#DEFINITION	Reference Metabolome for Carica papaya
#IDENTTFIER	RefMeta-Carica papaya.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Carica papaya
#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 Carica papaya 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	negtive
CollisionEnergy	NA
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
91.2469025	0.02
93.0631104	0.63
94.0888672	0.02
94.9705811	0.01
97.0615540	0.07
99.1881104	0.06
100.9511032	0.53
106.2071457	0.03
107.0702209	0.32
108.0159760	6.46
108.9951553	8.43
110.0542908	0.59
113.1104736	0.38
114.1099777	0.07
119.2285843	0.02
120.9819260	1.80
122.0075684	0.38
123.0448837	1.31
124.3675995	0.14
125.0949402	0.00
129.1677246	0.02
131.1832428	0.03
133.1339111	0.22
134.0330963	0.08
135.1124420	0.70
136.0733032	0.27
137.1816101	0.07
139.2054443	0.08
143.0278931	0.01
145.0972290	0.15
145.9069061	0.02
147.0986328	0.03
147.9970398	0.03
149.1994629	0.23
151.1775513	6.72
152.1292725	39.66
152.9795532	100.00
154.0292053	6.63
157.0978241	0.03
158.8864136	0.05
160.0868835	0.01
161.0634460	0.34
163.1011658	8.95
164.9148560	15.06
166.0112152	1.64
167.1303558	0.20
170.8289642	0.01
173.5920410	0.03
175.0711975	0.45
176.0153198	0.03
177.0233154	1.08
178.0375366	0.09
179.0852356	2.45
180.3066406	0.36
181.0298462	3.22
182.1942291	0.46
183.1129913	0.25
184.1069489	0.04
187.0485382	0.06
189.0660095	0.30
190.4564667	0.05
191.1130524	0.24
192.0511169	0.04
193.1322327	1.28
194.3927612	0.61
195.1064758	3.10
196.0311737	0.32
199.1914673	0.03
200.1624603	0.03
201.1583710	0.01
203.2215881	0.03
205.0771790	0.35
206.9988403	3.93
208.0866394	0.42
208.9783020	0.02
212.3492432	0.03
213.1773987	0.01
215.2046204	0.01
216.1373291	0.02
217.1169739	0.48
218.0494080	0.05
219.1571960	1.16
220.1715088	0.12
221.1513062	0.07
223.2073669	0.01
225.0342407	7.84
226.1152344	0.82
227.2498779	0.02
228.1878967	0.05
230.2812805	0.02
231.2059326	0.05
233.0600586	0.06
234.1462097	0.02
235.0127258	0.02
237.1185303	0.93
238.1826172	0.02
239.1300049	0.04
241.1580200	0.01
243.1058960	0.09
244.1691589	0.16
249.0400085	0.08
254.0556030	0.06
255.3078308	0.05
260.9363403	0.17
267.2367554	0.13
269.2435913	0.10
271.1974182	0.11
272.1521912	0.19
279.0226135	0.01
286.3576660	0.01
297.2505493	0.62
298.1873169	0.23
315.3457642	0.04
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
87.0821686	0.06
102.6703262	0.04
114.9781189	1.04
130.9735413	1.74
146.8873444	1.00
159.0202332	10.32
174.9220123	100.00
214.9623718	0.11
216.2673340	0.06
232.9899902	0.31
243.0861511	0.19
245.0347290	27.18
245.7508545	0.04
261.0419922	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	548.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
198.1026764	0.37
206.2895966	0.05
220.1200104	1.89
221.8125916	0.11
238.1006317	0.09
245.0942688	0.23
273.9593506	0.06
282.2055969	0.06
289.5823669	0.40
291.0435791	19.40
292.1678467	0.34
308.9804382	0.66
340.2604980	0.12
346.3463745	0.11
366.1986084	2.51
368.1953125	0.18
381.2246094	1.30
382.3099976	4.90
383.2221680	100.00
384.2673340	3.42
385.3197021	3.03
386.3948364	0.59
398.9749146	0.09
400.9437256	14.09
401.6224365	0.12
427.5744019	0.09
451.1398926	0.07
461.0913086	0.13
501.4006958	0.71
503.0794067	2.82
504.0272827	0.51
512.2747192	0.09
514.2938232	0.10
519.0554199	0.05
525.2165527	0.06
528.9473267	0.15
530.4434814	0.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.077
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
92.85945129	8.21
119.1527023	0.26
137.0160217	100.00
143.1533813	0.29
144.8959351	0.94
159.2451782	0.35
173.0718689	0.26
179.0427856	3.47
184.1841125	1.23
201.391571	0.26
203.0811157	4.40
205.1529846	1.73
207.1299133	1.13
209.2107544	1.74
227.1102905	0.60
237.2180786	1.35
239.9934998	0.56
241.0714722	2.02
253.1296997	39.50
255.1102905	2.37
263.3477173	0.68
270.6750488	0.42
281.2761841	2.20
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
211.0874176	0.03
212.9042358	1.46
296.7816772	16.05
297.5175781	0.02
302.7951660	0.16
323.2408447	0.21
344.9758911	0.09
362.4710083	0.06
378.3843994	0.06
380.6593628	76.51
381.5022583	0.03
387.0250244	0.92
400.8562622	0.02
403.0754395	0.06
412.7229004	0.03
428.8793945	0.77
434.5828247	0.07
440.7888794	0.07
459.4099121	0.03
462.2666626	0.30
464.5288696	100.00
465.2125244	0.25
484.8186035	0.12
488.8629150	0.34
503.2228394	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	716.61
Annotation	Unknow
Peak:m/z	Relative Intensity
188.6388702	0.31
212.8113556	0.40
251.0151978	0.30
275.2252197	0.21
290.8738708	0.37
292.8714294	0.16
297.0042725	0.12
380.9064941	0.11
387.1203613	0.13
461.8206787	0.06
464.7407837	1.22
482.0464478	0.17
511.0933228	0.14
522.8912964	0.08
542.7040405	3.64
545.5698853	0.06
546.6721802	0.49
548.5458984	10.23
549.1971436	0.07
560.7876587	28.43
561.5497437	0.40
562.8711548	0.08
580.0448608	0.53
588.4974365	0.06
608.0413208	0.22
628.3797607	0.04
630.5715942	5.37
632.5211792	100.00
633.2833862	0.21
635.3801270	0.14
638.9840698	0.09
647.8639526	0.18
648.7245483	0.32
669.8075562	3.88
671.7042847	0.15
672.7135620	1.03
673.6450806	16.21
674.4665527	9.22
675.8853760	0.18
676.7471313	0.26
681.8846436	0.82
693.1522827	2.63
693.9090576	0.49
698.2886353	0.11
699.0402222	0.18
718.5571899	0.09
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
98.943573	0.15
110.7004089	0.09
118.9802628	0.29
129.0018616	0.33
156.015274	0.23
161.34552	0.14
162.1337891	0.13
170.0792847	5.08
178.5075378	0.19
183.0090942	100.00
184.056488	10.20
184.9789429	0.05
190.0752258	0.13
197.0583649	6.07
198.0269165	2.16
211.1642151	1.31
212.0409241	1.21
213.4275818	0.07
225.1517334	2.20
226.0170288	2.78
227.1411438	0.33
237.2077942	0.11
239.2952881	2.97
240.15625	0.61
243.3326416	0.26
247.2645264	6.11
249.2288818	1.06
251.4022217	0.59
253.4682007	1.57
254.2615967	0.93
255.1342773	0.22
263.2205505	0.10
265.52948	0.23
267.2976074	1.82
268.2213745	0.88
