	100.00
254.2420502	15.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
190.9857178	0.03
201.2171478	0.05
210.8786316	0.06
217.0710907	0.05
217.8331909	0.04
228.2033997	0.23
245.1307373	0.17
246.0543823	0.06
254.0079803	0.06
257.1209717	0.06
273.0136108	0.11
274.0244751	0.39
284.0871887	0.09
285.1286621	0.02
299.3768921	0.08
301.1669922	0.38
302.1560669	3.11
309.164856	0.25
317.0656128	100.00
317.7255249	0.33
357.2364502	0.02
364.9750977	0.05
371.4221802	0.03
382.4910889	0.03
395.06604	0.07
405.0988159	0.08
410.4492188	0.03
413.2201538	0.07
445.1320801	0.07
461.1615601	0.06
462.7890625	0.26
463.4498291	0.02
471.1466675	0.09
475.4702759	0.10
479.1933594	0.08
493.3213501	0.04
517.0348511	0.09
519.2710571	0.04
552.9795532	0.10
567.8761597	0.07
588.9553223	0.08
606.5321655	0.02
607.2213135	0.24
608.0020142	0.09
625.72052	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	304.99
Annotation	Unknow
Peak:m/z	Relative Intensity
114.9902191	7.94
127.1300812	0.03
133.0339661	100.00
133.7206116	0.09
137.1617279	0.03
143.0451355	0.11
149.0099182	0.40
197.2294312	0.07
200.9530334	0.08
207.0320435	0.19
214.9927979	0.07
218.9889221	0.07
229.1252136	0.03
231.3197937	0.07
243.1795044	0.20
244.9763184	5.07
260.9598083	0.13
272.9816895	0.06
287.0434265	0.83
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
98.74617004	0.19
102.9840164	0.57
106.8940277	3.50
108.9354095	1.56
110.9834366	0.58
113.0914459	0.89
114.9838791	0.18
116.9554138	2.78
119.7103195	0.12
121.010376	2.55
123.0740738	1.77
124.9461212	0.58
129.0673523	0.39
131.1112976	0.52
132.7998962	0.61
135.0947571	6.92
137.0457916	0.70
139.1273499	0.69
140.9682007	1.28
143.0025482	8.17
144.9858704	1.86
147.0867767	1.65
149.1546326	0.69
151.0690155	1.58
151.9633789	1.62
153.0522766	0.39
154.9384308	0.59
157.1174316	1.84
158.9555664	6.16
160.984314	0.75
163.052002	0.29
165.1669464	2.43
166.0422821	0.27
167.0478516	2.31
167.97789	0.40
169.0048828	4.66
169.9171295	0.36
171.0273895	0.95
173.0736694	8.23
175.0533142	1.09
176.918335	1.08
179.0656281	0.82
183.0253296	3.72
184.0797272	0.30
184.9345856	0.58
185.8218994	1.02
186.8935394	1.78
189.1059875	1.59
191.0159912	0.85
193.1560364	0.48
196.1670685	0.18
197.0478058	1.22
201.1282959	0.88
203.0923157	0.22
204.125473	0.15
205.2256012	1.94
207.1349792	0.27
209.1405334	0.74
211.1395264	4.32
214.1954956	0.55
215.0047913	1.28
217.1351013	0.28
218.1520996	0.19
219.3083801	0.54
221.0145569	0.25
223.0302734	0.52
223.8840332	0.22
225.3148804	1.39
227.7970276	3.03
229.0525513	6.25
230.200531	1.66
231.369812	0.93
232.8810425	1.55
233.5984192	0.09
234.7712708	0.22
235.6004944	0.38
237.433136	0.13
239.1351013	0.91
240.0349731	0.16
243.1881714	0.45
245.2445984	1.66
247.214325	12.29
248.2642517	0.31
249.3188782	0.34
251.1348267	2.27
253.2543945	1.15
253.9266052	0.24
255.1262817	0.36
257.3479614	1.55
259.6656494	0.12
262.1513062	0.08
265.3532104	0.17
269.3844604	1.02
270.1254272	0.44
271.3370361	0.50
273.2255249	1.10
277.3051147	1.51
279.1977539	0.20
281.4557495	1.02
283.2744141	1.65
284.0815125	0.22
287.2665405	1.34
293.6080627	0.44
295.2936401	2.67
297.2981873	1.02
299.2020264	2.41
299.979126	0.17
300.9391479	0.67
303.4963379	0.21
305.2509766	4.46
306.1924438	0.15
309.2250977	0.94
310.3649597	0.45
313.2807312	0.95
314.1208191	0.18
321.7130432	0.20
323.2434082	100.00
324.3572388	1.49
341.2490234	1.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1522
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
189.7754517	0.04
199.9447479	0.03
218.3635864	0.02
228.1631165	0.02
229.2319794	0.02
244.9781494	0.05
246.0445404	0.05
257.2512817	0.09
260.0871277	0.07
260.975708	0.08
269.2095947	0.03
271.0553589	0.08
273.0517883	0.05
274.1443176	0.54
283.6488647	0.04
285.1737976	0.05
301.0027466	0.19
302.1634521	4.56
308.8545532	0.04
313.2492065	0.02
314.3156128	0.01
317.0593262	100.00
317.7179565	0.37
336.894165	0.08
356.0203857	0.02
375.3677979	0.07
423.3451538	0.05
427.4839478	0.02
441.401123	0.05
445.0402222	0.02
457.5492554	0.02
463.2237549	0.17
471.0927734	0.05
479.3225708	0.12
510.4996948	0.03
549.7131348	0.07
557.881897	0.06
588.7372437	0.02
606.3973389	0.02
607.0521851	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	418.8945
Annotation	Unknow
Peak:m/z	Relative Intensity
149.0813446	0.02
159.0665588	0.06
174.9941711	1.72
244.9958496	0.10
253.2170410	0.04
260.7126160	0.04
263.2698975	0.07
273.0145569	0.64
273.9895020	0.38
275.0244141	0.09
276.9923401	0.03
289.0260315	27.74
291.1667786	0.05
302.9418640	0.06
304.9224548	100.00
329.2230835	0.04
329.9353027	0.04
344.9280396	0.46
346.7883301	0.12
348.0858765	0.14
372.1852722	0.02
373.0568848	0.11
374.5689392	0.03
375.2051086	0.14
389.5857849	0.04
390.6111755	0.04
399.9848022	0.12
408.9747620	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0854
Annotation	6-Methylflavonol
Peak:m/z	Relative Intensity
76.75689697	0.72
78.98427582	0.35
80.96474457	0.60
82.96264648	0.89
85.03627777	0.17
90.8603363	0.44
93.00370026	0.24
94.98223877	2.96
97.12640381	0.45
98.89949036	0.87
103.0058441	0.23
105.0117493	1.25
106.1004639	0.67
107.032608	1.13
109.0088654	0.85
110.8890839	0.99
112.8686676	0.46
114.9386902	0.75
116.9797211	0.60
118.1386719	0.29
118.9894562	0.75
120.9838257	0.44
122.9484863	2.24
126.0587311	0.31
126.8660126	1.39
128.9672241	6.72
130.056778	0.65
133.0854797	0.15
134.9870911	2.91
136.9909515	3.62
139.1346741	1.22
141.0280762	2.25
143.078125	0.54
146.200592	0.22
147.0002289	0.78
149.0809784	0.94
150.9791565	69.55
152.050766	4.04
152.9212494	1.40
154.9591675	2.22
157.1496124	1.60
158.9501495	0.85
161.0052643	1.26
165.108963	1.64
166.0006866	0.37
166.9924164	3.59
169.0661163	1.65
170.2910919	0.20
171.2261353	0.68
174.9538269	0.99
176.2131653	0.37
177.140625	1.96
179.0886993	1.06
179.9867706	0.17
181.1562958	0.28
182.1926727	1.00
183.0144653	0.17
184.1827393	0.36
185.1495514	1.78
186.170929	0.66
189.0840302	2.16
191.3144684	1.07
193.0713501	0.69
194.0202789	0.91
195.0635529	3.73
197.0719757	5.76
198.2651062	0.36
199.1761627	0.57
200.0517426	0.50
201.3213043	0.21
203.2107086	0.17
205.0196686	0.33
207.0953522	2.18
209.2216644	0.79
209.9636078	0.68
211.1170807	3.76
212.0790253	0.53
215.061676	0.38
217.1256714	11.22
219.2594299	0.45
220.9709015	0.93
223.0944061	1.02
225.2174377	19.31
226.3417358	0.35
229.0184326	0.34
231.9605713	0.10
235.0613556	28.52
235.9674683	0.21
238.0855865	6.38
239.2070923	1.46
243.6641083	0.47
244.4142456	0.86
249.1832275	0.25
251.086731	1.28
253.0783844	100.00
254.1067963	11.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
84.95783234	0.09
95.91069031	0.20
105.1763458	0.16
105.9011841	0.15
108.94104	0.14
116.946701	0.35
135.2006683	0.16
143.2502899	0.08
148.7967987	0.25
152.8723297	0.08
160.8957825	0.67
165.0785217	0.17
167.0440979	0.08
173.0171051	0.12
177.0033875	0.43
178.6956482	0.09
179.3116302	0.40
180.0634308	0.29
181.0248413	0.36
183.1214905	0.39
189.0295868	0.15
191.1004486	0.28
192.2612457	0.10
193.0486908	0.44
203.1400604	0.13
205.058136	0.67
206.1299286	0.57
207.0973511	1.77
208.2297516	3.78
209.240387	0.98
215.089035	0.11
221.2135773	0.74
222.2138977	1.61
223.0931396	3.20
224.1195068	0.77
233.1826019	1.83
235.2145233	0.11
236.2227783	0.23
251.0657959	100.00
252.0478363	14.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	367.12
Annotation	trans-3-Hydroxycotinine glucuronide
Peak:m/z	Relative Intensity
113.1239319	0.68
113.8337784	0.51
114.9299545	0.06
115.8687592	0.43
117.0089111	1.51
118.8274078	0.18
119.9036102	0.13
129.0233002	0.27
130.1896973	0.15
142.0225677	21.16
142.9859924	22.50
144.0624390	0.79
145.0625000	0.18
157.8142700	2.12
159.0291748	3.62
160.2105408	0.13
162.0498657	0.29
169.2507019	0.29
170.8024902	0.15
174.8219299	0.07
179.0402069	0.09
183.0336609	0.11
186.0079041	61.38
187.0030365	100.00
187.7372131	0.16
189.0112457	0.68
199.5016785	0.34
200.1867523	0.59
201.1562805	0.65
201.9263000	0.24
204.0738068	54.35
205.1081543	83.17
211.2891235	0.18
218.0559692	1.34
219.0039673	1.87
227.9523010	0.24
229.1560059	0.31
237.0721130	1.47
238.1418762	1.74
246.0218811	5.72
247.0444336	18.03
249.2041931	1.32
250.0581055	0.24
257.9282837	0.16
259.1260986	1.06
277.1699524	0.64
280.0989380	0.12
301.3059082	0.29
306.8705444	0.30
320.9229431	0.12
323.2734375	0.60
331.0864258	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	476.2047
Annotation	OA-6129 D
Peak:m/z	Relative Intensity
143.9221649	1.68
150.6815338	0.25
159.0131226	0.12
162.0170593	22.08
169.0354462	0.21
178.9902039	7.57
193.1569977	0.12
210.6761932	0.19
218.9577332	0.11
225.9293823	0.16
227.1612701	0.12
228.0833282	0.05
238.9853821	0.09
244.0563354	2.02
245.1401215	0.23
271.1534119	0.05
272.1994934	0.46
287.3876953	0.16
293.1682434	0.06
298.0505066	0.15
308.0960693	1.12
310.8988037	0.06
314.1380920	0.23
315.9974976	0.07
324.3817139	0.04
326.1365967	0.06
329.1769409	0.90
329.9251709	2.32
337.4346008	0.10
343.1382446	0.10
347.2096558	100.00
355.6657104	0.08
356.8865356	0.03
363.5568542	0.22
391.1503906	0.04
401.1268616	3.79
402.0909729	0.20
412.8552246	0.16
416.0542297	0.05
416.9767151	0.15
419.7705994	0.15
430.5399780	0.23
440.1637268	0.16
448.0894470	0.29
458.2535400	1.50
459.3695374	0.61
462.8385925	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.16
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
172.8010559	0.01
173.9775543	0.05
184.9343414	0.03
187.1129303	0.02
202.1331329	0.05
203.0463562	0.03
213.0843658	0.06
220.7618561	0.01
221.3750305	0.03
229.1235809	0.03
230.0957031	0.30
245.0836639	0.03
257.0908203	0.09
258.1455383	0.52
265.1955261	0.02
268.187561	0.11
269.262085	0.02
270.0091553	0.02
286.0685425	6.17
299.149292	0.01
301.0792847	100.00
301.9624634	0.03
313.4486694	0.03
319.145874	0.08
349.1832886	0.08
405.2080078	0.02
412.9544067	0.02
419.2700806	0.01
447.2942505	0.05
463.1708374	0.18
473.3648071	0.04
533.1981812	0.01
535.8204346	0.08
549.9871216	0.02
562.7800903	0.06
572.6305542	0.03
573.3858032	0.02
590.5263672	0.06
591.4763184	0.02
592.2699585	0.05
609.2923584	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	425.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
143.0035248	0.03
148.8886261	0.05
159.8831177	0.07
161.0791931	0.44
178.8282776	0.29
180.8549042	0.04
196.9011688	0.19
204.9964294	0.14
218.9385529	0.04
223.0437317	0.05
243.2931824	0.03
245.2031250	0.08
249.1446533	5.40
249.9359741	0.04
257.0822754	0.05
283.0205688	100.00
283.8436890	0.02
287.0561523	0.02
295.3235474	0.07
337.1143494	0.04
351.7998962	0.03
362.5334778	0.06
365.0413513	0.05
367.0722961	0.07
378.4028625	0.03
379.1960144	0.21
380.9896545	0.07
388.8120422	0.08
395.2566528	0.02
397.2030334	0.02
405.2355652	0.03
407.8278503	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.09
Annotation	Phenytoin
Peak:m/z	Relative Intensity
74.84615326	0.51
76.62346649	0.73
78.95635223	0.65
80.91661072	4.29
83.0586319	1.16
84.9623642	2.13
90.98478699	0.26
95.14668274	5.41
96.93218994	4.45
100.9610291	0.58
103.0119934	2.67
105.0498962	0.79
107.0181122	1.57
108.995697	3.29
111.0587921	3.39
113.0830536	0.16
115.0153503	1.70
119.0889435	1.81
121.1407623	2.32
122.9217987	5.33
124.8909302	1.71
127.0485077	1.02
127.9851074	0.57
128.9761505	4.00
131.3179016	0.98
132.9881744	1.63
135.026062	5.08
137.0556946	2.83
139.0389709	0.28
140.8686523	3.45
142.7671051	1.13
147.1715851	0.62
148.972702	0.43
150.9134064	57.00
151.9503937	6.86
153.1099396	2.64
154.9766693	6.19
155.9697418	0.58
159.1648102	1.60
161.1094666	2.85
162.923645	0.99
164.8665619	3.34
165.8903351	0.60
166.9143677	1.47
168.973526	4.50
171.0879517	0.59
172.078476	0.58
173.3405304	0.97
175.163269	1.33
177.0267181	2.55
179.090271	4.03
182.0729675	0.72
183.160965	1.06
184.9793701	2.25
189.062912	4.07
190.1797485	0.51
191.0580902	0.50
192.5869293	0.63
193.2390137	1.75
194.1004486	1.18
195.1643219	7.88
197.1679993	6.45
198.8036346	0.18
203.2039185	2.82
204.9911957	0.69
206.1657257	1.54
207.1144409	2.44
209.1925354	1.67
210.0887604	0.49
211.1041412	4.66
217.1851654	19.54
221.5197296	0.69
223.0265198	1.46
225.1798859	19.69
232.314682	0.94
233.1601715	0.67
235.0947113	49.04
238.0538483	13.85
238.9928589	2.49
243.7887421	0.97
251.0550537	1.81
253.0975952	100.00
254.1503906	19.80
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
92.82702637	0.07
97.05540466	0.03
105.0839233	0.10
112.924469	0.06
134.850769	0.15
155.0206757	0.03
177.014801	0.04
181.1128387	0.04
187.0718994	0.17
198.7703094	0.06
199.8596649	0.04
201.3571167	0.06
202.1422882	0.05
213.2936249	0.12
215.0966949	1.15
216.1373901	0.06
217.2223358	0.21
222.8093719	0.06
225.2476044	0.30
231.1199493	0.07
232.9628906	0.19
240.9490814	0.05
243.1483307	100.00
244.0336456	0.03
245.1863556	2.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	593.2082
Annotation	Zizybeoside II
Peak:m/z	Relative Intensity
179.0098572	0.03
187.0593109	0.08
221.0615845	0.10
248.1777496	0.06
262.9691162	0.05
280.9133301	0.32
303.3603516	0.02
315.3188477	0.15
322.8058472	0.13
352.6499634	0.15
353.2961426	0.05
364.9385376	0.05
382.9750977	0.86
387.4425659	0.07
389.1804199	0.04
403.3339233	0.08
409.3696899	0.11
423.1536865	0.05
428.3097534	0.25
431.0770264	0.05
440.1686401	0.04
441.1336060	1.27
443.1026001	0.08
444.7722778	0.05
453.6793213	0.04
467.1784058	0.21
473.2181396	0.02
485.4024658	0.05
487.0740967	0.04
489.2825317	0.08
501.3487549	0.06
505.9384155	0.14