269.3005981	0.25
275.3144531	0.07
277.2154541	0.13
281.3218994	0.19
282.3378906	0.20
283.960144	0.07
292.2784424	0.27
293.3425598	2.76
311.2970276	11.00
312.3215637	1.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	460.77
Annotation	Unknow
Peak:m/z	Relative Intensity
188.7734985	0.05
192.0385437	0.02
206.8357849	3.17
209.0242615	12.43
210.9737854	0.02
214.9948120	0.05
257.9537048	0.05
261.0778503	0.05
281.0649719	0.22
290.7828064	18.08
292.9203491	83.66
297.0547791	0.08
298.9465637	0.75
302.2258911	0.04
310.4304810	0.05
317.1983032	0.21
325.3070374	0.10
327.0369873	0.04
328.9494019	0.22
331.2283325	0.07
340.7081299	0.06
345.3522949	0.11
348.2153320	0.12
354.9409790	0.10
356.1276550	0.11
360.3529663	0.04
362.2462769	0.02
363.8012695	0.02
370.8528748	0.25
374.7529602	2.46
376.7675476	100.00
377.5212402	0.36
384.8556519	0.13
385.7939148	0.05
386.8634338	0.05
400.9194336	1.35
414.8983765	2.72
430.9907532	0.11
432.1977234	0.04
442.2170715	0.18
443.1110840	0.17
444.3163147	0.05
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
88.8327179	0.09
91.066185	0.15
94.87234497	1.34
97.03327179	1.35
98.83010864	0.30
102.7510223	0.25
104.8499603	0.11
106.6400909	0.38
108.9924011	1.98
110.9243317	1.16
112.8570709	0.40
114.9547577	0.28
119.0695496	0.21
120.9293671	0.75
123.0774536	3.22
124.975708	0.71
127.0001373	0.55
128.9604492	0.48
130.9099426	0.11
132.9701996	0.50
135.0574341	1.60
137.040741	0.74
139.1284485	2.63
140.9386292	1.54
143.0703888	0.52
145.2018738	0.52
147.1825409	0.58
149.0265503	0.30
150.9066467	0.94
153.0619202	2.92
154.9876862	0.82
157.0254822	0.58
159.1746521	0.28
161.1458435	1.14
165.2464294	0.24
166.0473938	0.08
169.0833435	1.74
171.1122131	0.84
173.2657013	0.60
175.1399231	0.89
176.3637695	0.35
177.2477722	0.07
179.3549805	0.45
180.9479523	0.56
183.1235809	3.91
185.2513428	0.17
187.0608063	0.26
188.2601929	0.41
189.3849487	1.11
191.0945587	0.33
193.1512756	1.16
194.2798309	0.17
195.1569672	0.48
196.4468384	0.10
197.1833496	4.55
198.2153015	0.21
199.2071228	2.14
200.9363098	0.55
203.1609192	1.58
205.1214294	0.48
207.1763306	0.28
209.3384094	0.20
211.2309875	2.25
213.1958008	1.33
215.4155273	0.11
219.1537476	2.67
220.1213989	0.12
221.1591492	3.11
222.0288696	0.20
223.082428	0.76
225.1938477	1.04
227.2722778	1.37
228.7537231	0.25
233.2496643	3.72
235.1839294	1.00
237.221344	4.21
239.1643982	8.72
241.2199707	0.17
243.31073	4.36
244.319458	0.20
249.5282288	0.57
251.1793518	2.14
252.1057434	0.51
253.1766357	2.54
254.8383789	1.55
255.49646	0.98
257.0635376	1.43
261.3334351	3.21
262.1895752	0.17
266.40625	0.26
269.0913391	0.46
277.0256042	0.41
279.2240601	100.00
280.0885925	0.64
281.0897827	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	382.1695
Annotation	Trans-Zeatin-9-glucoside
Peak:m/z	Relative Intensity
119.8736725	0.13
134.1488647	0.07
144.9919128	0.26
145.8957672	0.13
149.2147522	0.09
161.9333649	0.07
166.1546936	1.00
182.1979523	0.04
183.6684265	0.25
195.1439362	0.06
202.1989899	2.44
203.1939545	0.08
217.1958313	0.06
220.1130676	100.00
227.3600769	0.19
238.2636414	0.39
240.2852478	0.14
251.1359558	0.10
253.8750916	0.08
261.1455688	0.23
276.2785034	0.09
289.0368958	0.11
291.580658	0.93
293.3862	0.20
300.7783813	0.46
307.7304077	0.46
308.4508667	0.52
311.1011353	0.15
325.208252	0.17
325.8284302	0.17
326.9788208	0.18
332.2701111	0.05
336.0305176	0.73
337.3178711	0.06
338.3620911	0.09
339.7982788	0.12
341.5418701	0.19
345.3314514	0.39
346.2282104	0.19
350.1633911	0.09
351.8305969	0.06
353.4444275	0.19
362.0698853	0.15
363.443634	0.82
364.2106323	1.06
365.1468811	0.32
373.5371399	0.07
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
212.8695831	1.34
296.8538818	16.38
378.3317261	0.11
380.6554565	71.16
381.3364868	0.19
462.1860962	0.30
464.5301514	100.00
465.2338867	0.55
502.1549683	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1051.8918
Annotation	Unknow
Peak:m/z	Relative Intensity
302.5518799	0.12
324.0952759	0.22
325.2919922	0.05
337.2462769	0.04
350.3350830	0.05
353.2473450	0.06
359.2272949	0.09
368.4442749	0.04
378.4296265	0.22
385.2231750	0.16
399.4847412	0.16
403.2268677	0.18
418.1654358	0.03
429.5836792	0.07
435.2320557	0.05
500.4043884	0.20
509.3289185	0.11
527.5847168	0.20
529.6084595	0.06
543.3320312	0.11
559.6903076	0.24
569.3923340	0.04
570.4896240	0.07
577.1207275	0.04
583.5809326	0.07
587.3988647	1.11
588.5973511	0.12
595.4670410	0.06
612.6112061	0.18
623.6041260	0.02
626.0950928	0.12
630.5372314	0.12
633.0458374	0.12
654.4576416	0.12
662.2529297	0.10
665.4849854	0.04
671.5860596	0.27
674.1514893	0.05
694.2314453	0.09
697.8690186	0.07
710.9107666	0.09
711.6971436	0.18
713.7421875	0.13
715.8897705	0.53
727.9630127	0.14
737.2082520	0.14
746.1320801	0.08
748.4129639	0.05
755.4289551	0.20
756.5229492	1.04
757.3754883	0.30
758.1247559	0.25
760.6939697	0.22
764.6245728	0.87
765.7998047	4.94
766.7378540	0.88
767.4318848	0.06
770.0952148	0.11
774.5761108	0.09
786.8400269	0.16
789.8696289	0.17
794.3160400	0.08
796.1247559	0.04
801.2362061	0.12
806.7598877	0.11
811.4257812	0.26
812.0999756	0.20
815.7230225	0.16
817.4217529	0.07
821.2501221	0.73
830.3145752	0.24
832.9570312	0.03
841.3143311	0.25
849.9626465	1.78
850.9042969	0.22
855.5262451	0.25
858.6752930	5.38
859.7662354	0.81
861.4232178	0.02
864.7971191	0.07
868.2188721	0.22
871.3458252	0.31
875.5010986	0.19
885.7879639	0.07
887.6917725	0.16
893.8024902	0.25
908.4737549	0.25
909.2864990	0.86
911.7357178	0.19
916.7507324	0.07
919.9553223	0.10
922.2648926	0.14
923.6380615	0.06
926.5177002	0.20
927.9019775	0.05
934.2807617	0.15
942.1135254	0.30
943.0793457	0.34
944.0466309	0.09
944.7597656	0.45
946.0021973	0.11
949.1110840	0.51
954.0067139	0.18
957.6580811	0.29
960.6401367	0.24
964.9356689	0.31
965.8183594	0.43
966.5400391	0.06
968.9235840	0.23
970.0229492	0.39
971.4895020	0.11
972.5131836	0.34
974.4183350	1.30
975.0731201	0.31
975.8649902	0.23