510.8057251	0.08
532.8459473	0.13
547.2012329	100.00
547.8411255	0.17
549.1599121	0.07
575.2095337	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	325.09
Annotation	6-O-p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
105.0263062	0.12
115.0052872	0.05
118.9910736	7.72
119.9677582	0.09
145.0147095	0.97
162.9737244	100.00
163.5970612	0.12
176.8850403	0.07
178.9281006	0.09
183.1130829	0.18
184.1030121	0.07
186.9953766	1.15
193.1724243	0.04
197.3759460	0.06
204.9869690	0.18
211.3715210	0.07
216.9721375	0.07
219.6192627	0.32
231.0513000	0.10
233.1309204	0.07
235.2039795	0.65
237.1105042	0.34
239.0085754	0.04
252.5609741	0.06
265.0879517	0.17
279.0734863	1.02
281.1087646	0.45
282.0270386	0.14
306.8213196	0.13
307.4584351	0.14
310.1228027	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	655.183
Annotation	Unknow
Peak:m/z	Relative Intensity
196.9794006	0.02
214.0913696	0.02
242.2382050	0.06
270.2264709	0.11
271.1991882	0.02
287.0347595	0.08
298.3068848	0.02
299.1035156	0.09
303.3838196	0.08
315.1039734	0.23
316.1781006	0.16
331.1146851	78.76
331.7593384	0.14
355.0502930	0.02
367.0317993	0.03
397.0056152	0.04
456.9619141	0.02
475.3188477	0.10
493.1116333	100.00
493.7631836	0.33
506.1665649	0.04
507.1187744	0.02
562.4174805	0.06
590.3850708	0.05
636.4557495	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	637.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
183.1930542	0.04
187.0901337	0.04
189.1643524	0.04
193.1577911	0.03
196.0188751	0.03
198.2474823	0.04
199.0592651	0.22
201.2766266	0.03
204.9864044	0.04
209.9286346	0.05
211.1278992	0.12
212.0829315	0.02
213.0081177	0.13
214.9993286	0.02
221.2389984	0.03
222.3247681	0.01
224.9034119	0.04
226.0270844	0.05
227.1247864	0.61
229.0480042	0.18
230.1709900	0.07
234.8986816	0.07
237.1793213	0.02
238.0185699	0.07
239.1217651	0.90
239.9903717	0.07
241.0183716	0.56
242.1794128	0.12
243.1210785	0.47
244.0532684	0.02
246.2024994	0.03
251.2840576	0.04
252.2594299	0.01
253.0467224	0.17
254.0490417	0.29
255.1050568	3.73
256.2128601	0.03
257.0623779	0.28
258.1915588	0.08
259.0355835	0.03
261.1338806	0.05
265.1633911	0.07
266.2691040	0.01
268.9768677	0.12
270.1268921	3.37
271.1625366	0.96
272.1056213	0.17
273.1384277	0.06
273.9383240	0.02
275.3345642	0.07
280.3318481	0.03
281.0292053	0.16
282.3033752	0.18
283.1676941	0.28
284.1932678	0.19
285.1178894	2.82
286.1665649	0.40
287.1257324	0.64
293.0025635	0.11
295.1737061	0.09
297.0517578	0.44
298.2247314	1.59
299.0921021	3.58
300.2886353	0.05
301.2136841	0.29
303.2363892	0.07
305.2336426	0.26
307.2200317	0.33
310.1188354	0.07
311.2155762	0.06
313.0750122	3.22
314.1508179	9.58
315.2517700	0.06
316.2522583	0.03
317.1860046	0.05
319.1668701	0.05
324.3689575	0.02
326.9771423	0.21
329.0655212	100.00
330.1609497	0.13
331.1829834	0.23
333.3771362	0.01
339.0831909	0.12
341.1921387	0.22
343.2179565	1.13
350.1502075	0.03
353.1898193	0.07
354.8432617	0.02
359.3972778	0.02
368.0314331	0.04
369.3027954	0.04
371.2523804	0.69
383.1782227	0.44
389.3414307	0.04
391.3972168	0.01
395.2244873	0.04
401.1803589	0.49
411.1013794	0.05
420.4760132	0.01
431.1748657	0.04
441.1537476	0.02
442.2832642	0.03
449.3473511	0.02
453.3094482	0.01
458.8041382	0.02
465.9000244	0.02
469.4323730	0.02
470.9691162	0.02
473.3717651	0.13
475.3102417	0.06
483.2107544	0.02
487.2689209	0.05
491.1189575	1.46
491.7299194	0.04
496.7346802	0.03
499.1848755	0.10
507.4569092	0.07
511.2431030	0.08
550.9846802	0.01
569.2688599	0.30
576.2687988	0.02
578.0248413	0.02
581.4052124	0.03
591.4185181	0.02
593.0559082	0.04
595.0581665	0.02
601.1553345	0.04
605.2816772	0.14
606.1978149	0.04
609.3896484	0.01
619.1012573	0.33
619.7196045	0.07
622.3959351	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.04
Annotation	Caftaric acid
Peak:m/z	Relative Intensity
102.9614487	0.63
113.0006027	0.53
131.0237732	0.30
135.0449524	2.47
148.9439697	100.00
178.9773102	55.40
220.8247070	0.04
267.0153809	0.69
293.0428162	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
190.0597229	0.05
191.2910767	0.02
196.6491852	0.01
203.2140808	0.07
216.8773499	0.02
217.8626556	0.05
219.9700623	0.05
231.1366119	0.03
255.9170532	0.05
257.1925659	0.10
263.3230591	0.02
273.5058899	0.35
274.1833801	0.41
301.1073608	0.31
302.0670776	3.32
312.8476562	0.06
317.0640259	100.00
317.6855469	0.40
319.4677429	0.06
341.3288574	0.06
391.5383301	0.11
439.0516968	0.03
459.2700195	0.02
463.086792	0.07
471.0222168	0.17
479.2207642	0.06
518.3945923	0.10
534.8057251	0.07
535.6234741	0.17
569.0193481	0.02
570.7272949	0.10
589.4589844	0.04
593.4547729	0.02
606.159668	0.07
607.234436	0.23
615.6387329	0.14
625.7835083	0.05
626.9017944	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
92.9650345	2.73
113.0619125	0.12
119.0247574	0.82
136.9450378	100.00
137.6820068	0.04
145.1767578	0.09
161.1786804	0.27
162.9942932	0.03
166.9818420	0.16
169.0449066	0.05
177.0648956	0.05
179.2760010	0.24
194.0623169	0.10
195.1319275	0.04
203.0513306	0.42
209.2443237	0.05
210.9243164	0.08
218.9531250	0.05
222.9122009	0.22
226.7931519	0.07
228.9375305	0.06
237.0281067	0.16
239.0372925	0.19
251.1337280	0.14
253.1127319	0.32
254.3529053	0.10
255.2383118	0.16
256.2088928	0.04
268.9712830	0.03
271.3523865	0.25
281.1555786	0.36
282.5774231	0.20
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
85.13859558	0.16
91.08904266	0.26
93.93325806	0.16
95.05053711	0.92
97.063797	1.25
98.97698975	0.64
101.0550079	0.26
105.0206604	0.34
106.9458618	0.48
109.0742722	3.16
110.9951324	0.51
112.9262314	0.63
113.7331467	0.04
115.102356	0.81
119.0518875	0.20
120.9505463	1.65
123.0619431	1.85
124.8330917	0.98
126.8779755	0.79
129.1380005	0.68
130.9775238	0.26
133.0488434	0.89
135.1182251	0.70
137.0396423	0.86
139.0136108	4.25
141.0218506	0.99
142.8457947	0.37
144.0551605	0.23
145.09729	0.18
147.0643921	1.13
149.0083923	0.43
151.1871643	1.24
153.0309143	2.44
155.0602417	0.97
156.8951111	0.20
158.9757538	0.46
163.1519775	0.65
164.1681366	0.24
165.0838318	1.06
166.9926758	0.66
169.2017059	1.41
170.9716797	0.83
173.2460327	0.37
175.0808258	1.15
177.1109619	0.15
179.1452789	1.00
181.0793762	0.55
182.9684143	0.98
185.0722961	0.74
187.2227936	0.13
189.2484436	1.63
190.9946594	0.32
193.0651855	1.19
195.0395203	1.00
197.123764	4.89
199.1641235	0.55
203.2160034	2.00
205.2706604	0.06
207.3310547	0.76
209.125824	1.11
211.1333618	0.60
213.2088928	0.48
215.2643127	0.15
217.2488708	0.29
219.0285339	1.44
221.1790771	4.80
223.234436	0.73
223.9819336	0.07
225.0992126	1.43
227.1593323	1.04
232.8198547	0.19
233.4293823	1.51
235.3039551	0.53
237.257019	10.27
239.0752869	8.40
241.018219	0.39
243.2436523	0.88
247.1198425	0.47
251.1799622	0.74
253.0064087	0.72
254.1256104	0.12
255.2213745	1.44
257.1548462	0.45
261.2425537	3.44
263.3640137	0.18
269.2744446	0.66
279.2415161	100.00
280.1434326	0.42
281.1562195	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
195.143158	0.15
205.9142151	0.03
217.2884216	0.05
217.9205627	0.02
228.1198425	0.04
245.363678	0.25
246.3805389	0.02
256.0977173	0.02
272.9068909	0.06
274.114563	0.30
285.0303955	0.08
287.3103333	0.09
288.9715271	0.07
299.3114624	0.08
300.00177	0.04
302.0871582	3.74
307.3543701	0.05
317.0750732	100.00
317.7017517	0.48
318.5463867	0.12
325.5345459	0.04
327.1715698	0.07
344.5741577	0.06
374.6279297	0.03
383.1991577	0.02
417.2598877	0.06
425.4241333	0.09
449.6362915	0.03
453.0651245	0.08
463.5089111	0.04
464.1411743	0.03
471.9504395	0.29
534.1035767	0.08
539.2379761	0.04
566.710083	0.11
572.4882202	0.03
581.4761353	0.03
607.2938843	0.28
608.454895	0.04
626.9829102	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
98.87954712	0.06
102.6054535	0.04
105.0640869	0.08
107.0371628	0.81
107.9806976	0.09
109.0940552	1.95
110.9311218	0.83
112.794136	0.16
114.9048615	0.15
116.9758148	0.59
119.0766754	0.29
120.9910431	4.82
122.9167557	1.29
124.9194641	0.81
126.5498962	0.05
129.0318909	0.89
130.9216461	0.30
133.0137939	0.23
135.0563354	4.85
136.9406738	0.79
140.9471741	0.09
142.9567261	2.54
144.6443634	0.79
147.0559235	2.08
149.1266785	2.08
151.1164551	1.79
151.8500061	0.19
153.127655	0.26
155.0106506	0.25
157.0292969	1.19
158.9344788	0.60
161.0179443	2.25
163.0816956	1.23
164.0680847	0.20
165.199295	0.05
166.1900024	0.16
167.0623169	0.60
169.1221466	0.95
171.0300293	0.58
173.1065521	1.01
174.9289856	0.99
175.6140137	0.48
177.1025085	1.10
179.1183167	0.15
181.1179047	0.17
182.9795532	0.98
184.9349365	0.63
187.0421143	1.58
189.1421509	0.49
191.0553741	0.49
193.0926514	0.12
194.8157654	0.21
197.148941	0.57
198.0052948	0.21
198.8013611	0.08
199.868042	0.19
201.1871033	0.12
203.155426	0.55
205.0362244	0.90
207.2536774	0.53
209.3063049	0.29
211.0362549	0.40
213.12677	0.35
215.1802673	0.44
216.9992065	0.85
218.986908	0.13
221.2995605	0.14
223.2137451	0.60
227.308075	0.31
228.1391602	0.05
229.0640259	0.51
231.1386719	0.47
233.1221924	0.25
235.2533875	0.06
239.0780945	0.06
241.1681519	0.46
242.2159119	0.12
243.0898743	0.32
245.1416016	1.67
247.2953186	5.20
248.931427	0.28
250.9967651	0.40
252.2645874	0.19
253.2215576	0.19
254.0889282	0.05
257.3054199	0.40
259.3254089	0.69
263.4107056	0.04
267.0911865	0.94
270.3080444	0.10
271.1123047	0.18
277.4263916	0.14
279.3742371	0.11
280.0249634	0.03
281.1751099	1.08
282.1496277	0.14
283.2063904	0.61
285.1952515	0.49
287.2842712	0.90
292.2294617	0.03
295.2437744	0.83
297.2326355	0.37
298.295105	0.13
299.2315674	1.05
300.1358643	0.49
305.2608643	3.78
305.9454041	0.19
311.4200134	0.20
313.2200317	0.59
320.0596008	0.43
323.2389832	100.00
324.249939	0.54
325.2431641	0.09
332.1816406	0.36
341.0821228	0.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
86.83237457	0.16
92.94828796	0.84
95.14102173	0.74
96.88667297	2.92
98.84390259	1.13
102.7693939	0.14
105.021019	0.16
107.0152206	0.33
109.0681458	1.32
110.9523849	0.86
115.0971375	0.26
116.9213562	0.15
118.9453812	0.61
121.0546722	0.22
123.0536804	0.98
124.9820099	0.56
127.1368408	0.46
128.66539	0.14
132.9646759	0.35
135.174408	0.93
137.060791	0.89
138.9747772	8.29
141.0364075	0.46
142.8972778	1.08
144.9393311	0.17
146.9397583	0.66
149.0119019	0.26
151.0933228	0.20
153.0123901	1.51
154.9013977	0.65
156.8921356	0.47
159.166626	0.22
160.7819214	0.23
163.1845551	0.16
165.3684998	0.10
167.2427521	0.48
169.044281	0.59
171.1560059	0.41
173.1827698	0.21
175.335968	0.97
177.2797852	0.36
179.2425995	0.46
180.9329529	0.33
183.0674286	1.77
184.7853699	0.30
186.6811829	0.08
193.1944885	0.16
195.203598	1.04
197.0244446	6.57
199.1239014	0.94
200.6852722	0.12
203.0274963	1.26
205.1229553	0.21
207.2002869	0.41
209.1383362	0.55
211.0162048	3.01
213.054718	0.20
215.4584351	0.53
217.1452332	0.10
219.1375122	0.61
221.2275391	3.56
223.0422974	0.83
225.0697021	1.56
227.0968628	0.40
228.7245789	0.23
233.2000122	2.09
234.2216187	0.14
235.3598328	0.99
237.2047424	2.84
239.1969299	17.53
241.0653381	0.67
243.1273499	2.07
248.7670288	0.14
251.2103271	0.64
253.2495117	0.76
255.1160889	2.87
257.0487671	1.58
261.0520325	2.30
261.6911011	0.22
266.9042969	0.58
269.1306763	0.64
273.6887817	0.36
279.2409668	100.00
280.2728882	0.33
281.2392578	0.13
287.5407715	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	290.1412
Annotation	Chloropyramine
Peak:m/z	Relative Intensity
83.2484512	0.06
86.9298325	0.31
88.9889526	0.12
90.9108887	1.00
92.9823303	0.50
94.8842545	0.33
95.8885040	0.07
97.0409241	0.12
98.9341736	2.02
105.0217896	1.43
106.8929443	2.38
109.0528412	7.41
110.9265442	0.46
112.2598953	0.11
113.0570068	0.64
119.7960815	0.11
121.8863297	46.84
123.0254440	0.83
124.9770508	0.54
126.9800568	0.33
130.0256348	0.14
131.0203247	0.02
133.0482788	20.02
134.9339142	0.18
136.1012726	0.03
145.1784058	0.07
147.0199585	0.07
149.0193329	0.07
150.9750977	29.37
154.8946228	0.14
160.0657043	0.05
161.0868835	0.12
163.0393829	0.11
165.2142181	0.15
165.9247742	0.10
167.0238342	0.09
169.0031433	100.00
171.8226624	0.13
176.9107971	0.08
179.0629272	0.17
181.4514465	0.62
182.1899719	0.05
183.4378357	0.09
184.0650940	0.06
185.1325531	0.09
186.2632446	0.27
188.1647644	0.03
191.2524567	0.61
192.6175842	0.15
197.1167603	0.09
200.0994568	3.02
203.0397339	0.10
208.3023682	0.04
209.3951416	0.08
219.1956787	0.25
223.5006409	0.03
226.1170959	0.43
227.0715332	0.18
230.2164917	0.04
232.8610840	0.04
237.2510376	0.21
241.1788330	0.09
242.1629639	0.09
243.1351929	0.06
244.1463623	1.36
245.0307617	0.15
245.8536377	0.09
248.7838135	0.26
249.6103516	0.19
254.3817139	0.54
255.1817017	0.21
259.9713135	0.10
262.3810120	0.19
266.9117737	0.06
267.9627686	0.10
270.3221436	0.58
272.1649475	4.60
272.8860474	8.55
281.3864441	1.02
282.3032837	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	609.1585
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
201.2165222	0.07
202.2060852	0.03
213.0287933	0.10
216.0323792	0.01
221.081665	0.01
228.9782715	0.06
230.2198639	0.25
243.2037659	0.05
257.9802856	0.81
268.0687866	0.19
283.1240234	0.05
284.8942871	0.04
286.0824585	5.94
291.1245117	0.01
299.3584595	0.02
301.0798035	100.00
302.0161743	0.15
311.0406494	0.03
313.2939453	0.03
331.4642334	0.04
371.18927	0.03
415.2632446	0.06
439.1708984	0.02
454.0076294	0.11
463.1168823	0.11
501.7264404	0.02
510.4950562	0.10
518.7702026	0.07
523.6080322	0.07
525.1136475	0.03
543.3197632	0.02
563.039856	0.08
565.6389771	0.02
573.1320801	0.03
577.0494385	0.02
591.3810425	0.09
592.3991699	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
201.1308594	0.17
213.1511078	0.09
257.2669678	0.28
263.1359253	0.12
269.1867371	0.17
287.2443848	0.62
294.857605	0.16
299.0098877	0.14
301.0090942	1.43
303.0561523	100.00
303.705658	0.24
313.2355957	0.20
335.2921753	0.40
356.2987061	0.14
361.1167603	0.12
367.0740967	0.25
398.3718872	0.17
430.9353638	0.22
431.6345825	0.39
449.2127075	0.72
464.05896	0.41
465.5007324	0.32
475.1287842	0.17
505.0480347	0.25
509.0892944	0.45
515.2401733	0.26
551.4763794	0.52
557.5604248	0.32
565.2195435	0.24
572.2622681	0.21
575.1512451	0.13
592.8148804	0.37
596.0707397	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	771.21
Annotation	Dethio-tetra(methylthio)chetomin
Peak:m/z	Relative Intensity
217.4516449	0.06
229.0695343	0.46
230.0533447	0.27
240.0201721	0.07
241.2706757	0.02
243.4448547	0.06
256.9958496	0.45
258.2092285	0.57
259.1964722	0.04
268.1546021	0.38
269.1582031	0.11
285.4748840	0.45
286.2510986	1.39
299.3180542	0.05
301.0967102	25.82
341.1891479	0.01
343.2590942	0.04
367.2775879	0.06
381.2838135	0.07
397.2306519	0.11
427.1887207	0.15
445.0327759	0.29
463.0748291	8.14
463.6781006	0.09
476.3221436	0.08
609.2037354	100.00
651.4968872	0.10
705.0659180	0.05
727.6532593	0.07
735.2150269	0.03
753.1538086	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
83.26784515	0.39
96.91572571	0.31
111.0539246	0.14
114.9507294	0.15
128.8303375	0.15
135.0413971	0.22
138.9593048	0.28
141.0451355	0.31
147.0384674	0.07
148.9562683	0.52
152.092514	0.18
160.9240265	0.55
162.921814	0.15
163.848465	0.20
167.2164154	0.41
169.2087708	0.43
173.0096588	0.21
177.0818176	0.98
179.894516	0.32
181.2638092	0.31
189.0549927	0.27
191.1417389	0.88
192.9241791	0.15
195.1439362	0.14
195.9198303	0.38
202.8804779	0.18
204.8992615	1.06
207.1678314	3.77
208.1123352	2.41
208.7756195	2.13
209.4075775	0.62
221.2882538	0.36
221.9671173	1.24
223.1655426	5.31
223.9243011	0.27
232.1358032	0.13
233.1188507	2.77
236.2258148	0.23
251.0656586	100.00
252.0898895	18.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	345.0823
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
123.9759979	0.46
148.5577087	0.04
150.8674622	0.02
155.0044861	0.04
165.2060242	0.07
166.2243958	0.06
168.0909119	0.68
178.9032135	0.03
181.0700684	0.25
182.9547729	100.00
183.9460144	0.43
193.2062683	0.04
195.0759430	0.05
196.8688354	0.03
198.8755341	0.02
214.0096741	0.05
225.1198425	0.40
236.9748230	0.05
239.0604248	0.07
254.8980408	0.09
261.1270752	0.06
278.9659424	0.11
281.2816162	0.19
299.0333862	0.61
301.3456726	0.11
302.1185303	0.05
307.2203064	0.02
327.1729126	0.20
330.2825317	0.10
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
206.8824768	0.15
232.9015198	0.07
255.2289581	0.04
290.7914429	4.93
292.8146057	0.15
368.7731934	0.08
374.7394409	2.63
405.2650757	0.21
411.1475830	0.63
412.9963379	0.39
418.7775879	0.55
429.7536621	0.19
458.5295410	24.63
459.2509766	0.02
464.8605957	0.36
467.2069092	0.16
490.7101440	0.30
502.3744507	0.75
502.9819336	0.10
520.6448364	0.10
530.1361694	0.06
530.9884644	0.46
535.0629272	0.13
536.2171021	1.10
537.0792236	0.80
538.8046875	0.10
540.0347290	0.14
542.5409546	100.00
543.2000122	0.45
544.0919800	0.11
544.7192383	1.51
548.5333252	0.58
554.4037476	0.07
558.4877319	0.12
562.7673950	0.10
566.8139648	0.42
574.5396118	1.57
575.1782837	0.05
580.5872192	1.69
581.3222656	0.14
590.6665039	0.25
603.0061035	0.21
604.4864502	10.71
609.0257568	0.10
616.1675415	0.22
620.6747437	0.18
623.5032349	0.26
624.1956787	0.58
625.7788696	7.71
626.4729614	26.12
627.3187866	0.23
634.5140381	0.21
646.5464478	1.28
650.6144409	1.78
652.6584473	0.24
663.2426147	0.35
664.1154785	2.50
664.9143066	1.07
692.1553345	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	308.0986
Annotation	O-Acetylneuraminic acid
Peak:m/z	Relative Intensity
100.9923782	0.10
113.0172653	0.11
119.0596313	0.03
125.0826263	0.02
127.9432144	100.00
128.7963409	0.02
131.1562500	0.04
143.1245728	0.12
146.1244049	0.03
160.9965820	0.11
161.7184143	0.02
179.0085297	1.96
179.9102173	0.03
191.7447205	0.02
212.0876465	0.01
217.7077942	0.01
228.0431519	0.01
233.1073303	0.01
247.7059937	0.02
254.2200928	0.13
259.1926270	0.01
261.9061279	0.02
264.0262451	0.02
272.1192932	0.08
289.1294861	0.06
290.2760620	0.09
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
114.9134293	4.76
115.8442230	0.88
116.8914032	5.18
131.1284180	0.28
132.7733459	0.06
158.9426422	89.54
160.0029449	17.56
160.8867188	100.00
161.8062439	0.05
185.1094971	0.07
200.0947266	0.33
201.0002136	4.34
219.0965271	1.15
229.1778259	0.32
230.9422607	53.34
247.0239868	0.79
248.9422302	0.06
256.9201660	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	225.0616
Annotation	D-Hamamelose
Peak:m/z	Relative Intensity
82.9325485	0.02
86.9322357	0.06
89.0269470	0.12
97.1601715	0.01
100.9330902	0.07
106.9734650	0.12
113.0514526	0.16
118.9045105	0.38
124.8914337	0.12
130.8519287	0.12
143.0294037	0.25
149.0909882	0.03
160.9982605	1.74
165.1374664	0.01
178.9499207	100.00
207.1232758	0.02
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
134.8809662	0.24
151.0489197	0.24
157.2701416	0.55
171.004837	0.72
173.0716553	1.23
176.9797363	0.31
178.0700684	0.42
183.1543121	0.19
185.1308594	1.48
187.1722717	1.01
193.2180176	0.25
198.0352173	0.26
199.1644287	1.87
201.143692	1.19
213.2025757	1.26
215.0632935	1.42
217.18573	0.21
220.930542	0.27
227.1080933	3.46
229.0367126	1.56
231.2865295	0.53
241.3445435	0.41
243.1025696	1.52
245.1633911	0.55
251.4125671	0.15
255.3504944	0.67
257.1883545	2.36
259.3991699	0.95
263.2528992	1.43
267.1293945	0.15
269.2029724	1.53
271.2686462	3.37
273.1468201	1.37
279.2433472	0.44
283.2191772	1.71
285.0800781	2.40
287.5748901	0.67
292.9936523	0.13
295.4410095	0.98
297.3425598	12.78
299.2212524	1.19
301.3625488	0.76
310.1618958	0.34
311.0142517	0.54
311.9029846	1.12
312.9876709	1.76
313.9832153	0.26
315.3024902	0.44
321.2785034	2.24
323.2578735	8.30
325.2550964	0.36
339.2565308	100.00
341.2928467	17.94
342.0140076	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	507.1142
Annotation	Eupatolitin 3-glucoside
Peak:m/z	Relative Intensity
151.0316162	1.11
153.1081085	0.21
161.2589111	0.25
163.0554810	0.06
164.1513672	0.08
166.0197601	0.16
168.8855591	0.06
177.3062439	0.23
178.9087982	0.67
180.0966644	0.07
181.0879669	0.06
186.8824005	0.13
188.0450745	0.22
188.9384155	0.06
190.1167908	0.07
191.2543182	0.07
191.9443359	0.18
192.7579346	0.04
202.8890381	0.13
203.6300507	0.10
205.1133423	0.29
207.1613159	0.04
213.0006409	0.07
219.1022186	0.40
220.2000580	0.34
220.9904785	0.25
221.9124756	0.04
230.8707428	0.51
232.0625763	0.06
234.0233154	1.42
235.0995636	0.71
237.1425476	0.04
239.1219025	0.05
240.2970123	0.10
241.1388855	0.10
242.1008606	0.10
242.9391022	0.33
245.0734406	0.17
246.0658417	0.08
247.1497650	0.36
248.3632507	0.07
249.0912628	0.03
251.2244263	0.07
257.9800110	0.29
258.9586182	0.29
261.1658020	0.22
262.1381226	0.03
263.1970520	0.27
268.0596619	0.08
269.0400391	0.47
270.0617676	0.09
271.0939026	0.16
273.2119446	3.51
273.9682007	0.05
275.1355896	0.13
277.1273193	0.40
279.0449829	0.31
283.1551208	0.31
284.2163391	0.09
285.2550659	0.45
287.1592407	0.89
288.1708374	0.10
289.4751892	0.22
290.2467957	0.08
291.1913452	0.22
297.7119751	0.42
299.3292847	0.46
300.0980530	0.29
301.1706848	6.09
303.0315552	2.13
304.1082764	0.03
305.0325317	0.21
310.2260132	0.09
311.0844116	0.04
312.1513062	0.24
313.2320862	0.23
314.1135559	0.30
315.1418152	2.28
316.0451660	6.22
317.0739136	0.38
319.0305176	0.72
321.2561340	0.10
322.2401123	0.07
325.1351929	0.29
326.0949402	0.14
326.9840698	1.20
328.0099487	0.46
329.1731873	6.18
330.1362915	2.27
331.0092163	0.22
332.8846436	0.04
333.6401978	0.11
335.2935181	0.03
337.0748901	0.13
338.6023254	0.09
340.1489258	0.03
341.1134033	0.57
344.0848389	100.00
345.1413269	41.75
346.0073853	1.52
353.2872009	0.63
353.9640503	0.09
355.1488037	0.31
356.0747375	0.28
357.1889648	0.63
359.1841431	4.88
360.3010254	0.58
362.8244019	0.10
363.4588928	0.10
364.9536743	0.17
369.2088013	0.49
370.1608276	0.10
372.1151733	0.30
373.1135254	0.08
374.0015869	0.17
381.3458862	0.05
382.3441467	0.04
383.2655640	0.10
384.0579834	0.02
385.2465210	0.27
387.1216431	21.06
388.1623230	1.28
389.0750427	0.11
395.1582947	0.13
399.3180542	0.21
402.0564270	0.18
413.1941528	0.02
415.3021545	0.21
417.0050659	2.74
417.6387024	0.25
418.2771912	0.16
421.2523499	0.03
423.1599731	0.05
425.3024597	0.16
427.1986694	0.05
429.1023865	0.16
431.2698669	0.10
439.2415161	0.36
444.0040588	0.03
453.1269531	0.07
461.1770325	0.44
462.8984985	0.20
465.2791443	0.18
471.2798157	0.03
477.2190247	0.11
479.1286926	1.83
480.4493713	0.14
489.1145630	0.20
489.7480164	0.13
492.2650757	0.80
493.2505188	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	437.9712
Annotation	Unknow
Peak:m/z	Relative Intensity
125.0669174	0.02
135.1060181	0.02
146.9963684	0.05
149.8876801	0.01
180.1453552	0.02
202.0763397	0.09
209.0610046	0.04
247.0070190	0.02
282.1333618	0.01
286.0282593	0.01
289.3249512	0.02
292.0861816	0.05
297.3551025	0.02
303.9701538	0.27
307.0272217	0.01
308.1920776	0.05
310.0965576	0.07
330.1998291	0.10
332.0573120	0.36
347.9697266	1.06
357.9042969	0.07
360.0950623	0.02
371.2229919	0.02
375.9749756	0.11
392.3335266	0.08
393.9536438	100.00
409.2849121	0.01
419.9280090	1.02
420.9374695	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2497
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.97433472	0.06
98.90339661	0.05
102.8929443	0.07
104.8982086	0.09
107.0252686	1.18
109.0209656	2.19
110.8354034	0.24
114.9987259	0.02
116.9607544	0.16
118.9032364	0.15
120.9554291	3.18
123.0584564	1.52
124.8798523	0.16
126.0809326	0.05
126.8687668	0.03
128.8800964	0.27
131.0009613	0.28
132.9070892	0.46
135.0442505	3.33
136.9993896	0.70
138.7217712	0.04
139.3623352	0.07
141.2379761	0.03
142.9592285	1.10
145.2027893	0.20
146.9819031	3.59
149.1128235	1.97
150.9841766	0.39
153.2550659	0.02
154.9511719	0.23
156.3685608	0.05
157.006012	0.69
159.0291443	0.39
161.0591125	3.19
163.0949097	1.28
165.0666809	0.59
166.869339	0.21
169.0082703	0.73
170.9920654	0.30
171.8934937	0.01
173.1137695	0.82
175.0548096	1.99
177.0659332	0.38
179.0296936	0.20
181.1397552	0.15
183.0111389	0.55
185.019165	0.10
187.1169281	0.66
189.054306	2.04
191.1200409	0.74
192.0536804	0.02
193.3013611	0.07
195.1082153	0.13
196.3226624	0.03
197.175415	0.11
199.0971527	0.16
201.0706024	0.19
203.2094879	0.67
204.0771179	0.03
205.1654968	0.45
209.1297302	0.09
211.0311279	0.16
213.1697388	0.44
215.055481	0.10
217.1599426	1.41
219.0325623	0.02
221.1207886	0.09
222.1468506	0.02
223.1862183	0.33
223.966217	0.01
225.1349792	0.05
227.251709	0.14
228.1123962	0.07
229.0321045	0.36
231.0269775	1.03
235.1615906	0.26
237.2588501	0.14
239.0094299	0.09
241.3422852	0.41
243.0546265	0.24
245.2875366	0.98
247.300415	6.08
247.9832153	0.04
249.0524292	0.14
251.1777344	0.06
253.264801	0.05
255.1459045	0.17
257.1587524	0.16
259.2399902	0.23
261.1629639	0.07
267.1015625	0.56
271.3990479	0.34
275.0302124	0.12
277.0797119	0.19
279.1549072	0.19
280.4990234	0.03
281.2398987	0.21
283.2199097	0.14
284.1963501	0.11
285.1419983	0.16
286.3443604	0.02
287.2526245	0.11
291.0862732	0.05
293.3084717	0.04
295.0388489	0.33
296.2386169	0.05
297.4640198	0.09
298.108429	0.04
299.2262878	1.36
300.2664795	0.03
301.0517578	0.02
305.2904968	1.38
306.1874695	0.02
307.1941223	0.09
309.1508789	0.06
313.2640991	0.33
321.384613	0.04
323.2415161	100.00
323.8623047	0.49
341.3016052	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
183.1990204	0.02
183.964447	0.08
184.9642792	0.03
217.1091309	0.11
218.0113525	0.06
218.9014282	0.05
228.1759949	0.06
229.0940552	0.07
233.2350464	0.04
246.205307	0.09
257.1609497	0.07
259.327179	0.02
260.1376953	0.03
271.18927	0.14
273.0447998	0.06
274.0453796	0.37
286.9515076	0.01
289.3526001	0.01
301.0270386	0.21
302.1195068	2.95
302.994812	0.01
309.0525513	0.04
313.5934753	0.03
317.0618896	100.00
318.0439453	0.05
331.1044312	0.04
359.4293213	0.02
367.4276733	0.02
383.5194092	0.02
417.055481	0.02
427.479126	0.07
430.1601562	0.12
462.9690552	0.12
472.5812988	0.10
479.3135376	0.06
522.5696411	0.03
534.8088989	0.15
538.6204224	0.11
553.1906128	0.02
570.9958496	0.04
581.1635742	0.01
589.6529541	0.03
606.6408081	0.02
607.2976074	0.25
608.3358765	0.08
639.9706421	0.05
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
76.70344543	0.19
80.04573059	0.15
80.88121033	0.64
82.72137451	0.69
84.96761322	0.11
91.05380249	1.05
93.06552124	0.08
94.89756012	0.75
97.09281921	0.90
99.09442139	0.37
103.0654144	2.94
104.877533	0.94
107.1001129	0.82
108.0187988	0.43
108.8598022	3.04
110.7342834	0.66
112.9360809	0.65
115.1781616	0.24
120.9562988	1.16
123.010025	2.48
125.1018372	1.12
127.0472717	0.50
128.9872131	5.19
130.0538788	0.29
132.9946747	2.08
134.917923	1.02
137.0509186	0.88
139.0622559	0.75
140.9409637	3.55
147.0035858	2.61
149.176178	1.15
150.9275208	63.59
152.0202026	5.01
153.2485199	0.66
154.9316711	0.70
157.1668243	0.90
161.1867828	1.43
163.1670685	0.21
164.9745636	0.93
166.1739807	0.20
167.0219116	2.82
168.0045319	0.11
168.99617	1.91
170.3016815	0.10
171.0934448	0.64
173.1264191	0.50
175.0262451	1.76
177.0943756	1.44
179.0079498	3.48
181.2408142	1.08
182.3011475	2.10
183.1987457	1.61
185.016098	2.68
187.7243347	0.26
189.3989105	0.22