977.4982910	0.53
978.9083252	1.85
979.9639893	0.05
980.8570557	0.32
982.1121826	0.12
982.8621826	0.50
984.1390381	1.42
986.5985107	0.04
987.6821289	1.75
988.5949707	1.42
989.6903076	0.21
990.3483887	0.65
991.0300293	0.94
991.7076416	0.76
993.0872803	0.52
993.9921875	2.73
994.8386230	1.99
996.0288086	5.53
996.8967285	2.23
997.5043945	0.91
998.9263916	1.76
999.9401855	0.74
1001.1553960	1.40
1001.9016110	1.64
1002.8054200	1.58
1003.6953120	0.06
1004.7280270	0.48
1005.6467290	4.67
1006.6441650	2.11
1008.3034670	1.52
1009.0786130	0.60
1009.9665530	0.31
1011.5422360	3.43
1012.7724610	2.35
1013.8375240	0.76
1014.9144290	0.49
1015.8767090	2.24
1017.4993900	1.25
1018.2243650	0.44
1019.2731930	0.34
1020.3085940	3.84
1021.1710210	0.69
1022.7607420	1.18
1023.5426030	0.55
1024.7288820	7.36
1025.8604740	0.44
1026.7353520	1.88
1028.0769040	1.73
1028.8709720	2.18
1029.7280270	2.19
1030.6759030	1.75
1031.6287840	0.10
1032.6954350	1.74
1033.5449220	2.00
1034.6638180	3.94
1035.2735600	0.61
1036.2292480	0.43
1037.0167240	6.52
1037.8543700	0.62
1039.3544920	7.34
1041.1140140	14.00
1041.8414310	0.94
1042.5472410	0.29
1043.6368410	0.96
1052.6820070	0.14
1058.2026370	0.15
1067.2910160	0.15
1071.4875490	0.08
1080.5668950	0.07
1081.4482420	0.08
1083.3151860	0.07
1086.0179440	0.33
1095.0046390	0.20
1096.7229000	0.25
1104.5500490	0.05
1105.3880620	0.04
1107.5952150	0.48
1111.5391850	0.25
1112.1798100	0.25
1113.0664060	0.05
1114.9584960	0.51
1117.6818850	0.52
1119.2418210	0.06
1120.8321530	0.24
1121.5305180	0.27
1122.7999270	0.08
1126.2427980	0.26
1127.0214840	0.80
1127.8205570	0.28
1129.0546880	0.03
1130.0515140	0.04
1131.1220700	0.53
1132.4600830	0.31
1133.5882570	0.18
1134.5556640	0.21
1135.2042240	0.23
1136.9680180	0.09
1137.8088380	0.35
1139.3908690	0.18
1140.2712400	0.11
1142.1163330	0.19
1142.9489750	0.35
1144.2668460	0.16
1147.0886230	0.25
1149.7677000	0.18
1153.8503420	0.17
1156.6970210	0.06
1159.0722660	0.32
1161.4023440	0.22
1162.1660160	0.25
1163.4429930	0.49
1164.7352290	1.47
1165.5551760	0.34
1168.6447750	0.57
1172.0059810	0.06
1173.5627440	0.24
1174.1632080	0.05
1178.2641600	0.17
1179.0443120	0.14
1180.3839110	0.33
1182.8195800	0.05
1185.9659420	0.12
1187.0598140	0.07
1188.3369140	0.27
1190.7070310	0.18
1194.1453860	0.44
1195.0666500	0.08
1195.9718020	0.64
1196.7099610	0.27
1197.9572750	0.95
1199.8132320	0.23
1200.6528320	0.78
1201.7412110	2.84
1202.7385250	0.59
1204.7679440	0.15
1207.3328860	5.82
1208.2531740	1.03
1210.0104980	0.29
1211.2595210	0.25
1214.8552250	0.21
1217.3957520	0.15
1218.8680420	0.33
1219.6257320	0.05
1220.6578370	0.13
1223.4271240	0.57
1225.3211670	0.18
1226.7116700	0.16
1229.3630370	0.08
1230.4487300	0.26
1231.6042480	0.20
1232.5390620	1.03
1234.1975100	0.30
1235.1781010	0.46
1237.4774170	2.02
1239.1242680	0.45
1240.3806150	0.89
1241.9736330	0.13
1243.5393070	0.45
1244.8807370	0.77
1245.9246830	3.06
1246.8865970	1.63
1247.6993410	0.11
1249.0004880	0.40
1249.8044430	0.24
1251.2733150	1.05
1252.0412600	0.23
1254.3935550	0.60
1255.9875490	0.96
1257.5690920	1.32
1258.3283690	1.17
1259.3697510	1.69
1260.4517820	0.30
1261.3515620	0.28
1262.5924070	0.55
1263.1994630	4.06
1264.3707280	0.44
1265.4962160	1.27
1266.6391600	0.50
1268.7246090	7.42
1269.4406740	2.19
1270.7443850	1.19
1271.4813230	0.49
1272.1594240	0.44
1273.2962650	0.59
1273.9655760	0.28
1274.9033200	0.81
1275.8642580	0.33
1276.8666990	0.84
1278.2214360	1.38
1279.1513670	2.28
1280.1256100	2.27
1280.7618410	0.08
1282.1015620	0.87
1282.8164060	0.21
1283.5776370	0.23
1284.3188480	0.22
1285.5780030	1.59
1286.2677000	1.77
1288.1416020	1.27
1289.7624510	0.69
1290.5872800	0.40
1291.7751460	1.94
1292.5773930	0.22
1293.2055660	0.32
1294.9295650	2.59
1297.0087890	1.35
1298.1264650	0.56
1299.3406980	0.05
1300.3702390	0.78
1301.1092530	0.33
1302.5111080	1.32
1303.6264650	0.51
1306.0017090	0.99
1306.6383060	0.40
1307.4161380	0.19
1308.6921390	1.51
1310.2454830	1.23
1311.6470950	1.14
1312.6529540	0.66
1313.3907470	0.42
1314.3573000	0.20
1315.1661380	0.41
1316.9107670	2.66
1317.8171390	0.73
1318.9694820	0.96
1319.8553470	0.72
1320.7767330	0.11
1321.7829590	1.13
1322.9884030	2.09
1323.6672360	0.72
1324.8121340	2.98
1325.6993410	2.13
1326.7005620	1.60
1328.3344730	5.15
1328.9432370	5.78
1329.8184810	0.99
1330.5343020	4.33
1331.3858640	2.76
1332.4091800	1.43
1333.2762450	2.11
1334.5291750	47.34
1335.8975830	1.28
1336.8685300	1.48
1338.9066160	2.82
1339.7148440	16.22
1340.3846440	100.00
1341.9652100	1.75
1342.6473390	1.04
1343.5455320	0.81
1344.7528080	0.54
1345.4367680	0.33
1348.4843750	2.61
1349.2037350	0.15
1351.0858150	0.04
1352.9373780	0.43
1353.9205320	1.82
1354.6708980	1.44
1356.1425780	0.06
1356.7490230	0.14
1357.7580570	0.13
1359.5361330	4.81
1360.3052980	1.07
1361.6588130	0.17
1363.3372800	0.48
1365.1597900	4.42
1365.9649660	1.81
1367.6658940	0.13
1368.5893550	0.25
1369.2484130	0.27
1370.7565920	0.37
1372.6212160	0.09
1374.0279540	0.39
1376.9547120	0.13
1379.4829100	0.88
1384.1307370	0.18
1388.7138670	0.12
1392.8170170	0.17
1409.9658200	0.09
1411.7728270	0.29
1428.3111570	0.07
1456.1258540	0.16
1458.5446780	0.04
1461.1983640	0.37
1462.7221680	0.11
1470.6534420	0.17
1475.0850830	0.07
1476.8858640	0.05
1480.0006100	0.09
1483.6877440	0.04
1487.6127930	0.23
1489.9495850	0.07
1494.6063230	0.11
1528.3218990	0.15
1529.0797120	0.23
1530.1655270	0.11
1543.7347410	0.18
1563.9963380	0.16
1564.8599850	0.09
1565.8406980	0.08
1570.8907470	0.27
1571.9874270	0.08
1573.7904050	0.06
1584.9274900	0.06
1587.9812010	0.06
1590.8227540	0.12
1593.5084230	0.04
1597.7987060	0.48
1614.0076900	0.22
1615.3072510	0.44
1616.6329350	0.16
1621.0335690	0.36
1621.9049070	0.06
1626.6540530	0.04
1630.2174070	0.06
1644.9744870	0.20
1655.7410890	0.06
1656.9338380	0.05
1663.6270750	0.29
1665.3986820	0.14
1671.0328370	0.08
1673.2471920	0.10
1676.8581540	0.08
1680.0905760	0.08
1682.6188960	0.16