190.0842438	0.76
191.1978912	2.19
193.1373749	0.59
194.0161285	1.65
195.0574951	3.24
197.0108185	9.23
198.1915741	0.51
199.0544586	0.15
202.1762238	0.12
207.1746216	1.67
209.1676025	1.14
210.1204376	1.16
210.995575	3.03
211.8376465	1.03
212.531189	0.11
214.080246	0.14
217.1089172	9.30
217.7627411	0.24
220.8822174	0.17
223.1219025	1.06
225.1215363	10.52
226.1135101	1.08
232.5330048	0.43
235.1479645	26.65
236.1752167	1.31
238.0514984	7.90
239.0291138	0.87
251.1472778	2.29
253.0918579	100.00
254.1915131	15.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
216.9818726	0.14
229.1095581	0.44
251.1758575	0.23
257.1470947	0.34
273.1763	0.32
283.3078613	0.07
285.1238403	0.13
286.2212524	0.19
286.9804688	0.06
299.1705933	0.03
301.2240601	0.16
303.0588074	100.00
304.2672119	0.08
337.9471436	0.06
356.164978	0.05
424.237915	0.07
431.1323242	0.10
449.0008545	0.19
466.1554565	0.13
470.4203491	0.24
481.270874	0.12
538.0571289	0.04
565.7555542	0.10
567.2353516	0.20
592.7349243	0.47
593.5065918	0.61
595.1713257	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	461.1084
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
175.0340118	0.06
187.9519958	0.05
193.198349	0.13
237.0326233	0.10
238.3184814	0.05
239.9953003	0.07
242.316864	0.06
255.1851196	0.24
269.3437805	0.05
276.9914551	0.05
283.1505737	0.39
284.5221863	0.64
286.3463745	0.21
293.2281494	0.46
296.9250793	0.49
299.0518799	100.00
299.7161255	0.13
301.1676636	1.14
311.2875366	0.15
312.9270325	0.95
323.1142883	0.13
329.4749146	0.09
338.1210938	0.06
339.1054993	0.13
341.1436768	0.21
345.0784302	0.16
353.0118408	0.49
355.2507019	0.27
371.0834045	0.78
373.1560364	0.52
375.1809082	0.05
415.1045837	3.48
416.7824402	0.14
431.8102112	0.11
443.1308289	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	273.96
Annotation	Unknow
Peak:m/z	Relative Intensity
115.0047150	5.28
116.0012817	4.06
131.0101318	0.17
131.9590454	0.29
158.9608154	98.53
159.9766235	100.00
162.4643860	0.03
164.9455109	0.06
198.9249268	0.24
199.9842834	3.35
217.2240295	0.20
218.0341187	1.65
229.8424072	53.43
246.0120850	0.78
273.8827820	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	420.1443
Annotation	Javaberine A
Peak:m/z	Relative Intensity
125.9139709	0.04
128.0225983	1.17
140.9314880	0.12
143.0120850	1.63
146.0080872	0.24
151.0361633	0.02
153.1418152	0.14
155.0627441	0.25
160.0045319	0.92
166.9933472	0.70
169.0380554	0.10
170.2749176	0.02
171.0408783	0.43
177.0370636	1.95
179.0381470	3.31
181.0720215	0.05
183.1219788	0.02
185.0409698	0.38
192.1390076	0.08
193.1215210	0.09
197.0948181	0.62
210.0672302	1.68
213.1063232	0.20
228.0967712	0.12
231.1891479	0.35
236.1294861	0.17
242.0111389	0.17
244.9160156	0.03
254.1065979	17.86
254.7067566	0.09
260.1529236	0.02
272.0848694	23.04
288.0517578	22.99
290.0126343	0.06
291.2249146	0.24
306.0796509	100.00
340.2489014	0.03
360.4283447	0.08
374.0434875	0.09
402.2080688	7.51
402.8807678	0.02
405.3501892	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	394.1631
Annotation	Waltherione A
Peak:m/z	Relative Intensity
116.0605774	0.65
120.2020874	0.08
127.1533432	0.35
144.0032654	1.58
144.9089050	0.73
146.1029663	0.43
148.7203674	0.18
149.8865356	0.27
161.9019165	16.72
162.5054626	0.07
170.7289734	0.16
178.9429321	29.10
184.6981812	0.27
193.3765717	0.27
208.0155640	0.22
224.0389404	0.17
229.1935425	0.43
232.1583557	0.31
234.0386963	0.12
245.0468750	0.12
247.9670715	5.14
250.1539307	0.18
252.2957764	0.06
254.8792419	0.06
258.2850342	0.49
265.1304321	100.00
271.6307678	0.23
272.2424622	0.12
274.1902771	0.28
282.0448303	0.06
287.5622559	0.30
290.3399353	0.07
290.9971924	0.73
304.1089478	1.13
305.3199463	0.31
308.1183472	5.50
309.2498169	0.41
315.9180908	0.24
319.1911621	9.87
334.2437744	0.12
335.4546204	0.10
336.1051331	0.37
347.7821045	0.40
348.7255249	0.40
358.3150330	0.47
359.1364441	0.18
363.1379395	0.28
366.7558289	0.21
370.8892517	0.09
376.2072754	3.03
377.2456360	0.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	399.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
119.1214752	0.03
175.0009460	0.03
207.1018372	0.19
219.0865784	0.91
261.0420532	0.03
301.0618286	0.03
306.9910583	0.09
309.0339966	0.38
323.2308655	0.03
335.0952759	0.03
353.1624146	100.00
353.7699890	0.41
355.2850952	0.18
366.8760071	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1527
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
189.0872955	0.15
217.963913	0.05
246.234314	0.06
256.9870605	0.17
267.1724854	0.07
274.2346802	0.46
284.3249512	0.12
302.1518555	3.42
317.0705566	100.00
318.0672607	0.04
351.0783691	0.15
371.930603	0.39
399.2238159	0.06
402.6517334	0.06
405.5029907	0.11
415.2965088	0.04
435.4466553	0.11
437.3361206	0.05
445.4228516	0.10
453.4472046	0.07
455.2098999	0.05
463.21875	0.11
470.59729	0.26
484.8978882	0.16
499.6247559	0.04
508.5184937	0.05
607.427063	1.02
608.1523438	0.11
616.6774292	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	546.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
186.1437073	0.19
203.8432922	0.13
326.0734253	0.02
357.9919434	0.01
366.1586304	100.00
367.4920654	0.10
368.2269897	0.02
369.8144531	0.02
410.2026978	0.01
417.5566406	0.06
430.1241455	0.01
474.2517700	0.02
494.4613647	0.01
499.6657715	0.07
500.3719482	0.01
502.0802612	0.07
510.2185669	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	291.1065
Annotation	2-[(beta-D-glucopyranosyloxy)methyl]-5-hydroxymethylfuran
Peak:m/z	Relative Intensity
82.8592224	0.19
85.8080597	0.08
86.9691009	0.21
92.9325027	0.05
100.9768219	1.09
111.0645523	1.23
120.9735870	0.30
123.0746307	0.17
128.9307251	100.00
133.8761902	0.06
139.1222687	0.19
147.9355164	0.06
150.9907532	1.29
152.8413391	0.09
159.1756744	0.29
161.0588379	0.04
163.0955811	0.07
165.0322876	0.05
167.0246735	0.23
171.2178345	0.28
175.0298920	0.12
176.9287720	0.24
179.3226166	0.13
187.2561951	0.20
188.1699524	0.09
189.0386963	0.12
191.0762024	0.09
193.2063751	0.20
200.8837891	2.64
203.1373901	0.10
205.3232422	0.09
206.7729797	0.09
209.5450439	0.11
211.4183960	0.20
217.2050476	0.17
227.2384033	0.05
229.0917969	0.25
231.2637634	0.32
232.0968933	0.06
232.9093018	0.16
235.0298157	0.05
237.8622131	0.22
238.5238953	0.24
241.0071411	0.12
242.7527466	0.10
245.0364380	0.98
247.1026306	0.38
248.9486694	0.41
250.0936584	0.32
255.0888672	0.40
256.2415466	0.26
258.7225342	0.05
259.4175415	0.34
260.9905701	0.12
263.1438293	0.28
264.6488647	0.14
273.1257324	2.74
274.1499939	0.15
276.3168335	0.12
281.6453247	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
177.9978333	0.09
186.9151306	0.16
200.9561615	0.17
229.1595001	0.14
257.0672302	0.37
274.9696655	0.13
286.9855652	0.34
303.0524902	100.00
304.0233459	0.80
311.5472412	0.40
365.269165	0.07
391.1959229	0.11
429.3390503	0.37
449.0315552	0.24
466.722168	0.34
469.0974121	0.09
482.0477295	0.18
516.8452759	0.10
523.5515747	0.08
530.6802368	0.19
544.9954834	0.21
552.9638062	0.22
558.7484741	0.27
567.2860718	0.19
569.8024292	0.71
578.6202393	0.07
582.6173706	0.14
592.8468018	0.71
593.7352905	0.39
599.0668335	1.29
610.9628296	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.1688
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
92.57958221	0.51
132.7751312	1.28
148.9774475	9.68
155.1624146	0.88
157.2199097	0.95
169.9921112	4.88
179.0975342	4.55
183.0104065	100.00
184.0151825	36.29
185.0531311	2.26
197.0270844	24.21
198.0723572	13.95
199.098938	0.42
209.1716614	0.35
211.0093689	0.78
212.1514587	4.32
213.1216125	2.58
221.1078491	1.39
223.256073	1.55
225.0460205	3.25
226.0347595	4.59
228.9513855	1.29
239.2322998	2.99
240.1096802	0.59
242.6931152	0.52
247.2445068	11.59
248.3087463	2.02
249.271759	5.16
251.2160034	1.60
253.2867737	0.62
254.3565063	0.42
255.0501709	0.35
265.0643311	1.45
267.2034912	8.80
283.4309692	0.53
293.2607117	30.42
294.2892151	0.93
295.333313	4.62
311.2442932	18.28
312.3277283	4.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	801.2209
Annotation	Tibouchinin
Peak:m/z	Relative Intensity
226.9395905	0.01
241.2065125	0.03
242.0809784	0.20
245.0317230	0.09
252.0693970	0.03
253.2059937	0.14
269.1298828	0.19
270.0071411	0.19
270.9942017	0.09
272.2049561	0.02
273.2174988	0.11
281.0266724	0.05
286.0603638	0.07
287.1033630	0.66
297.1564331	0.11
298.0278015	0.25
299.1376648	0.55
300.2953186	0.06
313.3471375	0.02
315.2505493	1.16
316.2056580	0.08
331.1797485	51.83
341.0918579	0.05
343.1608887	0.03
347.3217773	0.04
355.0201416	0.08
373.4552002	0.16
383.6985474	0.02
397.3355713	0.30
403.0972900	0.02
427.2528076	0.08
438.9629517	0.02
457.2016602	0.08
475.3859253	0.43
476.7535400	0.13
477.4570923	0.01
493.1241455	12.38
493.7597046	0.03
639.1680298	100.00
639.8141479	0.29
705.5223999	0.04
783.6988525	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.92323303	0.22
99.04390717	0.17
105.0471802	0.49
105.8527603	0.21
106.9322739	2.49
108.1772842	0.35
109.0157318	1.66
110.2965393	0.22
110.9246216	0.31
112.8787994	0.48
116.9917221	2.02
118.8635483	0.69
120.992897	5.15
122.9728165	1.59
124.9284058	1.11
129.0180969	0.98
130.9897614	0.97
132.952713	0.73
134.9987488	3.96
137.249054	0.85
140.8495789	0.70
142.9776917	4.02
144.0910339	0.13
144.9143372	0.94
147.0313416	0.08
149.0395813	0.95
150.9972992	0.68
151.7280273	0.17
154.9968262	2.21
157.0029907	1.51
159.0153046	5.30
160.8869019	0.58
162.8770752	0.35
163.5203247	0.24
165.0581665	1.45
167.0097656	1.26
168.2511444	0.80
169.0894165	3.41
173.1007385	10.01
174.8530273	2.34
176.16745	0.36
177.246521	0.95
178.9957886	0.29
181.1493988	0.46
183.052124	1.93
184.7736511	0.32
186.1659698	0.11
187.0171661	2.54
189.0925751	0.28
191.1218567	0.48
191.9607697	0.21
193.0425873	0.70
194.9648132	0.50
197.2064514	1.52
199.2098083	0.18
200.0385132	0.54
201.2889404	0.42
201.9252167	0.13
205.1724854	0.91
207.355835	0.25
211.0931091	2.80
212.902771	0.38
215.180542	1.28
216.1228943	0.40
217.1490479	0.71
219.3120728	0.12
220.9197998	0.44
223.2637939	1.00
224.9628296	0.83
225.9996033	0.06
228.1569824	2.44
229.1202087	8.05
230.1538086	0.48
231.0219727	0.40
233.1271057	1.54
237.4354553	0.77
239.2648621	0.24
240.3511658	0.15
240.9784851	0.74
243.0207214	0.85
244.2356873	0.10
245.1613159	1.75
246.6409912	1.89
247.2715149	9.15
248.1726685	0.62
249.0554504	0.29
251.2722778	1.89
252.0395203	0.09
253.0537109	0.39
255.1832886	0.06
259.2208862	1.99
263.6148682	0.08
265.3079834	0.63
267.1300659	0.31
273.2391968	0.71
275.2022095	0.22
276.8875732	0.18
279.2841187	0.24
281.0065002	0.27
283.1239014	0.57
285.2406006	1.49
286.5834961	0.18
287.3560486	0.95
295.2828369	2.46
297.1652832	0.53
299.2139587	4.58
300.098053	1.07
305.2119751	7.52
305.9544983	0.11
310.4760742	0.68
312.8950806	0.59
313.5386963	0.42
321.3561707	0.09
323.2398071	100.00
324.3777161	1.31
325.3803406	0.37
326.3898315	0.18
341.0173035	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
229.109314	0.27
257.2848816	0.37
268.2719727	0.26
274.6756592	0.16
284.9155273	0.06
286.9649658	0.20
303.0461731	100.00
313.4063721	0.09
315.1385498	0.19
337.3449707	0.19
355.2943726	0.15
406.0909424	0.18
413.3618164	0.24
430.8345337	0.16
449.2396851	0.49
465.1369629	0.07
482.7662354	0.06
551.2650757	0.13
568.5164185	0.07
589.5740356	0.42
590.2036743	0.09
593.109436	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	463.122
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
286.0700378	0.03
301.0711365	100.00
331.0308228	0.01
426.9876099	0.02
440.2487183	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
244.9608459	0.15
274.1378784	0.68
275.1127319	0.10
302.0899353	1.78
303.1183777	2.05
317.0679932	87.84
318.0950317	100.00
318.7784119	0.60
323.2432251	0.33
424.1577759	0.13
526.7387085	1.40
533.6282349	0.46
547.5221558	0.36
564.4996948	0.59
580.288147	0.32
586.074707	0.22
608.1212158	0.43
608.9510498	0.25
625.7772827	0.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	352.3206
Annotation	Anandamide (20:2, n-6)
Peak:m/z	Relative Intensity
104.8508835	0.08
106.9892044	0.04
109.0008163	0.51
110.9003906	0.08
112.9618835	0.05
117.2166443	0.03
122.9702911	0.48
125.1405945	0.09
130.7947540	0.04
132.9315186	0.16
135.0783691	0.24
137.1547699	1.20
138.9843750	0.13
141.2011871	0.08
143.0145569	0.10
145.0191803	0.35
147.0768280	0.14
151.0394897	0.79
151.8387299	0.07
152.9010925	0.05
154.1972961	0.06
154.9195404	0.36
156.2140198	0.06
157.1145630	0.09
158.9976501	0.28
160.9774170	0.13
163.0997314	0.40
164.9655457	0.32
167.0452271	0.11
169.1331482	0.07
172.2666779	0.09
173.1993408	0.11
175.0962982	0.07
177.2093048	0.84
178.2157593	0.06
179.1469421	0.13
181.2133636	0.22
183.0449677	0.20
185.1791229	0.04
187.0782318	0.35
189.2782593	0.13
191.0307770	0.47
193.1634827	1.03
195.0888824	0.75
197.0282898	0.23
198.9883423	0.10
201.0980835	0.30
203.1723938	0.39
205.1392517	0.38
206.3100891	0.10
207.2042847	0.74
208.2298279	0.17
209.2736053	0.33
210.3993530	0.04
211.0532532	0.14
212.1914368	0.43
213.3222656	0.06
215.0834351	0.09
217.2194519	0.19
218.9934082	0.22
221.0785828	0.49
223.0856018	0.65
224.1158752	0.12
225.2445679	0.21
226.2180786	0.99
227.1375732	0.05
229.1518250	0.07
233.1819458	0.28
235.1812744	0.45
236.0979919	0.06
237.2138062	0.39
238.1177063	0.03
239.0556030	0.15
240.4509583	0.40
243.2464294	0.20
247.2689514	0.42
249.3399048	0.11
251.1619263	1.25
252.0841370	0.11
253.2331543	0.06
254.3377686	0.09
261.2689819	0.06
264.1375122	0.09
265.2648926	0.60
266.8976440	0.21
269.2267456	0.05
274.4069519	0.06
275.3211670	0.08
279.2519226	0.50
280.3327942	0.13
285.2481689	0.05
288.6484375	0.03
289.3531494	0.31
292.6433411	0.10
293.3825073	0.07
294.0526733	0.14
299.3799438	2.77
303.2152100	0.32
307.2867126	0.74
309.1676636	0.19
310.1920471	0.15
311.1775513	0.15
317.1634521	6.75
317.7810059	0.06
319.6851196	0.02
320.9456177	0.25
323.2756042	0.07
335.2279053	100.00
335.9320068	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	329.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
101.0039673	0.13
106.7781219	0.19
108.2330551	0.07
108.9715805	0.10
113.1386261	0.10
114.8796387	0.07
122.0942230	0.34
134.9677124	0.02
137.1314545	5.89
139.0623322	0.21
140.2372742	0.06
145.1293945	0.05
149.2167664	0.21
151.0578003	1.81
152.9585876	0.03
160.8841705	0.11
165.0512695	1.33
167.0319519	100.00
168.1084137	0.85
169.1170349	0.07
174.9904480	0.09
179.1138153	0.85
191.0953522	0.11
193.0900574	0.38
199.0583801	0.08
209.2244263	0.07
219.2092285	0.07
221.2156067	0.11
226.9374084	0.15
232.0556335	0.06
232.6600342	0.03
235.6861572	0.15
237.0662842	0.22
238.9936218	0.05
254.6221313	0.05
263.1837463	0.03
281.9255981	0.06
282.9512024	0.87
285.1133423	0.19
293.2843628	0.21
297.1966248	0.08
301.1370239	0.14
309.0380859	0.06
311.0606689	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	475.1819
Annotation	Kanokoside A
Peak:m/z	Relative Intensity
143.1402130	0.17
145.0793762	0.12
161.1482391	0.08
163.0130157	8.29
169.2881927	0.06
176.4235840	0.03
178.8389740	0.03
180.7283173	0.05
205.1595154	0.57
230.3004150	0.15
233.9516602	0.58
234.8546143	2.47
252.8224182	0.06
264.2859802	0.81
265.0740967	3.65
288.9128113	0.43
294.8052979	0.38
307.0302734	1.88
313.1582031	0.04
324.4791260	1.16
325.1084595	5.74
429.2039795	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.11
Annotation	fagopyritol B1
Peak:m/z	Relative Intensity
100.9519577	3.65
107.0452805	0.54
112.9386978	15.19
114.868576	1.46
118.9271164	14.12
130.883728	5.75
142.9427032	17.12
148.9770813	3.72
151.2342834	0.64
160.9745789	15.52
179.051239	100.00
183.9633331	0.41
189.230484	0.48
197.2289124	0.65
215.1937256	0.57
223.3530273	0.44
226.2107239	0.49
235.0556641	0.25
237.1749878	0.34
241.1368103	0.96
242.9866028	1.14
266.6801758	0.34
269.1950684	1.47
274.5811768	0.30
281.0270386	3.51
295.0526123	10.96
297.0869751	3.75
298.1444397	1.05
323.3071289	0.66
325.7711487	0.97
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
128.8802795	8.46
152.8908234	0.20
212.8222656	4.75
269.2035828	0.23
296.7073364	100.00
297.4207153	0.40
335.1805725	0.83
337.3535156	0.11
351.3057556	1.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	439.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
149.0173340	0.05
163.0525818	2.96
176.9880066	0.11
179.1925354	0.06
183.1315918	0.07
234.7891235	1.49
246.8915710	0.13
251.7802734	0.08
252.7095032	0.09
254.0846252	0.07
259.1922913	0.10
264.6447754	0.39
265.2449646	0.10
272.1123962	0.82
277.2480469	0.04
288.4723206	0.09
289.0912170	0.14
295.0827637	0.10
299.0996094	0.06
300.8738403	0.07
306.2886047	0.18
307.1840515	0.03
313.0982056	0.33
319.0598755	0.03
324.4095154	0.54
325.1633911	0.55
349.2993164	0.10
377.1692200	0.22
393.1601562	100.00
395.2106934	0.24
408.8937073	0.04
411.3067017	0.04
421.1144104	0.14
421.7720642	0.07
430.6453247	0.21
439.3730469	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	418.206
Annotation	Unknow
Peak:m/z	Relative Intensity
126.9217148	0.14
128.9616699	0.57
130.0036469	0.45
143.9782257	0.22
147.9858704	1.16
148.9424133	0.14
151.0021667	0.10
151.8044434	0.05
155.0988159	0.07
156.0732269	0.10
163.8375397	0.08
167.3110352	0.06
169.2746887	0.09
170.1647034	0.08
171.3372192	0.19
171.9517212	0.52
173.0815582	0.09
174.9629517	0.18
179.0819702	0.04
190.9537354	0.48
198.1066589	0.04
198.9651794	0.15
207.3328247	0.14
209.2019958	0.55
210.8870544	0.48
214.9871368	0.04
217.2408752	0.97
226.0364380	1.55
227.2057800	0.04
229.3042603	0.57
230.1635132	0.21
234.9918213	2.56
235.9279175	0.24
242.5252380	0.15
244.1410217	1.27
245.2098389	0.14
250.9690857	0.10
253.0348206	4.83
254.1956787	0.10
260.1863403	0.08
266.1463318	0.05
268.3963928	0.10
270.2106934	0.39
271.1858215	1.00
275.2256470	0.14
280.2635498	0.25
283.3436890	0.15
286.2209473	0.43
294.0468445	0.21
297.2633057	3.80
298.9160156	0.04
300.1463013	0.12
305.0567017	0.11
307.5065308	0.20
310.2758789	0.30
311.8885193	0.08
313.1567383	0.33
318.3632812	0.04
319.9905396	0.10
328.2435303	0.31
329.5169983	0.10
336.0736084	0.92
336.9341431	0.60
338.2492065	1.36
340.2196655	0.35
346.1804810	0.53
351.2924500	0.29
354.2126770	5.99
355.3305664	1.19
356.3059998	4.61
357.2465515	0.14
358.4084473	0.27
364.2242737	4.61
365.4873352	0.16
369.2051697	0.13
372.0851746	1.72
373.2890320	0.27
374.0619507	0.08
375.1335144	0.11
377.2126465	0.35
382.2200317	20.53
383.2817688	0.46
387.0748596	0.35
390.5235291	0.15
400.1725769	100.00
400.8417358	0.21
401.4467773	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	297.0826
Annotation	1-Methylxanthosine
Peak:m/z	Relative Intensity
98.8254700	0.84
112.9653320	0.11
114.8358307	0.14
116.9023895	100.00
148.8263245	0.46
151.0584106	0.12
163.3149567	0.21
165.1459045	0.07
169.0912781	0.21
175.9504089	0.54
179.0117340	0.89
183.2520142	0.12
196.9217987	3.16
199.2134399	0.20
223.2504578	0.11
225.1502686	0.17
235.3481140	0.15
249.0105591	0.19
250.5343323	0.27
251.2178955	1.62
253.1101074	0.99
261.2381287	0.20
279.2510376	0.98
282.3393860	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	801.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
228.9684753	0.04
231.1594543	0.07
243.4854584	0.05
247.3376312	0.09
255.0547791	0.11
256.0897827	0.08
265.0421448	0.08
266.2060242	0.22
270.0708618	0.02
273.1024475	0.03
275.0773010	0.03
281.1718750	0.10
283.0790405	0.25
298.1217346	0.66
299.1425476	0.66
307.1474915	10.48
307.7608032	0.05
313.2029419	3.16
325.3796387	0.14
326.9212646	0.07
329.0861816	0.30
330.1979675	0.22
331.1489563	4.80
333.1880188	0.18
338.0427856	0.04
344.1384583	0.07
349.3928223	0.02
352.9648743	0.03
355.3400574	0.29
373.2957153	0.06
381.2621460	0.12
387.2048340	0.04
391.1000366	0.05
433.0996094	0.08
443.4283447	0.13
447.1549072	0.02
457.2772217	0.12
459.2610474	0.22
461.3206177	0.20
473.0928345	0.39
475.2257080	4.85
477.3079834	0.67
485.1517944	0.20
491.0712891	0.31
492.0988770	0.31
493.2493286	1.74
527.7412720	0.06
530.0362549	0.08
535.1806641	0.05
539.1427002	0.14
588.0892334	0.05
595.1724854	0.09
602.9479980	0.07
621.1367188	0.23
622.1351929	0.12
627.0667114	0.02
637.2452393	0.26
639.2139282	100.00
647.3215942	0.13
653.7783813	0.05
681.1719971	0.12
691.9185181	0.05
709.0466919	0.07
711.9381714	0.05
741.3009644	0.03
756.3142090	0.06
757.1500244	0.10
769.5270386	0.06
783.4990845	0.06
801.6265869	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	335.1117
Annotation	Pterolinus D
Peak:m/z	Relative Intensity
102.9469147	0.15
104.8313904	1.44
119.0779877	0.16
126.9533157	1.01
129.0246735	0.83
133.012207	1.16
134.8763428	0.38
140.9116821	0.34
143.0830078	0.40
144.9839172	3.52
147.1590576	0.32
148.9360657	0.88
150.9727173	0.55
153.0386353	0.24
154.2137146	0.12
156.9664459	0.38
159.1045532	1.19
160.7864685	0.94
163.1539001	0.50
166.0795898	0.09
167.0320892	0.57
168.9842834	0.48
171.0448761	1.82
172.9773712	4.39
175.2608032	0.15
177.1542053	0.23
179.0799866	0.07
180.4165344	0.11
183.1498871	0.31
185.1306458	0.92
187.1408539	0.69
188.9827576	37.18
193.3350677	0.08
195.0613098	1.56
196.9953918	0.08
198.9420013	0.57
201.0610504	16.17
203.1883545	0.65
204.4489441	0.14
207.0470276	0.60
212.1395569	0.52
213.0711365	24.00
215.0854492	0.09
217.2171631	0.09
227.1954346	0.19
231.0388184	22.59
231.669281	0.05
232.9216614	0.25
237.2041321	0.22
239.1220093	0.07
241.3176575	0.23
243.2501831	0.17
245.0810852	0.33
246.1753235	0.46
246.907196	0.06
249.0340881	0.34
251.5206299	0.26
252.9966125	0.24
256.9258423	0.40
261.1130981	0.34
265.4621582	0.04
270.9756775	0.21
271.9510803	0.29
273.2018433	0.13
275.1544189	17.13
286.1885376	0.14
287.2042847	0.33
289.1276245	1.23
291.0877991	5.21
291.7746582	0.33
299.2001953	0.84
300.2501526	0.36
304.290802	0.07
305.2787476	0.11
314.3408508	0.23
317.1069336	100.00
317.9691467	0.50
321.7979431	0.44
334.120697	0.07
335.3811035	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.152
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
189.9164581	0.37
218.9175262	0.27
228.8031769	0.25
240.9739685	0.23
249.1385956	0.38
256.2250061	0.45
258.2399902	0.18
273.0569763	1.09
274.2665405	0.48
284.9969482	0.13
289.2554016	0.16
302.1328125	1.85
303.116272	3.74
317.0737915	100.00
318.130127	94.11
318.7669678	0.34
385.6050415	0.29
402.9621582	0.54
463.048645	0.42
519.3539429	0.24
522.0521851	0.80
528.3867798	0.19
534.980957	0.14
557.4577026	0.27
558.6018066	0.57
565.5901489	0.20
608.5626831	1.49
627.9596558	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
176.1884766	0.06
188.8343811	0.01
189.8676605	0.07
197.2386322	0.09
201.2263184	0.03
203.0158691	0.05
216.9906616	0.04
218.0241699	0.02
230.8453369	0.03
245.4842987	0.07
246.0981598	0.04
257.1396484	0.15
261.3246155	0.02
271.1600342	0.09
273.2086487	0.04
273.9728699	0.38
297.197876	0.07
302.0415649	3.45
303.2828979	0.02
309.0477905	0.02
317.0671997	100.00
317.9926453	0.11
337.5366211	0.06
384.258667	0.04
437.7039185	0.02
462.9262085	0.27
463.5684814	0.11
471.4147949	0.07
479.0725708	0.05
494.3012085	0.06
523.824646	0.09
562.4170532	0.04
606.5731812	0.18
607.4019775	0.09
626.0421143	0.02
639.2423706	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
76.87741089	0.20
79.02703857	0.19
95.01069641	1.16
96.71817017	0.30
103.0499573	2.07
104.9300995	0.71
106.9899445	0.96
109.0845642	0.53
119.1321564	0.16
121.1546173	0.31
122.610199	0.32
125.1335602	0.95
127.1281128	0.44
128.8886108	4.67
130.1366577	1.81
135.1364746	0.78
135.8453217	0.48
141.0618439	0.28
146.9697418	0.76
148.8062286	0.33
151.0019531	69.94
152.0205536	4.14
153.0449982	0.87
154.0572968	1.71
154.9765167	0.94
157.1440887	0.32
158.2875214	0.32
160.5411835	0.20
163.2726593	0.22
165.1360168	0.33
166.1858368	0.94
167.1872711	2.03
168.1428528	0.32
169.0088654	0.94
170.9294891	0.30
171.8204346	0.41
173.249649	0.28
175.0795898	0.19
179.1678619	3.08
181.0722046	0.58
182.1111298	1.85
183.1295624	1.07
185.0496368	1.37
190.203537	1.62
191.0806274	0.59
195.054306	0.37
197.0820465	2.58
197.7460022	0.22
199.3471527	0.38
207.2130585	0.26
211.2381744	1.86
212.0911255	0.46
217.3535004	4.90
225.1502533	7.94
226.5541534	0.33
235.1301727	7.71
238.1464233	11.14
239.1347046	2.31
244.0579224	0.80
251.168808	1.02
253.0894928	100.00
254.1896515	15.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	769.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
221.8854523	0.06
224.9694824	0.14
227.0338440	0.12
233.1698303	0.20
240.0600281	0.10
243.1174927	0.05
254.0079956	0.07
255.1856232	0.58
256.1579590	0.05
258.4004517	0.06
283.1165161	0.68
284.0874634	1.83
286.1130066	0.11
299.0566406	8.53
301.0396729	0.79
306.2200317	0.06
309.0354309	0.04
313.0339966	0.09
323.0580444	0.07
338.1647949	0.06
341.1418762	0.23
365.3480225	0.14
383.0841675	0.43
401.3742676	0.10
425.2346191	0.17
427.5164795	0.08
439.1710815	0.04
443.0416260	0.05
447.9517822	0.07
449.2937012	0.05
453.2962036	0.04
456.0915527	0.10
461.2429199	24.99
462.1267700	0.06
474.1898193	0.46
475.4129639	0.23
481.4499512	0.04
483.5054321	0.08
489.2235107	0.08
503.4933472	0.07
509.5656128	0.09
511.0797119	0.08
512.4338379	0.09
513.6664429	0.15
517.3822021	0.09
525.0805054	0.18
539.2203369	0.04
545.3632202	0.14
551.0105591	0.06
589.3234253	0.18
607.2340698	100.00
617.0361938	0.10
623.4985962	0.05
629.3909302	0.15
648.7327881	0.09
651.6392822	0.06
660.9570923	0.14
673.2544556	0.14
674.6228638	0.36
691.1390381	0.46
691.8041382	0.14
692.8858032	0.44
719.4611206	0.07
733.0809937	0.05
741.3867798	0.18
751.1300659	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1522
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
217.1797791	0.20
228.4189301	0.18
232.2136688	0.18
244.9554443	0.17
246.2121735	0.09
257.7763062	0.47
274.0314636	0.81
275.2511292	0.91
284.1669312	0.22
286.2404785	0.30
301.1737976	0.14
302.1017456	3.68
303.1592407	3.67
317.0643311	100.00
318.175354	98.03
342.6451416	0.41
359.8894043	0.35
444.3500366	0.17
464.168396	0.90
471.6171875	0.44
476.5725708	0.09
492.1147461	0.26
493.3493042	0.17
506.4121094	0.68
517.9163208	0.10
536.2044678	0.58
571.7504272	0.57
589.8935547	1.11
599.8557129	0.49
608.5793457	0.53
609.3883667	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
76.9546051	1.20
80.99327087	0.91
83.03120422	0.31
84.98472595	0.30
90.96578979	0.46
92.97122192	0.51
95.12814331	4.00
97.07336426	0.53
98.99221802	0.38
103.0473328	1.80
104.7623291	1.65
106.0358124	0.54
107.0486908	0.94
108.9528961	2.11
110.9009705	0.44
114.9418488	0.86
119.0304718	0.37
121.0265045	1.60
122.9412079	1.21
124.9567871	0.74
126.0556335	0.32
127.0457001	1.11
128.9059143	11.18
129.8507538	1.12
133.0185089	4.09
135.1129761	1.54
136.8572998	3.40
139.1867065	0.96
140.9574127	4.01
142.8808594	0.16
145.0717468	0.42
146.9557953	1.95
148.9684143	1.44
150.9416809	59.34
151.91716	6.01
153.1038666	0.65
154.087326	1.12
155.0583954	1.41
157.0230713	1.16
159.2029877	0.77
161.044754	1.97
162.0925598	0.14
163.3482971	0.27