1689.4591060	0.82
1690.5325930	0.47
1693.0178220	0.35
1698.6951900	0.28
1700.1029050	0.22
1705.3023680	0.11
1706.6510010	0.05
1707.3068850	0.05
1710.8052980	0.09
1713.4608150	0.23
1714.9603270	0.17
1717.9938960	0.09
1724.1160890	0.10
1726.2711180	0.19
1727.9172360	0.42
1728.8737790	0.20
1730.3103030	0.18
1733.5552980	0.29
1737.3238530	0.16
1737.9835210	0.41
1741.0499270	0.06
1742.0408940	0.07
1742.9440920	0.23
1746.3547360	2.66
1747.2003170	0.68
1755.9783940	0.29
1757.5694580	0.07
1759.5032960	0.07
1763.6405030	0.10
1772.8914790	0.36
1784.4395750	0.03
1791.2054440	0.14
1793.5689700	0.77
1796.7664790	0.24
1799.0954590	0.13
1801.0162350	0.09
1802.8576660	0.13
1803.8176270	0.40
1804.6096190	0.15
1810.9405520	0.17
1817.0286870	0.12
1825.2874760	0.08
1830.0739750	0.09
1832.0992430	0.67
1833.0640870	0.09
1839.5726320	0.10
1841.5242920	0.18
1843.1085210	0.09
1848.4556880	0.07
1850.8702390	0.12
1852.6534420	0.05
1857.2164310	0.06
1858.9787600	0.11
1866.3646240	0.21
1871.9906010	0.06
1873.0723880	0.18
1874.8670650	0.18
1879.0855710	0.04
1882.1822510	1.12
1886.3298340	0.18
1887.9318850	0.15
1894.4860840	0.19
1895.3743900	0.06
1909.2684330	0.52
1911.2672120	0.07
1913.1866460	0.08
1916.7891850	0.21
1919.2532960	0.22
1924.0926510	1.05
1925.5574950	0.06
1930.1419680	0.03
1936.6129150	0.20
1944.5798340	0.25
1948.3918460	0.07
1956.9959720	0.05
1962.2625730	6.66
1966.2219240	0.13
1966.8532710	0.06
1972.5772710	0.03
1974.5432130	0.03
1975.1936040	0.07
1976.8697510	0.03
1978.2249760	0.08
1985.6134030	0.05
1988.7064210	0.02
1989.8302000	0.08
1996.1754150	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	652.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
185.0354156	0.07
196.8807373	0.04
210.0696564	0.73
210.8542633	0.08
213.0440369	0.03
228.2763672	0.06
230.8761597	0.04
233.9779358	0.05
236.2957458	0.07
241.0711517	0.06
242.0733337	0.25
244.9474182	0.16
249.4094086	0.04
254.0546875	5.47
255.2003021	0.79
260.3995667	0.38
272.2374878	5.34
273.2708435	0.53
277.5668945	0.03
288.1518250	4.23
289.0122986	0.86
306.1497803	100.00
307.1499023	13.43
322.1944580	0.03
341.3065796	0.04
342.4617310	0.07
344.6384277	0.11
374.3248291	0.79
375.3983765	0.03
376.2756348	0.06
380.5599976	0.17
397.2075806	0.16
417.1460571	0.04
425.5171509	0.08
437.3560791	0.04
451.2098999	0.16
468.4838257	0.05
501.5449829	0.08
522.1738281	0.64
523.3817749	0.63
524.5297241	0.13
533.4599609	0.16
563.3776245	0.16
577.3771973	0.06
585.3653564	0.05
591.4789429	0.02
593.4651489	0.08
606.5520630	0.18
607.4899902	0.14
609.3653564	0.19
612.2514038	0.10
619.3750610	0.07
622.9213257	0.07
623.6747437	0.22
624.5740356	0.14
632.6315308	0.04
634.5549316	0.97
635.4337769	0.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	543.1304
Annotation	Galactotriose
Peak:m/z	Relative Intensity
172.9175873	0.04
177.2104492	0.04
188.2411804	0.13
199.9692993	0.08
200.8968048	0.10
219.0766449	0.47
242.0751648	0.10
256.0915833	0.03
272.2784424	0.11
289.3680420	0.51
290.2882996	0.60
291.0170898	0.41
295.1677856	0.08
303.1458740	0.08
307.0915527	0.06
309.1007080	0.15
320.3250732	0.09
321.1302490	0.06
325.1938477	0.15
358.3600464	0.11
363.1558838	25.87
363.7611084	0.07
368.3399048	0.08
370.0996094	0.50
371.0189209	2.37
371.7768555	0.85
372.9462891	0.06
379.0244751	0.16
381.1893921	100.00
382.4860840	0.09
406.3950195	0.20
452.2184448	0.23
453.1433716	0.14
461.5622559	0.23
463.9021606	0.05
482.4244385	0.08
487.1084595	0.24
487.7832642	0.04
489.3087769	0.05
525.3496704	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	272.185
Annotation	Unknow
Peak:m/z	Relative Intensity
76.9998474	0.06
78.9826050	0.57
80.0481720	0.19
81.0414352	0.08
82.0795136	0.55
82.8278503	0.06
84.0315094	0.49
84.9591293	0.05
86.0022583	2.37
91.0572891	0.16
92.9455109	0.78
93.9229736	0.19
95.0684204	0.55
97.0210876	0.68
97.8973084	0.05
105.0136261	0.31
105.8265076	0.37
106.9236603	1.22
108.1185760	0.58
109.1465454	0.08
109.9195862	0.19
110.9442444	0.22
111.9610138	0.14
113.0294037	0.06
115.9660034	0.12
116.8856506	0.24
118.0342712	0.16
120.0337067	0.40
121.0999908	0.57
121.9814606	0.21
123.0177917	0.46
124.0845795	0.86
124.9606934	0.82
126.3478088	0.05
129.1032867	0.08
130.9998474	0.85
132.3622284	0.27
133.0674133	0.53
134.0493927	0.27
135.0077972	1.42
136.1269531	0.33
137.1758270	0.11
138.9805145	0.14
140.1829834	0.18
141.0485229	0.12
142.9795685	0.04
145.0778351	0.74
146.9855652	0.64
149.0737152	0.24
152.0356903	4.40
153.0771942	0.99
155.2869568	0.22
155.8986359	0.06
157.1522217	0.46
158.4918518	0.69
159.1623993	1.26
160.8875427	0.08
161.9723206	0.31
163.0737457	0.39
164.0668182	0.19
166.3541718	0.05
169.9056244	0.53
171.1067200	0.84
172.1679230	0.25
173.1542511	3.90
174.1542206	0.23
175.3080902	0.06
177.1851196	0.18
180.1181946	0.11
181.1123505	0.57
183.1754303	1.33
184.1771393	0.17
187.9114532	0.15
189.0173645	0.45
190.1386871	1.62
191.1455841	1.46
192.1552887	1.83
193.2657928	0.38
194.2556915	0.13
195.1428375	0.04
197.4246979	0.12
198.2020569	0.55
200.0507050	2.73
201.1636200	3.58
202.4689026	0.03
206.2241364	1.73
207.1209564	0.41
208.1939850	5.17
209.1412811	0.30
210.2164764	4.26
211.1138458	0.13
212.4223480	0.11
216.0750427	0.03
218.2349854	26.94
219.2200775	2.70
224.1739349	6.47
225.3003693	0.50
226.2573700	7.54
228.3566895	0.13
230.2654877	0.05
230.9027557	0.06
234.1726532	0.13
236.1673584	51.80
237.3104858	3.17
244.2016602	0.81
249.1006622	0.11
252.0654449	0.12
254.1971588	100.00
255.1870728	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1101.365
Annotation	Unknow
Peak:m/z	Relative Intensity
318.7756348	0.09
473.5532532	0.13
939.8221436	0.12
990.4820557	0.14
1015.4799800	1.35
1025.4686280	26.25
1026.3562010	0.12
1039.5068360	0.39
1057.4749760	100.00
1058.3560790	0.94
1069.0849610	0.25
1081.9858400	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1015.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
319.4933777	0.03