164.9247284	2.52
166.005722	0.27
166.9992371	2.00
168.168457	0.56
168.9551544	3.29
171.0494537	0.51
171.8102722	0.33
173.0267029	0.57
175.1996002	1.38
177.0563354	1.13
179.1343842	2.32
179.9151306	0.33
181.1816559	0.32
182.2140503	0.36
183.0857849	0.87
184.972641	0.60
188.9525299	1.43
191.2624969	0.50
193.1378937	2.75
194.0523224	0.57
195.1121368	3.29
196.9589386	3.38
198.2076569	0.57
199.0301056	0.62
205.0440216	1.38
207.1224518	4.24
209.0856476	2.19
211.0563812	4.71
211.8650055	1.06
213.0815277	0.40
217.1331329	5.86
221.0187683	0.44
225.0692291	12.28
226.0832672	2.04
230.0287323	0.81
235.1708832	21.37
238.0323944	11.49
238.9288177	1.28
243.8367462	0.50
244.5442047	0.84
253.0904541	100.00
254.1137848	18.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	308.0986
Annotation	O-Acetylneuraminic acid
Peak:m/z	Relative Intensity
89.0146561	0.03
101.0809555	0.10
112.9852219	0.06
115.0370102	0.05
116.1968994	0.02
118.9406586	0.05
127.9321594	100.00
130.9548645	0.02
132.9906616	0.18
134.0464172	0.10
135.1036682	0.09
142.5003967	0.02
143.1579590	0.03
149.0360413	0.07
159.2165680	0.03
160.8747406	0.10
161.8828735	0.09
162.8739319	0.05
172.9945984	0.07
173.9958954	0.12
177.0040283	0.01
179.0064392	2.04
191.0288391	0.01
198.0113220	0.02
217.8113708	0.05
220.2109375	0.02
232.6035767	0.03
235.1903687	0.06
248.0173340	0.11
254.2191162	0.14
255.1215210	0.11
256.3571472	0.04
272.1206665	0.17
280.0984192	0.04
289.2659912	0.02
290.2584229	0.08
291.2445068	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2497
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.90905762	0.05
100.9709015	0.04
102.9680634	0.10
106.9939575	1.47
109.0990601	2.25
110.9356842	0.12
115.0794983	0.03
116.9805756	0.31
119.0975723	0.20
120.9559631	4.79
123.0729828	1.32
124.9451675	0.34
129.0361176	0.25
130.9972687	0.69
133.0594177	1.59
135.0396881	4.51
135.8499756	0.03
137.1064148	0.54
138.9788818	0.25
139.9639893	0.02
140.9470367	0.11
143.0015106	1.21
145.0306702	0.23
146.9928894	1.17
149.1094513	2.44
151.1193848	0.75
152.0008545	0.05
153.0804749	0.14
155.0334625	0.25
157.0806274	3.08
159.0101776	0.91
161.0917053	0.59
163.1283875	0.92
164.4525757	0.22
165.1049194	1.11
166.2652893	0.06
166.9866943	0.50
169.0085297	1.24
170.07547	0.06
170.9905701	0.81
173.0840454	2.42
175.0658112	0.23
175.7225494	0.05
177.2572479	0.26
179.1460419	0.42
181.1441345	0.23
183.080307	1.18
183.8989258	0.04
185.1651001	0.44
186.9928589	1.96
189.1458588	0.25
191.1919861	0.61
193.0636902	0.40
195.1773987	0.21
196.5875549	0.48
197.2505188	0.62
199.1404266	0.05
201.0639038	0.39
203.1976929	0.73
205.1847992	0.76
207.2527466	0.12
208.9623413	0.22
211.1354065	1.18
213.0311584	0.20
215.1443176	0.77
217.20578	0.80
219.1091919	0.65
221.2790222	0.19
223.2219238	0.24
225.3374634	0.11
227.3683472	0.18
229.0994568	0.75
230.3768921	0.26
231.1741333	0.72
232.9185486	0.27
235.0552063	0.19
239.2192383	0.03
240.0494995	0.09
241.2098083	0.10
243.2239685	0.08
245.180481	3.57
247.2684326	9.95
248.5175171	0.12
249.3207397	0.11
251.2999268	0.23
252.9598999	0.46
255.2283936	0.22
257.1317444	0.93
259.1420898	1.62
261.2041016	0.12
263.0543213	0.08
265.2802734	0.03
267.0737915	0.31
269.2183228	0.13
271.3878784	0.34
272.8679199	0.21
273.4761047	0.08
277.0684204	0.18
279.2453003	0.46
281.1959534	0.23
283.0731201	0.16
285.2073975	0.14
287.1780396	0.47
289.1370239	0.07
292.5746155	0.04
295.347229	1.27
296.0734253	0.05
297.2105103	0.28
299.2999573	3.67
300.2160034	0.07
303.1542053	0.07
305.2209473	3.42
313.3121338	0.90
323.2329712	100.00
324.1543579	0.76
325.2667236	0.12
340.1900024	0.18
341.0956421	1.27
349.4481506	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.87527466	0.09
105.0730133	0.31
107.0019455	1.30
108.9769058	1.83
111.109642	0.41
112.8447571	0.26
117.1309128	0.14
121.0572128	4.86
123.1315613	1.85
125.231842	0.19
126.7609253	0.21
131.0601501	0.51
133.02005	0.26
135.032547	5.72
136.2536469	0.23
136.9876709	0.52
139.0637512	0.10
142.8300018	0.40
147.0448456	2.06
149.0651245	3.52
151.1261292	1.22
152.9548645	0.24
153.9685364	0.24
155.1993408	0.11
157.065155	1.56
158.9691467	0.80
160.9516602	1.86
163.0514679	0.58
165.0533752	0.67
166.0535278	0.06
166.9920044	0.33
169.1239166	1.56
171.1734619	0.65
173.0384979	1.19
174.9213257	2.08
177.0046234	0.56
179.088974	0.43
181.2220917	0.60
183.0367432	1.69
187.0081787	1.31
188.9619751	0.43
190.3150787	0.17
191.1791992	0.66
193.2435608	0.17
195.1786652	0.23
196.9164429	0.70
199.0331421	0.33
200.9471588	0.84
203.0664978	0.54
205.1287231	1.40
207.8657837	0.09
209.2024536	0.90
211.0487976	1.98
213.0027771	0.18
215.1665039	0.53
217.1069946	1.87
219.2315674	0.92
223.3216248	0.78
227.1555786	0.81
229.0927124	0.51
231.1109924	1.95
237.2312622	0.43
238.1838684	0.10
238.9820557	0.22
241.2044678	0.39
243.4309998	0.09
245.3093262	3.02
247.2200012	4.34
248.8257751	0.75
250.223175	0.08
251.2975769	0.15
252.0625916	0.29
253.2882385	0.50
255.0231934	0.21
255.8410339	0.22
259.2686462	0.30
261.4249878	0.06
263.0938721	0.14
265.2201843	0.13
267.0137329	0.39
268.2255554	0.22
269.2091675	0.32
271.2255859	0.26
274.012207	0.21
277.4129944	0.17
281.30896	0.07
283.1911621	1.60
285.3879089	0.51
286.2239685	0.20
287.1995239	0.83
295.1283569	0.82
295.7769165	0.19
297.2009583	0.49
298.6420288	0.91
299.4095764	0.98
300.2265015	0.07
303.4866333	0.32
305.2459717	3.23
310.2881165	0.05
311.7953186	0.19
313.1603394	0.92
314.2204895	0.14
319.2021179	0.22
323.2431335	100.00
324.2500305	0.18
325.0093384	0.14
341.4171143	0.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	183.09
Annotation	Allitol
Peak:m/z	Relative Intensity
53.0467834	0.06
59.7739563	0.06
60.9207573	0.04
68.8671341	3.29
76.6604691	0.02
81.0346298	0.27
83.0543747	0.36
83.7209930	0.05
85.0288544	0.41
86.8856201	0.36
88.9728851	0.19
91.0485535	0.29
95.0451965	0.10
97.8002472	0.08
98.9383392	0.36
100.9286041	0.11
105.0348358	1.21
108.7992859	0.32
110.9808655	1.90
113.1660614	0.16
117.1140747	0.12
119.0436859	0.05
121.0629578	0.04
123.0315094	1.05
123.9922028	0.06
125.1911621	0.12
126.8752594	0.28
128.9329376	12.94
134.0935669	0.14
137.1252594	0.39
138.1713715	0.20
139.0274048	1.78
139.9107819	0.54
141.8654327	100.00
143.3858185	0.15
145.6374054	0.29
146.8981323	43.13
147.5006256	0.05
150.9402466	0.24
154.9103699	0.41
155.9597626	0.04
159.7220154	1.49
161.8412781	0.31
162.4804077	0.52
165.0097656	90.22
166.0080719	0.97
171.0027771	0.13
171.8113403	0.10
173.8574829	0.46
174.4781189	0.09
183.1330414	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	420.131
Annotation	Unknow
Peak:m/z	Relative Intensity
126.7428055	0.03
141.1353149	0.03
146.9051971	0.04
151.2440491	0.11
156.0910034	0.11
165.7042236	0.04
167.1230316	0.04
173.8161926	0.02
175.4232178	0.03
184.0139465	0.57
190.9743195	0.03
195.1571045	0.02
230.1160278	0.12
235.0456238	0.01
239.0887451	0.02
240.0488892	0.07
258.0426025	100.00
258.8369141	0.01
260.5938110	0.02
263.9092407	0.06
269.3802490	0.01
270.4563293	0.06
273.0128784	0.06
288.1422119	0.16
293.3456421	0.04
306.8896790	0.06
329.0168457	0.06
329.9670410	0.02
331.4111633	0.03
332.3669434	0.10
339.4313354	0.01
353.5241394	0.07
358.5139771	0.03
372.1725159	0.11
374.3207397	0.14
375.5466614	0.03
376.1563416	0.18
377.0547485	0.11
379.2637329	0.28
385.4137878	0.02
388.0325928	0.06
388.7774048	0.03
390.2344666	0.04
393.2876892	0.05
402.2936096	0.48
403.3396301	0.02
405.1169434	0.04
413.3157043	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	326.09
Annotation	Unknow
Peak:m/z	Relative Intensity
95.0861359	0.11
97.0075531	0.03
99.7686157	0.18
101.0697479	1.46
106.7794647	0.09
113.0127411	2.89
119.0344009	2.26
125.1155090	0.08
127.9341736	0.09
131.0126038	1.57
143.0780182	3.93
146.0047455	100.00
148.8075409	1.17
161.0345154	2.45
164.1115112	0.06
170.1162415	0.11
179.0269470	35.37
193.8759308	0.04
196.8447571	0.20
204.0537415	0.09
208.0459900	0.09
217.4618530	0.05
232.2318115	0.09
235.8720703	0.10
240.2437439	0.08
252.2006836	0.18
253.0412598	0.10
254.1481018	0.79
265.4679565	0.06
279.9384766	0.45
281.3916931	0.12
282.2142029	0.80
307.3518982	0.20
308.5053101	0.20
326.3665771	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.04
Annotation	Caftaric acid
Peak:m/z	Relative Intensity
102.9359589	0.65
113.0439453	0.26
130.9673157	0.85
135.0896301	2.61
148.9371948	100.00
178.9913330	57.86
194.3632965	0.01
249.4149170	0.06
266.8933411	0.72
282.6204834	0.02
293.1962585	0.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	581.1509
Annotation	Polygalaxanthone V
Peak:m/z	Relative Intensity
163.0589294	0.09
179.1807556	0.16
186.8125000	0.05
189.0830688	0.04
191.1069946	0.09
192.9454956	0.15
203.1909332	0.11
207.2403107	0.24
219.1456604	0.63
231.0091858	0.09
237.1711121	0.08
245.1752014	0.13
261.2194519	0.08
262.9786682	0.09
265.4550171	0.16
272.6404114	0.06
279.1167603	0.99
293.2239990	0.08
297.2001953	0.67
315.2153320	0.44
325.1200562	0.12
345.8915405	0.07
347.2766113	0.21
362.0458984	0.21
363.5594482	0.13
368.0487061	0.16
400.8947144	0.04
403.5336304	0.17
413.0426636	0.75
425.3294678	0.12
429.6339111	0.05
430.2452393	0.07
435.2744751	2.83
443.1572266	100.00
444.1107178	4.45
444.7667236	0.11
447.1089478	0.13
449.2354736	0.13
452.3173218	0.17
461.2590942	25.28
462.2909546	0.92
479.0277710	0.21
491.2772217	0.05
493.3286743	0.12
494.2982788	0.16
518.3937988	0.11
525.2276001	0.32
525.8661499	0.13
534.8901978	0.46
535.5229492	0.12
549.2962036	0.17
562.6428833	0.28
563.6777344	0.16
566.4351196	0.24
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
112.0373535	0.02
114.5089569	0.02
122.8347321	1.94
129.1221466	0.01
137.0217896	0.01
138.4949951	0.02
206.7958069	100.00
216.2073975	0.01
232.1776733	0.01
245.1240540	0.01
272.1436157	0.05
273.3485107	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	179.06
Annotation	D-Hamamelose
Peak:m/z	Relative Intensity
59.0137405	7.46
70.8935852	9.85
72.9205933	0.10
74.9739075	0.98
80.9294586	0.29
82.8093643	0.30
87.0006714	14.77
88.8552856	93.48
96.9937286	0.22
97.9642334	0.10
98.8493805	0.67
101.0434418	16.74
104.4156036	0.07
106.0919342	1.72
106.8539124	8.52
113.0330963	25.42
114.9086761	1.01
117.0032806	0.30
118.9348145	44.85
124.9486084	7.55
129.0184631	0.19
130.9641418	26.27
134.1890869	0.19
142.9636078	100.00
148.8390808	16.14
160.8890991	79.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.286
Annotation	Gypsophilin
Peak:m/z	Relative Intensity
196.9204712	0.10
313.2899170	0.12
315.2822876	0.05
324.9086914	0.19
345.2022095	0.14
359.0739746	0.26
361.2021484	0.09
373.1342163	0.33
385.0289307	0.37
400.9659424	0.08
403.1397705	0.60
410.5468750	0.04
415.3715210	0.09
423.0307617	0.23
426.9688110	0.11
429.3432007	0.07
432.9995728	0.22
445.4069824	0.09
478.1048584	0.10
503.8878784	0.04
505.8903198	0.06
519.3653564	100.00
520.9998779	0.10
528.6517334	0.07
531.0717773	0.04
535.5249634	0.11
542.1027222	0.14
546.6919556	0.27
547.5455322	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
187.2971191	0.05
188.1202698	0.08
201.1955719	0.16
211.1031799	0.13
249.0784912	0.42
254.1710968	0.06
257.2181702	0.66
262.7696533	0.09
286.8865356	0.11
301.2843628	0.65
303.0504761	100.00
312.6519165	0.15
356.8128662	0.19
361.2935181	0.23
383.6449585	0.14
399.3391113	0.13
449.0742798	0.10
465.2892456	0.23
485.1828003	0.10
488.9787598	0.09
497.0444946	0.26
520.8069458	0.07
523.2871704	0.18
530.539978	0.19
546.6878052	0.28
551.3095093	0.07
555.0465088	0.05
564.7820435	0.28
567.6897583	0.03
593.2307739	0.85
594.4001465	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	522.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
149.0699463	0.08
179.0680542	1.71
180.1631012	0.38
220.8438110	0.16
251.0855713	0.09
280.9675903	0.19
323.0180664	0.39
324.1734619	0.06
339.2678223	0.22
341.1171265	100.00
360.2322388	0.54
400.3208618	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	726.181
Annotation	Unknow
Peak:m/z	Relative Intensity
225.2529602	0.03
229.0291138	0.16
243.1763306	0.04
247.0369110	1.60
257.3251648	0.11
258.2157593	0.02
259.1315308	0.22
260.7238770	0.07
271.0496216	1.55
275.2206421	0.09
287.1581726	1.19
289.0453796	5.93
295.1210022	0.24
298.7944031	0.16
301.1419678	0.73
313.2268066	0.19
340.9844971	0.22
391.1447144	0.09
393.3430176	0.11
395.3066406	0.05
397.2496948	0.36
407.0906982	0.18
409.2075806	4.86
419.0209351	0.07
423.3281250	0.08
425.0305786	5.28
425.6680908	0.10
426.6866455	0.11
433.2816772	1.73
437.3123779	0.64
438.0518799	6.14
439.2611694	0.06
447.3482056	0.13
449.2819824	0.39
451.1597900	2.47
451.7619019	0.05
455.6560669	0.08
463.1458130	0.04
508.2841797	0.03
529.1070557	0.03
530.9337769	0.23
541.2380981	0.23
545.5880737	0.04
555.9199829	0.06
559.1430054	6.24
563.4274292	0.13
564.2218018	0.10
575.5771484	0.11
576.9977417	100.00
577.6857910	0.36
644.8349609	0.32
687.7367554	0.14
707.5204468	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	329.0513
Annotation	5-Hydroxydantrolene
Peak:m/z	Relative Intensity
101.1674118	0.39
102.9510193	0.85
110.8134918	0.08
112.9860306	3.10
123.1827621	0.16
130.9800873	1.10
132.8924866	0.49
134.9905701	100.00
148.9145813	69.33
154.8390198	0.31
160.9640045	0.35
172.9457703	2.23
174.8269043	0.05
179.0533142	5.69
181.0303345	0.13
183.1294403	0.05
190.9662933	0.33
192.2624817	0.05
195.0814514	0.66
196.1577911	1.24
196.9574280	7.40
217.0024109	0.13
218.9528809	0.10
222.1434631	0.09