452.5383911	0.05
511.2484131	0.13
535.6872559	0.07
539.4865723	0.06
553.4940186	0.11
554.2241211	0.03
567.5501709	0.04
579.2954712	0.10
597.2489014	0.61
611.0608521	0.07
615.5415649	0.38
623.1754761	0.19
629.5396118	0.14
641.4121704	2.91
647.5211182	0.35
658.4785156	0.08
659.4637451	0.19
673.5879517	0.25
685.4732666	0.11
769.6290894	0.08
790.7597656	0.04
801.5930176	0.07
821.3908691	0.11
879.4860840	0.10
895.4117432	0.26
898.1229248	0.08
914.7441406	0.10
921.6395264	0.12
939.4343262	0.44
940.1199951	0.07
942.7166748	0.03
953.7468262	0.05
955.6065674	0.10
965.5605469	0.60
971.5062256	0.03
979.0000000	0.06
983.5050049	100.00
984.1911621	0.62
997.5671387	1.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	271.2279
Annotation	2-Hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
93.11468506	5.99
123.1520844	5.06
141.1570129	1.71
153.1107941	1.27
167.2658539	1.80
177.1161957	1.27
182.0410767	1.16
186.9936981	6.40
193.1152191	3.54
209.311203	16.82
211.2317963	12.97
213.1952667	2.46
223.448822	5.37
225.2240448	80.96
227.1180267	25.95
229.3052826	1.38
235.3051758	8.29
239.0928192	1.90
240.543457	1.92
243.1867065	2.66
244.1291962	1.16
251.3262787	8.50
253.2158661	100.00
253.8606415	1.20
255.2857208	21.34
256.220459	0.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	151.03
Annotation	Unknow
Peak:m/z	Relative Intensity
89.0267181	0.10
89.6599884	0.02
105.8733063	0.01
109.8566589	100.00
110.7878723	0.02
127.8814697	6.42
130.4403381	3.04
132.9476929	0.06
139.3700409	1.65
141.5601196	0.01
146.0740662	0.02
146.9537201	0.01
151.0857697	0.04
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
119.104599	0.18
155.9494171	0.16
163.3431091	0.05
167.2195435	0.13
170.1263275	3.81
171.0515442	0.05
175.3591614	0.33
183.0076904	100.00
183.9364929	8.03
185.1211853	0.20
197.0787048	8.50
198.0877533	3.22
211.0909119	0.50
212.0131226	1.85
213.0846558	0.45
225.136322	2.16
226.0936584	1.71
227.0723572	0.83
231.4169006	0.20
237.2247009	0.14
238.149231	0.07
239.3297424	3.84
240.1657715	1.20
241.2174988	0.61
243.1159973	0.09
247.2823486	3.78
248.2976685	0.36
249.3081665	1.29
250.4769592	0.08
253.1326599	1.04
254.0759277	0.99
255.3218384	0.07
262.9047546	0.08
264.9158325	0.19
267.2377319	2.19
268.2473145	0.24
269.2149963	0.18
283.2930298	0.18
293.2355652	4.03
294.4710083	0.10
295.1882324	0.47
297.561554	0.09
311.2855835	7.13
312.350708	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.0473
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
162.9494324	0.04
164.1096344	0.06
192.8970032	0.02
196.9585266	0.03
211.1322479	2.68
223.1169281	0.05
241.0942993	0.78
259.2310791	0.12
273.1075745	0.10
280.0144043	1.11
293.0316467	0.05
305.1718140	0.08
308.8474731	0.02
321.0568237	0.32
323.1017456	100.00
339.2741699	0.05
385.1234131	1.44
390.9609985	0.59
394.7664185	0.02
396.7952881	0.11
403.1660767	1.97
409.0343628	0.15
409.9533081	0.05
428.8554688	5.03
429.8161621	0.06
444.9562378	0.16
453.2151489	0.02
467.3436279	0.32
477.0868530	0.03
478.8394775	3.12
480.1950684	0.72
480.8764038	5.97
517.5172729	0.14
519.2965088	0.12
521.9611206	0.03
547.2329102	0.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	653.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
225.3645935	0.28
233.3481445	0.14
267.4309692	0.14
268.1215820	0.08
285.2611084	0.10
293.1918945	0.14
308.5302124	0.17
311.1510620	0.16
327.1387939	0.20
329.3137512	0.12
338.0756226	0.04
341.5599365	0.05
342.3865967	0.05
343.3525391	0.05
347.3853149	0.06
353.1801758	0.09
354.1774292	0.69
355.4978027	0.13
356.2149658	0.16
361.3807373	0.10
370.3095093	0.06
385.5178833	0.13
387.3279419	0.12
401.3131714	0.18
405.4406738	0.13
425.4932861	0.14
435.3591919	0.08
447.2423706	0.09
460.2767944	0.07
473.2286987	0.25
487.3851929	0.07
489.0878296	0.10
489.7729492	0.24
490.4677124	0.16
491.4138184	0.08
514.0843506	0.04
515.6318970	0.19
520.6737061	0.48
523.2263794	0.53
533.3734131	0.49
534.1929321	0.23
535.2620239	0.11
537.2752075	0.18
540.6754150	0.10
557.5519409	0.29
567.2426758	0.49
571.4067993	0.08
607.1786499	0.18
609.3779907	100.00
610.0382690	0.44
617.5857544	0.16
630.9100952	0.07
632.2843628	0.07
632.9321289	0.30
634.9113770	0.44
635.7881470	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	494.215
Annotation	Stephalonine C
Peak:m/z	Relative Intensity
145.2748108	0.03
151.0278168	0.04
161.2304382	0.02
162.0925903	0.08
169.2478180	0.16
170.2489319	0.04
174.1714783	0.05
180.0805969	0.03
183.1859131	0.06
186.3365936	0.03
189.0464172	0.14
191.0450134	0.02
201.1884766	0.72
202.1183777	0.03
217.0358887	0.04
219.0849609	0.21
220.1215210	0.12
226.1498413	0.13
227.1988525	0.28
230.2318268	0.01
231.1693573	0.19
232.1531372	0.02
243.5718689	0.16
244.2649841	0.38
245.2275085	0.08
252.9729004	0.01
257.3438416	0.09
259.0167236	0.02
261.1594543	0.03
262.2038269	0.30
263.0194092	0.05
272.2277832	0.05
274.4817505	0.03
279.2558289	0.05
284.4239807	0.05
288.3702393	0.02
291.2187805	0.05
293.5354614	0.08
298.2410583	0.03
299.4492188	0.27
308.1641846	0.05
311.2407837	6.51
312.2915649	2.94
313.2146301	0.14
316.9883423	0.07
318.0209351	0.03
329.2891235	29.89
330.3083801	8.20
331.3013306	0.22
332.2194824	0.11
333.3012695	0.13
338.9604187	0.03
341.3922729	0.04
347.2115173	15.49
348.1939697	4.57
349.1842041	0.54
350.2755432	0.04
363.2068176	0.07
365.2665710	100.00
366.2495422	21.40
366.8580933	0.07
370.5241089	0.06
373.7745056	0.04
379.2977905	0.02
380.5127258	0.01
383.5303650	0.06
401.3102722	1.45
402.2396545	0.82
406.4625549	0.04
408.4034119	0.03
419.3396912	7.26
420.3876648	2.53
428.3959045	0.13
429.4946594	0.15
431.2830505	0.31
432.3968811	0.06
433.2214966	0.02
439.2539673	0.02
440.4088440	0.32
441.2416077	0.03
442.2592773	0.03
446.5218506	0.07
448.9967957	0.02
452.4347229	0.06
453.2098999	0.02
458.1552734	1.47
459.1694336	0.78
460.2955017	0.03
472.2958679	0.03
476.2927856	14.87
477.2992859	5.49
477.9967651	0.03