228.0835876	0.11
229.0132446	1.19
230.9977112	0.06
241.1244812	0.21
254.9961243	0.22
256.9627380	0.24
266.9880371	3.20
267.6176453	0.19
268.9257202	0.77
283.2287903	0.47
285.1080627	0.13
293.2229614	0.12
300.3839722	0.06
301.2404175	0.05
309.0145874	0.10
310.9926147	30.67
311.6231384	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
172.9198914	0.36
213.3051758	0.08
219.0155487	0.14
246.7751465	0.12
257.1605835	0.74
287.2432861	0.98
291.1011963	0.33
301.1783447	0.58
303.0576172	100.00
303.9069824	0.96
339.0067749	0.06
449.0827026	0.22
470.6213989	0.29
482.2813721	0.08
515.1906128	0.07
545.4024048	0.35
584.0703125	0.12
586.1661987	0.31
593.6621704	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.1534
Annotation	Losartan
Peak:m/z	Relative Intensity
149.0544434	0.07
156.9945984	0.03
174.6145172	0.12
188.9949036	0.06
196.8328552	0.15
200.8649597	0.07
219.0569153	1.52
241.0867310	0.18
247.2021790	0.05
253.0750122	100.00
257.3466492	0.07
260.9949646	0.05
262.8752136	0.05
285.1340332	0.05
289.2681274	0.15
295.0552673	0.04
307.2041016	0.17
321.1631165	0.10
325.3666077	0.44
333.2110291	0.07
339.2008667	0.10
341.1787109	0.20
343.2779541	0.14
357.2592773	0.52
359.4022827	0.08
363.9578247	0.04
375.0791321	1.21
377.1384583	0.23
385.2306519	0.88
393.4724426	0.06
402.6557007	0.18
403.3204346	0.17
418.3869934	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	280.08
Annotation	4-Hydroxyphenylacetylglutamine
Peak:m/z	Relative Intensity
99.9878082	0.05
113.7040634	0.07
121.0354614	0.04
124.8880005	0.05
130.0491180	0.07
161.8544617	0.06
164.0565186	4.60
215.9771729	0.07
226.0198364	0.04
233.5000000	0.12
234.1196899	0.38
235.2260437	0.04
236.1367493	0.40
237.2963257	0.04
238.4130859	0.11
244.0468445	11.33
252.2444763	0.16
262.0438232	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.1426
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
171.0316772	0.22
188.9561615	0.45
207.1194611	0.19
227.1291809	0.19
240.9898682	0.18
259.2710876	0.13
287.055481	100.00
360.8618774	0.30
409.0877075	0.18
415.1539307	0.12
419.3215332	0.18
431.9813232	0.15
432.8845215	0.25
435.4550781	0.08
437.1036377	0.09
465.3898315	0.22
513.8709717	0.46
554.1672363	0.11
559.1655273	0.13
565.1279907	0.26
577.0967407	0.26
577.7047729	0.20
578.9033813	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1524
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
229.334259	0.16
238.888092	0.27
257.2241821	0.40
271.1371155	0.21
274.2376404	0.11
284.9849854	0.97
302.1264343	4.42
303.1575928	3.16
314.1105347	0.27
317.0616455	100.00
318.1026001	89.39
318.7981262	0.59
390.1641235	0.15
464.324707	0.31
479.3858032	0.11
522.324646	0.15
530.513916	0.37
534.5339355	0.55
536.0770874	0.32
547.9700317	0.06
580.2711792	0.22
607.781189	1.32
626.5822754	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1525
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
201.1014252	0.16
203.1856689	0.08
217.0593567	0.07
237.2062988	0.30
257.1387634	0.30
274.172821	0.45
276.5379639	0.10
281.4110107	0.14
295.1648254	0.31
301.0991211	0.31
301.9697876	3.59
317.0629578	100.00
317.6885376	0.36
325.399292	0.08
343.4510498	0.40
357.4718018	0.28
359.3328247	0.07
375.0698242	0.09
418.3096313	0.34
444.5749512	0.17
462.9213867	0.08
490.357605	0.13
512.3468628	0.38
515.531189	0.05
534.7960205	0.08
564.1137085	0.09
568.7446899	0.13
569.4367065	0.10
589.6290283	0.28
593.5950317	0.10
606.4318848	0.29
607.4075317	0.63
608.4414673	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	288.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
82.9629288	0.03
86.9431000	0.37
87.8618088	0.14
90.9471817	0.93
92.9399109	1.62
97.9345932	0.05
100.9601364	0.13
104.9563904	2.72
106.9422150	28.97
107.5439606	0.08
108.6354523	0.03
114.6913528	0.03
116.1702194	0.11
119.9966736	0.09
120.9980164	4.64
121.9735718	45.57
123.1385651	0.03
125.0311508	1.28
131.0174255	3.65
132.1815796	0.03
135.1529236	0.04
139.0427094	0.09
140.8732605	0.16
142.1931763	0.05
143.7353516	0.10
148.9985657	57.92
149.9780579	0.09
167.0389252	100.00
174.8651733	0.07
176.1724701	0.13
177.0313721	0.20
180.0246124	0.03
180.8777313	0.32
199.1266479	0.22
200.0289612	0.16
204.0215454	0.05
206.1868286	0.06
216.9403381	0.07
218.1203003	0.38
223.9971008	0.22
225.0069275	0.12
226.2805786	0.13
228.0363770	0.69
229.4854431	0.07
230.9376526	0.08
239.0249329	0.28
242.2243958	1.25
243.0529785	0.07
244.2520142	0.08
246.9958496	0.34
252.1915283	0.06
252.8851624	0.19
253.5692139	0.06
257.1478882	0.18
258.0101318	0.11
259.9967651	0.19
260.9791260	0.03
269.6601562	0.83
270.5693665	9.25
271.4485474	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	733.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
202.1530151	0.02
204.0870667	0.09
217.9330597	0.01
237.1363068	0.13
246.0540466	0.21
249.2092743	0.01
256.1561890	0.01
257.8438110	0.05
366.1579590	100.00
366.7593384	0.13
483.3426514	0.01
552.3312988	0.01
567.3283081	0.06
569.2315063	0.01
652.0871582	0.04
703.2983398	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	386.15
Annotation	Unknow
Peak:m/z	Relative Intensity
111.2220306	0.08
122.0184555	0.09
128.0600891	0.10
135.0258789	0.17
137.0873718	0.08
145.1086426	0.09
147.7639465	0.30
149.9430542	0.21
163.0103912	0.22
173.3670349	0.30
175.2303772	0.10
181.0587921	0.10
186.1983032	0.14
190.9733887	10.64
196.3580322	0.20
205.9605713	0.69
207.2844849	0.65
224.3416443	0.08
232.2512207	0.21
235.1202698	0.28
236.9539490	100.00
243.0191956	0.06
244.1554871	0.18
253.9288330	0.72
272.1148071	0.38
273.7737427	0.38
277.0604553	0.26
278.0730896	0.46
283.1481323	0.32
286.0769348	0.54
288.4934082	0.15
295.0075684	0.64
295.9933167	0.45
297.2336121	0.08
300.2857666	0.19
301.0802612	0.27
306.0271912	0.34
307.2195740	0.15
323.3353882	0.20
327.2673950	0.07
327.9750061	0.07
335.8265381	0.34
340.3902893	0.22
340.9942932	0.14
344.8181152	0.62
350.0869141	0.59
351.1653137	0.47
356.0350647	0.09
358.5221863	0.06
361.2663269	0.22
368.0522766	6.38
368.9946899	2.17
369.7161865	0.20
376.5778198	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	336.1086
Annotation	1H-Indol-3-ylacetyl-myo-inositol
Peak:m/z	Relative Intensity
100.7909393	0.04
113.0042114	0.07
115.9620895	0.22
128.0247650	0.17
128.9556580	0.05
130.0458679	0.15
131.0877228	0.05
142.0912170	5.89
144.1083069	0.07
148.9167480	0.36
157.9763184	1.13
174.0915680	0.09
186.0231934	31.65
187.7777100	0.06
194.1032715	0.02
200.1866302	0.17
204.0329590	100.00
205.1325836	0.21
207.0603027	0.17
212.2622986	0.12
216.3009949	0.11
218.1109619	0.17
219.2788086	0.06
239.9468994	0.02
246.1783447	1.06
258.2851257	0.03
272.2901917	0.10
275.2793884	0.02
275.9958496	0.04
282.0979004	0.02
290.1699219	0.05
292.1156616	0.13
299.5733032	0.02
300.2915039	0.11
318.0216675	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	298.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
84.9082794	0.33
97.0859451	0.03
98.7898560	0.27
108.8293457	0.03
115.9713669	0.03
119.9257660	0.13
126.8843765	1.43
144.8677063	5.29
146.9764099	0.13
159.9299622	0.05
160.7821503	0.06
162.8666229	10.71
189.8805695	0.47
191.3079529	0.10
198.9841309	3.01
199.5996704	0.03
200.7135925	0.03
207.9541321	49.63
209.0135498	0.33
209.7762451	0.11
211.1325684	0.05
212.2596130	0.07
214.8308716	0.11
216.7170105	0.17
234.8217773	0.59
244.0549011	0.02
246.9494934	0.08
252.9119263	0.28
254.0374451	0.15
256.1046143	0.16
262.1544189	0.05
268.2690430	0.18
271.0509033	1.15
271.6915283	0.12
273.9927063	0.10
280.0193481	23.67
281.0804443	0.20
281.7260742	0.08
282.6993103	0.04
288.9646301	100.00
289.6115723	1.71
290.4635010	0.39
291.2352905	0.07
291.8473816	0.07
293.3777466	0.11
294.2424927	0.02
295.7429810	0.03
298.2931519	0.05
306.9916687	1.14
323.2068481	0.05
324.8587952	12.53
325.5134583	0.03
336.9320068	0.07
349.1563416	0.03
354.9026794	2.91
370.0037537	0.09
379.1136169	0.23
395.0089111	0.02
396.9867859	3.26
413.1183167	0.24
414.9418335	21.47
416.2200012	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	304.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
87.5548019	0.05
90.8108673	0.15
101.8693695	0.03
102.7838440	0.07
104.9713440	1.98
110.8918457	0.04
116.9585419	0.03
119.0043945	2.33
121.8542938	11.79
123.0021973	0.41
129.2717133	0.05
133.1042633	0.09
146.9906006	0.56
147.9476013	0.02
159.0478363	0.09
162.2629852	0.03
164.9750366	28.28
169.1260529	0.09
182.8248596	0.56
184.0212402	0.03
187.9409485	0.06
192.1920929	0.09
197.1260071	0.04
198.8614502	0.30
202.8915405	0.04
208.1088257	0.12
213.1480103	0.06
214.3020935	0.10
216.9363098	0.06
218.2399292	0.69
219.0229187	0.03
224.9208984	0.14
226.3356323	0.03
228.1912537	0.05
232.3534241	0.06
234.2434998	0.21
241.0388489	0.07
241.9043884	0.05
244.0262756	0.13
248.4212036	0.03
250.7011414	0.04
255.1091309	0.23
257.9707031	0.32
260.0067749	0.04
262.7091675	0.52
268.7965088	0.50
273.0543213	0.02
276.1175232	0.11
277.4716492	0.05
280.8776855	0.05
283.2716675	0.32
286.0641479	100.00
287.1003723	0.25
295.2247314	0.05
296.3781128	0.07
306.7058411	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	579.1469
Annotation	Apigenin 7-(4''-Z-p-coumarylglucoside)
Peak:m/z	Relative Intensity
173.1999054	0.16
197.0376587	0.19
198.8391876	0.07
225.8040771	0.06
242.965683	0.07
247.2856293	0.07
271.0622559	100.00
287.1130981	0.05
291.4047852	0.03
301.2860718	0.09
309.1033936	0.10
315.1190796	0.09
331.2717896	0.15
341.121521	0.11
344.1520386	1.44
344.7738037	0.35
348.817627	0.11
386.7042847	0.07
399.489624	0.07
415.9780273	0.17
417.381958	0.56
424.9003906	0.82
427.3582764	0.06
441.326416	0.21
448.8378906	0.23
450.1452026	0.03
483.2563477	0.14
493.1689453	0.20
498.0892334	8.71
498.7490845	2.19
503.1915283	0.12
512.0361328	0.03
512.7737427	0.05
515.3799438	0.18
547.4598389	0.03
560.9906616	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.09
Annotation	6-Methylflavonol
Peak:m/z	Relative Intensity
77.05421448	0.63
79.01000977	0.28
80.84027863	3.49
83.15214539	0.22
84.91744232	0.80
89.1078186	0.50
93.01469421	0.30
94.91043854	5.74
97.07394409	1.91
99.07374573	0.43
103.0497284	4.78
103.8960266	0.31
104.9534607	2.89
106.9364014	0.52
108.9872284	4.96
110.8752289	1.58
115.0285339	2.52
116.9163971	0.34
118.7841339	1.54
120.9284668	0.96
122.9879761	6.28
125.0455475	2.38
127.0989532	4.04
128.9391022	8.17
130.1221771	0.28
131.2531433	0.71
133.1231384	1.96
134.9382019	0.80
136.9963837	1.76
138.9007111	1.69
140.8723755	2.93
147.1802521	3.68
148.5339813	0.41
150.9688568	67.13
151.9791107	3.36
153.0377655	0.30
154.0929871	0.50
155.0852509	2.21
157.0599365	0.44
159.3549957	0.20
161.1412964	0.88
163.1830292	0.69
163.8889313	0.28
165.0900726	0.56
166.925705	2.47
167.9620972	1.12
168.9044037	8.31
170.9603119	1.35
172.8330231	1.21
174.8852234	2.56
176.9889679	3.43
179.0070496	2.10
180.0836334	1.17
181.0155334	1.07
182.2129974	1.14
183.0311127	2.95
185.1943207	0.32
187.1451569	1.27
187.8587036	0.32
188.7598724	0.44
190.8908539	1.14
193.0641785	4.38
194.0781708	1.94
195.1800079	6.59
197.0834198	27.23
199.3021393	1.22
201.3340912	0.71
205.0991364	0.22
206.7996063	5.29
208.961319	5.77
210.0364838	1.47
211.1141205	9.78
211.9318085	0.73
217.1566467	15.87
222.654953	0.72
225.01091	12.57
226.2098236	1.16
235.1453857	37.66
236.1772919	0.61
236.989975	0.41
238.1301117	9.66
239.121109	0.56
243.9075928	2.07
251.3324585	0.50
253.0773926	100.00
254.1384277	11.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	302.3045
Annotation	Sphinganine
Peak:m/z	Relative Intensity
95.04892731	0.57
97.13801575	0.38
106.9496231	0.13
109.0080032	0.44
111.0335999	0.39
121.0402222	0.03
123.0795593	0.58
125.065239	0.05
127.0080643	0.03
131.0225372	0.02
137.1681671	0.20
141.1006165	0.04
148.0861511	0.16
151.1376038	0.03
151.7980347	0.04
153.3112946	0.03
156.7704468	0.13
160.0464935	0.05
165.2453918	0.04
169.0453186	0.02
169.8255157	0.06
171.2198639	0.08
179.2331238	0.04
185.9380341	0.04
189.2739258	0.02
191.0641479	0.02
192.2056274	0.01
193.108017	0.15
197.0593262	0.01
198.2283936	0.05
200.1497498	0.22
204.9371948	0.05
207.1311646	0.09
208.0821838	0.08
211.3005676	0.12
212.3342896	0.23
213.0419006	0.15
215.1408691	0.03
216.8179321	0.10
218.4478149	0.03
221.0019531	0.18
223.1621399	0.01
224.2259827	0.06
228.3007507	0.02
229.125061	0.06
232.2774658	0.05
240.3814697	0.48
241.0479431	0.09
242.9840698	0.16
245.1147766	0.03
249.1004028	0.07
251.0758057	0.05
253.2411804	0.74
254.5449219	0.15
256.1334839	0.10
257.0730591	0.04
259.4010315	0.11
261.1684265	0.17
266.2499695	4.67
267.3129272	0.34
270.978302	0.50
272.2495728	0.14
275.361908	0.16
282.3410034	0.04
284.2873535	100.00
284.9953613	1.11
293.1683044	0.16
300.2984314	0.08
301.88797	0.08
302.9563599	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	quercetin 3-O-(3'-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
183.0309296	0.20
191.0625	0.21
202.2030029	0.09
211.1994019	0.33
215.0644836	0.11
229.0909729	0.57
247.1405334	0.12
257.1513062	0.16
271.0908203	0.60
283.2209473	0.09
301.0544434	0.34
303.0582886	100.00
303.6798096	0.43
309.4862061	0.13
372.5510254	0.15
383.5228271	0.12
386.3312378	0.19
399.3267822	0.24
423.1074219	0.21
430.7087402	0.23
449.3581543	0.11
473.2800903	0.56
481.2314453	0.13
537.680481	0.11
539.8214722	0.09
543.7935181	0.27
555.0722656	0.27
562.9680176	0.33
575.4171753	0.16
592.6803589	0.74
593.6129761	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	470.99