478.7104187	0.23
486.4794312	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	541.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
162.9795227	0.48
188.8687134	0.57
192.9870605	0.16
195.2497253	0.07
199.0171814	0.58
226.2957916	0.37
235.2222595	0.21
245.5516357	0.09
246.9933319	0.17
258.9643250	2.87
271.1225586	1.39
272.0815430	0.13
274.3717651	0.09
277.0086365	0.96
280.1314087	2.85
289.0554504	23.26
289.9897461	0.52
291.3410645	0.19
292.2651367	0.15
295.0731812	0.17
301.1406250	0.13
306.6752319	1.42
309.5809937	0.21
317.0860596	0.07
318.9705200	0.18
320.3247681	0.23
322.8893433	0.25
324.1848145	0.63
325.0567017	5.88
332.3939819	0.15
333.5848389	0.25
334.8452148	0.07
336.9988403	1.04
342.8368530	0.56
354.9857788	0.46
360.2089844	0.07
361.2498169	0.60
367.1322021	0.20
370.1024170	100.00
371.0534668	1.02
372.2167969	0.80
372.9466553	0.12
373.7052002	0.45
376.5191650	0.11
377.6882935	1.60
378.4624023	1.84
379.1877441	0.78
396.2994385	0.34
397.0527954	4.66
400.0798340	0.04
415.0115356	0.17
451.2027588	2.46
455.2216187	0.23
456.8679810	1.21
460.0751953	0.77
482.0042114	0.13
487.0728760	2.19
494.2334595	0.29
498.9987183	0.13
511.8632202	0.05
516.9820557	4.19
522.4136963	0.38
524.1384888	0.31
558.9505005	3.39
575.0966187	0.11
576.9917603	21.40
577.6675415	0.06
578.3209229	0.16
618.9454956	0.21
648.8366089	0.68
736.9602051	0.63
739.1685181	86.37
740.1795044	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	423.1782
Annotation	Ugonin P
Peak:m/z	Relative Intensity
135.9491882	0.15
143.1304779	0.08
146.0981293	0.05
180.9625549	0.14
181.8929138	0.10
185.3675232	0.09
186.0382385	0.12
188.2817078	0.05
188.9891357	0.12
198.8852081	0.09
207.2381287	0.24
210.3514252	0.05
213.0227356	0.11
227.0322418	0.06
229.0710144	0.08
235.1153259	0.74
239.0285339	0.05
243.0788879	0.13
245.1456909	0.04
247.1563110	0.05
249.0952454	0.07
256.5765991	0.05
261.1963501	0.04
265.2023926	0.07
272.1254272	0.03
279.3106689	0.06
283.5792542	0.10
288.3703003	0.03
289.4257202	0.07
291.7678833	0.15
293.1443481	100.00
293.7521973	0.16
294.4295044	0.02
296.2236938	0.16
301.8428345	0.08
304.3205566	0.09
307.9664917	0.06
316.4948120	0.04
326.4642639	0.12
332.7807312	0.14
335.4561462	0.07
341.1248779	0.04
343.8146973	0.03
347.5680542	0.12
348.2127075	0.09
362.8048096	0.28
363.9974670	0.04
377.1833801	0.32
379.3594666	0.39
381.5696411	0.09
382.3882141	0.22
386.2813416	0.03
387.1362610	0.35
387.8284302	0.05
391.4850769	0.11
392.5274353	0.15
395.4077148	0.08
396.0491333	0.08
399.4141541	0.10
400.2363586	0.16
405.2490540	25.74
408.3112488	0.04
411.2588806	0.05
414.2916870	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	293.124
Annotation	Ethyl (S)-3-hydroxybutyrate glucoside
Peak:m/z	Relative Intensity
84.8907547	1.98
86.9629288	0.31
88.9518356	2.91
94.9122772	0.30
96.7896881	0.15
98.9807587	0.02
100.9950409	4.72
103.1387329	0.03
105.1407928	0.07
106.6844864	0.29
110.9820862	0.06
112.9986267	6.82
115.0971680	1.46
119.0254135	3.68
125.0826569	0.42
126.9975739	0.58
127.9147491	0.50
129.1631165	0.27
130.9730072	100.00
143.0002747	2.13
144.5149689	0.13
145.1174316	0.23
146.8999329	0.06
149.0570374	1.03
154.9968262	0.14
159.0573730	0.19
160.9376984	1.38
173.0628662	5.52
174.2205811	0.03
179.0477905	2.01
180.0149689	0.04
185.0720520	0.69
190.5279083	0.11
191.1448822	1.19
203.0848083	1.12
214.9589539	0.09
216.9311523	0.02
218.2785950	0.10
220.1104126	0.04
221.3111267	0.04
223.0616150	0.04
232.1811218	0.03
233.1133728	0.18
246.9476318	0.22
248.3069153	0.04
249.0959167	0.26
257.3881836	0.05
263.4475708	0.04
265.1334229	0.08
275.1694031	0.83
276.2697449	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	252.086
Annotation	N-Carboxyacetyl-D-phenylalanine
Peak:m/z	Relative Intensity
73.9994888	0.03
84.0469894	0.05
87.9695587	3.29
91.0869446	0.14
105.0023041	0.07
114.7794952	0.03
115.9347992	3.70
121.2308350	0.16
126.9568024	0.21
131.3632660	0.06
133.9481354	95.09
134.7907104	0.10
137.0972748	0.27
138.2460175	0.09
142.1794434	0.03
149.9302826	0.05
151.7996521	0.03
156.8701630	0.09
192.7684479	0.03
196.1320648	0.21
205.4632263	0.17
206.0633850	2.18
206.7427521	0.04
210.0032349	0.09
210.9013214	0.49
221.6533356	0.05
224.2488556	0.50
229.0658722	0.06
234.0396271	100.00
235.2281342	0.48
238.2614746	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	483.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
155.9449463	0.18
161.0876312	1.28
173.1204376	4.22
174.1915894	0.80
199.1523743	0.62
231.3093872	0.17
233.1567383	49.20
243.2098236	0.35
249.0875549	100.00
259.2422180	1.80
275.2236023	0.19
279.0136108	0.33
303.2431641	13.48
316.0349731	0.10
319.2314453	0.15
321.1623535	9.16
322.0463867	0.05
326.1815796	0.82
349.4388123	0.18
350.2929382	0.25
360.1011353	0.29
363.0957336	0.20
387.1174316	0.14
393.2211914	1.08
395.0957336	0.15
403.6141357	0.10
409.2300110	0.33
422.1653748	0.22
424.1440125	0.37
436.4311218	0.08
439.3851624	1.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
95.0879364	0.61
97.06356812	0.23
98.99388123	0.49
100.9299927	0.36
107.038887	0.20
108.8143005	0.31
110.9721832	1.32
114.945488	0.73
115.8564148	1.29
121.0910339	0.55
122.9987106	1.96
124.841629	1.49
126.0242462	0.23
126.7881546	0.14
129.1419983	0.21
133.0017395	0.63
134.9047546	1.52
137.0170135	0.55
138.9721375	2.02
141.0328979	0.87
143.0036011	2.89
147.144104	1.93
149.1834412	0.54
151.1888428	1.06
152.8516541	0.55
155.0932159	0.58
156.7657471	0.69
161.1424103	0.63
163.0560608	1.27
165.2181702	1.19
167.0681458	0.89
169.0407715	3.03
170.1556549	0.33
171.1509399	0.73
173.0731659	0.25
175.938858	0.29
177.1981659	0.47
177.9805145	0.61
179.064621	0.14
180.088623	0.16
180.9963837	3.12
183.2375641	0.34
184.8882751	2.85
187.3622131	0.55
189.0539246	0.95
191.1743469	0.79
193.1025238	1.13
194.993103	3.05
197.2004395	2.17
197.9440613	0.30
199.3626556	0.85
201.0720825	0.71
209.0262756	1.69
211.1509094	3.51
213.1992798	5.54
214.9948425	0.35
219.2043762	0.25
221.1349182	0.54
222.112793	0.31
223.3695679	1.56
225.2297974	2.28
226.6154175	1.59
227.394989	1.51
229.2826843	2.15
231.3097229	0.39
233.425415	0.88
235.2304382	4.92
236.7205811	0.33
237.381073	0.35
239.2564392	3.26
241.1212769	1.50
243.4076538	0.51
245.0668945	0.82
249.1777039	0.91
251.2693787	2.43
253.1067505	10.04
254.2357788	1.66
255.2191162	0.68
257.1044922	0.80
259.8504028	1.03
263.1173096	1.28
265.2957153	4.52
267.3960266	1.31
268.2731934	0.36
269.3164978	3.91
270.2373657	0.63
271.3161316	0.51
274.2345581	0.33
275.3085327	18.87
279.2020264	0.34
279.8773193	0.94
282.2402954	0.81
283.1461487	6.55
284.0892334	1.43
285.28302	0.16
287.8218384	0.71
293.2055359	100.00
294.0851746	0.28
296.7929077	0.38
298.3853149	0.28
302.3225403	1.32
310.3881226	0.72
311.1806335	0.98
323.3901672	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1088
Annotation	Galactinol
Peak:m/z	Relative Intensity
100.9820862	7.79
113.0265961	22.44
119.012886	12.51
124.965332	2.07
131.1333313	3.11
137.1073761	0.49
142.9848022	17.03
148.9684143	4.69
160.8972168	19.94
171.0135498	1.30
179.0548706	100.00
180.1328735	0.91
191.3663635	2.01
202.0115662	3.16
203.1007385	1.93
207.9850006	2.07
209.1513672	1.65
220.405304	0.54
225.0643311	0.86
237.361969	1.60
242.0621033	1.85
246.7950439	0.49
251.335022	0.65
263.289978	0.84
266.8654785	0.64
268.9784241	0.73
271.031189	1.19
277.5351868	1.90
281.1226196	8.53
295.1450195	14.23
296.2545166	1.73
297.0578613	3.71
298.1059875	0.74
304.8043213	1.11
307.0048218	1.12
310.3363342	2.18
311.4624023	3.15
323.3099976	2.02
325.4789429	0.81
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	272.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
78.9105225	0.08
80.8437347	0.16
81.9986114	0.02
82.8309021	0.03
84.9762192	0.03
90.8495941	0.07
92.9389954	0.07
93.9190674	0.12
96.0648727	0.26
104.9890900	0.17
106.7214966	0.05
108.2486877	0.12
109.0350342	0.07
109.9060211	0.12
111.1203156	0.03
111.9093628	0.07
113.0367889	0.06
117.0586853	0.05
119.0385437	0.23
120.9268951	0.24
121.9619598	0.74
122.8938751	0.10
124.6057281	0.05
128.0871735	0.09
131.0490112	0.16
133.0853424	0.54
134.0518951	0.15
135.1583710	0.17
136.9844055	0.10
139.1904907	0.17
140.0575104	0.83
141.0364838	0.08
142.0574951	0.25
142.9657898	0.26
144.9499817	0.25
147.0192871	0.26
148.1270752	0.15
149.0192719	0.09
150.0907898	0.49
151.0890198	0.25
152.0029449	0.03
153.2118683	0.07
153.9766235	0.13
155.1054535	0.06
156.0172577	0.04
157.0882721	0.17
159.1383820	0.80
161.0746765	1.72
161.7665405	0.04
162.8884277	0.05
165.1213989	0.05
167.1053009	0.08
168.0479279	0.09
168.8623962	0.02
170.1223297	0.08
171.0931244	0.02
173.1472015	0.85
174.0318909	0.27
175.1299438	0.19
176.2321014	0.04
176.8911591	0.03
179.1305542	1.78
180.1504364	0.03
182.2701721	0.48
183.0879974	0.47
185.2500458	0.07
189.1520386	0.04
190.1119690	0.40
191.0762787	0.70
192.0826263	0.10
193.2406158	0.09
196.0954742	0.34
197.1459656	0.53
199.5047607	0.04
200.3404694	0.64
201.1887970	1.14
202.9395447	0.04
208.1736908	1.53
209.1848602	0.07
210.2912598	0.27
212.1033173	0.39
214.3011017	0.09
215.2478180	0.10
216.1935120	0.03
217.1651611	0.02
218.1768646	2.52
219.1852417	1.34
222.7895050	0.15
224.0112762	0.03
226.2192230	1.12
228.1254730	0.15
228.9677582	0.08
230.1451569	0.11
230.8917389	0.34
232.4172363	0.03
234.2481689	0.28
236.1724243	25.17
237.2368774	0.15
242.0432587	0.03
243.2185822	0.20
244.2621002	1.36
248.6793060	0.14
254.1781769	100.00
255.1736603	0.47
263.1796570	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
84.88912964	0.41
90.70196533	0.24
93.04249573	0.25
95.0034256	1.22
97.09960938	1.25
97.75032043	0.10
98.86664581	0.97
103.1320953	0.24
105.0585175	0.72
107.0732117	0.54
109.0406876	2.94
111.0217896	0.46
112.9274292	0.92
114.9648132	0.24
117.0332108	0.36
118.9505615	0.65
121.0460205	0.72
123.057251	1.61
124.9164429	0.60
129.0364075	0.78
130.8252411	0.11
133.0429077	0.75
135.0889893	1.12
136.891571	0.79
138.9311523	2.84
140.9506836	0.72
143.0513306	0.32
145.0862122	0.55
146.7125549	0.94
149.1356201	0.88
151.060318	0.76
153.0557251	1.47
155.1004944	1.57
156.8697815	0.05
159.3160095	0.50
161.1476135	0.34
163.1711426	0.09
164.1031952	0.60
165.2788391	0.35
167.002182	0.22
169.1562347	1.16
171.0568848	0.36
172.6685486	0.52
174.9830017	0.30
176.1726837	0.30
177.1875153	1.16
179.1264343	1.13
181.1216431	0.30
183.0656586	3.28
185.2891235	1.34
187.0035706	0.11
189.2896118	0.25
190.1731873	0.10
191.1931763	0.35
192.6763458	0.11
193.3031158	1.06
195.181015	2.88
197.0911407	4.55
199.039978	1.27
201.4371338	0.23
203.1679077	1.77
207.2719116	0.69
208.9872437	1.21
211.2073364	2.13
213.2409363	1.58
214.540802	0.75
215.1654968	0.26
219.1430969	1.44
221.2601624	2.52
223.2381592	1.91
225.2128601	2.21
227.1176147	0.87
229.4542542	0.07
231.274231	0.23
233.3041687	1.94
235.265564	0.79
237.3095398	3.31
239.1923523	8.19
241.2189026	0.43
243.2773132	1.26
247.3133545	0.50
251.224823	2.71
253.296936	0.48
255.2077332	2.42
256.9313354	2.51
260.0584412	0.26
261.282196	4.75
263.3141174	0.26
264.2743835	0.31
265.2472229	0.13
267.2912598	0.24
269.3631592	0.50
274.6369629	0.22
279.2276917	100.00
280.211853	0.37
281.0299377	0.47
287.8539734	1.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	370.08
Annotation	Lansoprazole
Peak:m/z	Relative Intensity
109.9147949	0.05
126.8299026	0.17
144.8448792	1.08
149.1655579	0.05
160.8637085	0.05
162.0871582	0.13
162.9581604	0.70
163.9451599	0.05
175.1701355	0.06
180.1556091	0.09
187.9736633	0.05
198.5687561	0.33
202.2108765	0.04
206.2781372	0.29
207.0177612	0.29
208.1235199	0.07
219.0457764	0.21
221.3361206	0.15
223.2912292	0.05
237.3198242	0.25
238.3397217	0.12
238.9952698	0.06
240.1528625	0.24
253.3543091	0.05
255.4888306	0.87
256.4567566	0.31
261.7113342	0.05
263.9511108	0.09
265.3628235	0.19
268.8623962	0.12