Annotation	8-Acetylcaespitol
Peak:m/z	Relative Intensity
138.9173279	0.14
169.0983429	0.32
173.0896912	0.77
175.1997681	0.44
199.1688538	0.26
240.9332428	0.04
257.1515503	1.17
258.1209412	0.14
259.0406494	11.16
291.0671692	0.56
296.1652832	0.77
297.1388245	0.10
298.7484741	0.05
302.8257751	7.06
308.9710083	1.32
333.1757812	1.84
335.2356262	0.52
341.2881470	0.44
381.1410217	0.36
385.2145691	0.91
386.6880188	100.00
387.4822693	0.55
411.0700378	0.57
424.9655151	0.96
452.6374207	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	206.0807
Annotation	N-(3-Hydroxypropyl)phthalimide
Peak:m/z	Relative Intensity
117.9506683	3.00
129.9442596	4.95
132.0052338	0.14
144.0131531	0.49
146.0824432	2.54
160.0416718	62.27
162.8555603	0.03
169.9417877	3.77
178.1048584	0.03
182.6232147	0.04
187.9871063	100.00
206.22612	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.28
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
140.2242126	0.01
153.0592804	0.08
168.1238251	0.06
196.0987244	0.26
214.0303497	1.67
253.5697021	0.04
261.3056946	0.14
279.2359924	100.00
279.8444214	0.40
325.2259521	0.02
338.6976929	0.05
342.4689331	0.03
404.3981934	0.03
448.1206055	0.02
458.2994995	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.07
Annotation	naproxen sodium
Peak:m/z	Relative Intensity
72.96981812	0.47
79.02059174	1.15
82.94764709	1.59
88.86099243	0.37
92.9043045	1.66
96.84634399	1.40
123.226944	0.33
136.6107941	1.00
143.0496368	0.46
161.0182648	0.59
166.9074554	1.37
169.0330353	1.88
173.2329254	0.37
178.1786804	1.69
179.2691345	0.68
181.1822968	4.02
183.0630951	1.66
185.0245972	0.82
189.0730591	2.73
190.8181763	2.61
195.0616913	3.33
197.1412811	0.55
203.2565765	2.07
204.9728088	1.13
206.1505432	0.70
207.0930481	14.45
208.1915131	5.57
209.1914215	13.47
222.2445831	1.88
223.2228546	1.74
224.3300018	2.28
233.0586548	8.79
234.2852783	1.50
251.0760956	100.00
252.120224	12.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.2781
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
135.0248718	0.04
139.935791	0.18
150.2275543	0.01
153.1875763	0.04
196.1148224	2.10
214.1008453	1.36
255.2260742	100.00
272.0644531	0.09
353.0531311	0.02
378.2480164	0.04
390.2303162	0.04
391.341156	0.12
394.3964539	0.03
406.5145569	0.17
408.1154175	0.02
416.6547546	0.02
424.4223938	0.02
434.4049072	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1531
Annotation	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
183.1131744	0.18
218.0721741	0.15
224.6240234	0.24
228.210022	0.07
236.1130676	0.11
238.105957	0.61
240.0694122	0.11
246.1560211	0.39
274.0853271	1.55
286.9395142	0.14
301.3471375	0.40
301.9866333	2.91
306.9015198	0.13
317.0657959	100.00
318.1596069	0.21
340.5170288	0.18
366.4610596	0.13
374.4802856	0.16
381.402832	0.30
385.4685059	0.06
389.2022095	0.23
411.5110474	0.20
417.59198	0.10
445.3218384	0.33
462.9101562	0.30
463.8916016	0.13
477.2984009	0.16
487.5901489	0.26
564.2390747	0.22
566.3629761	0.14
567.3911133	0.05
572.9225464	0.33
593.3936157	0.33
598.5130005	0.30
607.3961182	1.13
625.9100952	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
136.728714	0.09
164.9407654	0.25
169.2073059	0.30
171.0989075	1.06
173.184021	0.45
178.8404846	0.73
185.0680847	1.14
186.9880981	1.45
195.2574615	0.23
198.9525299	0.60
200.1306	0.85
201.1803436	0.45
203.1358185	0.18
213.0494385	1.12
215.0431824	1.64
216.9683228	0.14
227.18927	0.59
229.2068481	1.89
231.2259216	2.03
239.9692383	0.18
240.9410706	0.56
241.5424805	0.28
243.2271118	0.85
245.1879578	1.14
255.1433411	2.23
257.0840454	4.08
257.7091064	0.27
263.5935669	0.15
267.3051147	0.44
269.3081055	2.28
271.2670898	2.98
273.2627258	0.67
283.182251	0.68
284.0810547	0.37
285.1258545	1.97
287.2218628	0.63
293.2807007	0.99
295.2485962	0.95
297.364624	8.48
299.2727356	0.78
301.3970642	0.53
303.18396	0.64
311.00354	2.27
313.1843262	2.67
313.9714355	0.12
315.1486206	0.90
321.0890503	1.37
321.7822266	0.17
322.7559814	0.29
323.4179077	8.09
328.0424194	0.20
329.4335327	1.26
339.2548828	100.00
339.8569946	0.52
341.200531	15.15
356.030365	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
83.25779724	0.71
84.85420227	0.55
89.02948761	0.35
96.94354248	0.52
120.9573822	0.52
137.0525208	2.09
161.0387421	2.47
179.2494659	0.36
181.0448761	0.38
186.3783875	0.49
190.9830933	1.65
193.0704803	0.42
195.0702209	1.89
203.2368622	2.00
204.984726	0.77
205.8042755	0.50
207.1257477	4.64
208.0622101	2.02
209.14711	4.86
221.0282593	1.20
222.2581329	2.03
223.0488129	8.34
233.2194977	5.88
234.2419281	1.01
234.8743896	0.65
236.3008575	0.55
251.0659332	100.00
252.195694	25.77
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	625.1523
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
204.9163818	0.14
217.2253113	0.33
228.0901337	0.25
247.2132874	0.70
255.5648804	0.18
273.9470215	0.38
275.0717468	0.92
302.0931396	3.97
303.1046753	1.64
317.0718384	100.00
318.1563721	94.77
319.1029968	0.14
387.980957	0.29
462.9887085	0.63
464.1229858	1.95
486.7807007	0.70
500.9194336	0.39
536.6087646	0.34
548.2245483	0.30
590.4087524	0.17
592.9908447	0.18
607.1481323	0.24
608.2462769	1.43
608.96521	1.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	328.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
108.0923996	0.38
108.9264450	0.17
130.8747253	0.04
136.9860687	0.97
145.9309692	0.10
153.9920502	100.00
173.0897675	6.41
281.9617920	2.34
301.6649475	0.11
302.8695068	0.29
304.3929138	0.12
309.3168945	0.16
310.0469666	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	147.08
Annotation	3-Ureidoisobutyrate
Peak:m/z	Relative Intensity
83.9297028	0.05
100.9563751	1.86
129.9428864	100.00
130.9659119	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.1432
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
183.7812195	0.16
184.9185181	0.10
189.6270599	0.26
190.2741089	0.21
212.8221436	0.11
227.3641968	0.07
255.0610046	0.15
268.1752319	0.08
269.165863	0.24
277.1562805	0.40
287.0606689	100.00
287.7874756	0.31
343.5102539	0.13
369.4881592	0.18
385.0159912	0.09
397.4472656	0.05
401.0687866	0.21
433.1854858	0.13
469.638855	0.08
497.0175781	0.08
517.0715332	0.11
549.4960327	0.13
559.3513794	0.06
577.2514038	0.94
578.4918823	0.22
583.1317749	0.29
585.6238403	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	485.187
Annotation	Unknow
Peak:m/z	Relative Intensity
142.9858856	1.21
144.9381866	3.54
157.1809387	0.13
160.9557190	2.13
162.9459686	100.00
185.3164062	0.47
191.2468414	0.13
204.3149414	0.48
205.1819458	8.45
219.7903442	0.09
225.8831787	0.27
232.8510742	0.39
234.1989136	14.33
234.9460602	34.47
246.1773834	0.14
252.9677734	2.24
263.3618164	0.34
264.8170166	35.62
265.5161438	0.27
276.9244690	2.47
289.1348572	2.91
294.9135437	3.97
307.1211548	25.76
322.9934692	0.23
324.4906311	17.10
325.1064758	96.46
331.0772705	0.30
371.1109009	1.26
411.0647888	0.61
439.1155701	0.60
441.2286987	0.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	479.1169
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
177.1420898	0.13
227.5879364	0.39
233.1600952	0.22
244.2041168	0.08
249.9628296	0.07
317.0608521	100.00
323.2137451	0.30
327.3106079	0.66
331.3310547	0.05
350.0259399	0.06
359.2884827	0.95
395.8869629	0.04
404.0623474	0.09
417.3924866	0.05
419.2431946	0.24
420.3838806	0.16
425.4358521	0.11
461.1347351	1.11
462.4798279	0.46
465.2708435	0.19
469.7447815	0.50
471.0143127	0.06
476.95401	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	595.1425
Annotation	CHEMBL448883
Peak:m/z	Relative Intensity
185.3381348	0.33
197.0259552	0.04
199.1508179	0.72
213.0672913	0.33
227.166275	0.24
231.2414703	0.39
241.4179382	0.50
245.2169037	0.16
269.2874451	0.30
287.0575562	100.00
288.1339722	0.51
289.1088867	0.49
291.176178	0.16
291.9567261	0.26
314.1816406	0.28
336.8809204	0.09
345.2940063	0.07
356.5216675	0.31
379.0219727	0.19
387.0582886	0.23
398.4058228	0.10
427.4483032	0.24
433.2480469	0.09
450.2510986	0.44
474.3578491	0.08
502.0574341	0.20
505.4688721	0.23
507.2147217	0.25
524.4048462	0.11
525.901062	0.07
540.7384644	0.43
569.3562622	0.26
573.4520264	0.50
577.2824707	1.08
578.34021	0.09
594.5775757	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
96.8427887	0.11
98.93736267	0.12
100.9451828	0.17
106.8883209	1.16
109.0626831	3.22
111.0439758	0.46
116.9177704	0.65
118.8539734	0.29
120.9888306	2.96
123.0258026	1.29
124.9731445	0.28
129.0236206	0.35
131.1895142	0.35
132.8707123	0.28
134.9171448	2.77
137.0842743	0.89
141.1987915	0.05
143.0329895	1.12
143.9808044	0.22
145.0175781	0.72
147.0089417	2.10
149.012146	2.19
150.9229126	0.39
155.1594238	0.21
156.8865967	0.98
159.0182495	0.95
161.0569458	1.65
163.2440796	1.42
165.0925903	0.59
166.1601562	0.05
167.0390778	0.66
169.1759033	1.32
171.1706238	0.08
173.1340637	1.09
174.2902832	0.32
175.1454163	0.92
177.1032562	1.10
181.035614	0.08
183.0627289	0.61
185.0621643	0.24
187.0379944	1.25
189.094574	0.68
191.1107483	0.26
195.0276794	0.63
197.09729	0.60
199.038269	0.24
201.1248474	0.52
202.9146576	0.23
204.1875458	0.30
205.2270355	0.92
206.128418	0.16
207.4613037	0.24
209.1211853	0.16
211.0951538	1.20
213.1561279	1.41
215.2085876	0.77
217.098053	0.81
219.0524292	0.29
221.322998	0.17
223.5600586	0.53
225.2379761	0.42
227.1279907	0.56
229.2991638	0.42
231.1640015	0.97
235.2020264	0.73
237.4270935	0.23
239.3605347	0.27
241.1932373	1.03
243.1784058	0.22
245.1814575	1.19
247.1417542	6.18
249.1005554	0.11
250.9254761	0.88
252.9589844	1.20
254.2643433	0.07
255.2133179	0.65
257.3534546	0.26
259.1377258	1.37
261.3962097	0.28
263.3513184	0.09
265.1260986	0.16
267.112915	0.30
268.2892761	0.22
269.1387024	1.04
271.1872864	0.52
274.3216248	0.64
275.0831299	0.12
277.4046631	0.22
279.1170044	0.20
281.3810425	0.32
283.3459167	0.45
285.245697	0.41
286.1963501	0.07
287.2602234	0.99
292.2956848	0.09
294.440918	0.14
295.362915	1.12
296.3441467	0.07
297.342865	0.59
299.2168579	2.35
300.0693054	0.14
303.1152954	0.10
305.1672363	4.77
311.0162354	0.07
313.1086731	0.62
323.2355347	100.00
324.500824	0.92
327.3935547	0.06
341.0422974	1.04
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
83.0203705	0.03
92.9079895	0.03
95.0510483	0.04
96.2926102	0.04
97.0554352	0.26
99.1575088	0.05
109.0154724	0.83
111.0879135	0.04
112.9968872	0.10
120.9033127	0.23
123.0738602	1.18
125.0383911	2.85
132.7625122	0.03
134.9383545	0.43
137.0363770	2.93
138.9425354	0.21
142.9957733	0.18
145.0690002	0.16
147.2180481	0.12
148.9939270	0.23
150.9821167	1.09
157.1678314	0.05
159.0821838	0.56
161.1270294	2.39
162.1952362	0.20
163.0477295	0.28
163.9638214	0.54
165.0929718	1.87
167.0309601	1.44
173.0732422	0.09
174.3533630	0.21
175.1481323	0.78
179.0966339	11.16
180.1831360	0.06
185.1162872	0.18
186.0310059	0.55
187.1081543	1.54
187.9850922	0.70
189.0727081	0.13
191.1903381	0.16
192.9164124	0.03
201.1898804	0.56
203.0779724	7.84
203.7188416	0.02
205.0378113	35.54
207.1683655	0.08
209.2521362	0.05
210.9561157	0.09
212.3752441	0.12
217.1888733	0.84
219.0286255	0.03
221.0697937	0.24
227.1383667	1.77
229.1642456	0.34
230.0236511	0.41
231.0709229	6.51
236.9384766	0.05
243.0332031	0.56
245.0677185	100.00
245.6705017	0.09
247.1572266	6.21
253.2420044	0.27
254.2565308	0.10
255.4800415	0.08
261.0375366	0.04
269.0448914	0.07
271.1785889	5.62
271.8042908	0.02
274.0908813	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	495.1119
Annotation	4'-Methyl-(-)-epigallocatechin 7-glucuronide
Peak:m/z	Relative Intensity
142.9145813	0.13
153.2429810	0.15
154.1411133	0.02
161.0030212	0.09
170.9796906	0.18
175.1705170	0.07
179.0118103	3.65
186.8569946	0.08
199.1083679	8.12
205.0395508	1.41
217.2367859	0.08
235.0655212	1.94
276.8272400	0.19
295.0370483	100.00
315.1923218	0.08
316.9215698	0.02
321.5997925	0.05
333.2414856	0.02
362.9006348	0.12
375.0236206	0.02
378.6411743	0.13
380.2889404	0.08
397.1326599	0.04
405.3213196	0.02
431.2758179	0.08
435.4617004	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	463.122
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
172.7252808	0.04
197.9555664	0.01
245.1208191	0.01
246.4714966	0.06
254.9193115	0.01
257.0785828	0.03
281.2927551	0.03
285.1602783	0.02
297.1306152	0.04
301.0760803	100.00
301.6781921	0.48
313.3743896	0.02
314.288147	0.05
317.4170532	0.05
325.2892151	0.03
326.2565308	0.17
327.1035156	0.06
331.1655273	0.06
342.0881958	0.03
364.9017029	0.08
369.1254578	0.02
388.2804871	0.08
389.3630066	0.03
402.4346924	0.07
417.5159302	0.02
422.3779907	0.19
434.9751282	0.05
436.0386353	0.02
445.2273254	0.02
450.1402283	0.13
462.9016418	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	318.2993
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
92.6959076	0.07
95.0547256	0.46
106.8668137	0.11
109.0008087	0.30
110.9825134	0.12
118.7877960	0.10
121.0035934	0.14
123.1074905	0.30
125.0807648	0.11
127.0227051	0.11
133.4165344	0.04
135.0931396	0.45
137.0889282	0.18
139.1838074	0.20
148.9715424	0.25
151.0315857	0.03
162.9915619	0.26
165.0148315	0.11
182.5799866	0.05
194.8821869	0.07
211.1840515	0.59
221.2025757	0.17
225.4483948	0.27
235.4808960	0.29
238.5085144	0.10
239.3076477	0.12
240.6147156	0.13
247.0437317	0.19
252.2390442	0.90
253.1038208	0.22
254.4219360	0.07
256.3425598	0.37
264.2877808	1.17
265.2869568	3.06
269.1599426	0.05
270.1561584	1.00
270.7603455	0.02
282.2795410	44.40
283.0851135	0.42
300.2583618	100.00
300.9732971	0.32
END