270.8122559	0.37
273.5798950	0.07
279.5807190	1.76
280.1868591	3.05
281.2553711	0.41
281.8624268	0.37
283.2629700	0.30
288.9417114	18.84
290.3178711	0.61
290.9401245	0.02
293.5493164	0.10
296.4532166	0.34
299.1413879	0.04
307.7576294	0.47
309.2008057	0.13
310.1206055	0.17
310.9790955	0.17
312.5173645	0.12
313.1431885	0.14
315.4838257	0.14
324.4623413	0.07
325.0817566	0.43
327.1108093	1.99
328.3712769	0.55
329.3589783	0.17
333.6592407	0.08
334.4440613	0.24
335.3229675	0.30
336.8887329	0.04
338.0242004	0.09
339.3438721	0.08
341.0494690	0.09
343.4408264	0.11
346.6578979	0.19
350.1372375	0.07
351.1563110	0.35
353.3604431	100.00
355.1977234	0.17
370.3622437	0.36
379.2329102	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	306.0763
Annotation	Glutathione
Peak:m/z	Relative Intensity
99.0083618	0.23
102.1419601	0.04
116.0436630	0.21
120.0053558	0.16
124.8575745	0.03
128.0587769	8.71
143.0031433	8.70
144.1824951	0.13
145.0845337	0.05
146.0953369	0.74
154.9996033	0.04
160.0239410	9.34
165.3153992	0.02
167.1600494	0.38
169.1472626	0.20
170.1637878	0.11
171.0820007	1.17
177.1544189	8.11
179.1107178	8.96
183.0634918	0.14
185.1817627	1.12
192.2483673	0.03
194.0119629	0.07
197.1188507	0.49
210.2250671	4.98
213.0966187	2.61
218.3389282	0.05
224.2301331	0.09
228.1911621	0.79
231.1361694	0.70
236.1919861	0.26
242.2333679	1.48
252.2261047	0.05
254.1479492	91.80
260.1602173	0.07
261.3067932	0.04
270.0859680	0.24
272.1790161	100.00
288.1960449	62.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2415
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
90.95446777	0.36
92.87617493	0.18
95.09037781	1.29
96.86048889	2.05
105.0003586	0.20
107.2362442	0.16
108.0476456	0.24
109.0432587	2.88
110.9046249	0.25
113.1074066	0.52
115.0686264	0.23
117.0139542	0.54
119.1767197	0.09
121.0701294	1.24
123.0402985	2.00
124.9709854	1.31
126.9988327	0.07
129.2648621	0.44
133.1524353	2.10
135.0069885	1.37
137.0270996	1.04
138.9306641	3.39
141.0566254	0.64
143.2130737	0.13
144.8907776	0.23
147.0490112	0.25
149.0486145	0.74
151.2933655	0.95
153.0184937	1.54
154.1427002	0.11
155.1658173	2.05
157.2923584	0.23
159.2936707	0.25
161.0127563	1.60
163.0134888	1.14
164.9934845	0.29
166.9333801	0.46
169.0410156	2.35
171.1101379	1.05
173.1094513	0.20
173.9938049	0.34
174.996933	0.18
175.7766418	0.35
177.25354	0.99
179.1798096	0.31
180.7282867	0.32
183.1381531	5.42
185.2978821	1.36
188.0550842	0.36
189.3482971	0.25
190.9483185	0.56
193.2575989	1.17
194.0561523	0.21
195.0877686	0.71
197.0750427	3.63
199.1473694	1.69
200.9144287	0.18
203.2408447	2.31
205.2643433	0.44
207.2625122	1.07
209.2781677	1.13
211.3319397	2.94
212.9726257	1.03
215.0453491	0.54
216.8687134	0.21
219.1753845	3.34
221.1646729	1.62
222.8091125	0.81
225.3520203	1.73
227.2953491	3.74
229.1938171	0.53
233.1059875	1.59
235.2800903	1.12
236.2008362	0.22
237.26297	6.42
239.2170105	12.25
241.3834534	0.28
243.3149414	3.46
248.1740723	0.58
251.2322388	3.43
253.1577148	3.22
254.4134521	0.10
255.1316223	2.57
256.2484741	0.25
257.2535706	0.36
260.51651	0.36
261.2807617	5.65
266.8074341	0.25
269.1051941	0.30
277.335022	1.34
279.2415466	100.00
280.2721558	0.30
281.1637573	0.32
284.7095337	0.39
288.1027527	5.38
288.9616089	0.17
296.6177979	0.55
297.361908	0.80
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
98.81391907	0.22
104.7809448	0.85
141.1556244	0.57
169.9854431	5.09
183.0037079	100.00
184.1493225	16.26
196.9528503	17.84
197.9990234	6.57
199.0527344	1.58
211.0986633	1.09
211.9919434	0.41
214.32724	0.57
225.1463623	7.90
225.9708252	1.44
226.9783936	0.34
239.1101074	3.75
240.2589111	3.57
247.286377	7.89
249.3002319	8.03
251.2413025	1.63
253.1408081	3.43
254.2029419	0.53
255.1471863	0.65
263.1678162	1.28
265.1137085	1.61
267.2592468	11.20
269.2967529	1.20
282.4358521	0.89
283.2538452	3.21
291.3383484	0.60
293.360321	15.95
295.4481812	1.94
311.3082886	11.63
312.414917	1.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.221
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
91.05393982	1.76
95.01669312	1.39
99.04646301	0.18
101.0260925	1.48
109.0883026	1.11
110.9332123	0.48
119.2748795	0.91
124.9339142	0.71
127.1655121	0.64
128.0570679	0.18
129.1385651	0.78
130.8864594	0.45
133.0413513	1.08
135.055191	1.54
137.0239258	1.19
139.0248871	1.66
140.9873505	0.66
143.0315552	1.77
149.0446777	2.33
151.1049652	2.63
151.7832642	0.18
153.1456757	0.96
154.1171875	0.22
157.0395813	1.47
159.1015625	1.68
161.2236328	0.28
165.0598145	0.33
166.8262634	0.26
169.1086121	1.80
173.1002808	0.81
174.7949219	0.46
175.4108887	0.35
177.2460785	1.10
179.0377045	0.68
180.9509277	0.99
182.6009521	0.94
183.2090759	1.10
184.2046204	0.64
185.1407013	0.41
186.9727173	0.52
188.8826294	0.18
191.2366791	0.86
192.1462097	0.84
193.0665741	0.31
195.1165771	3.00
197.0111389	3.16
199.0386963	0.37
201.1803284	1.13
204.4276123	0.48
205.1622925	1.25
207.2319031	1.26
211.1292114	2.26
212.206543	0.70
213.1023865	2.39
214.9547424	0.36
217.3078308	0.35
219.4051208	0.26
221.051178	2.15
223.1565247	0.16
225.050293	1.67
226.7870178	1.34
227.5177917	0.29
229.140564	0.55
230.299408	1.10
233.0899658	1.72
235.2365723	0.63
237.3148804	2.48
239.2866821	2.38
240.2937317	0.20
241.4589844	1.03
242.3031921	0.51
243.399353	0.40
247.0413513	2.18
249.2116699	0.76
250.0038452	1.10
251.2550354	1.39
253.2064819	8.68
254.0775146	1.04
255.122345	1.83
257.4525452	0.46
261.5008545	0.33
263.3486328	0.76
265.3092957	5.89
267.354187	3.59
269.296936	2.62
270.2145386	0.43
275.2402954	19.00
279.367981	0.58
280.9802856	1.76
283.2043457	4.95
284.0386658	0.33
293.2018433	100.00
293.8512878	0.82
296.2453613	1.83
298.9073181	0.62
302.6303101	0.78
310.6867065	0.85
311.5879822	0.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	313.0563
Annotation	Norbergenin
Peak:m/z	Relative Intensity
97.2329330	0.07
100.7303467	0.30
107.1730652	0.49
110.9190979	0.23
113.0325699	0.36
121.0105438	0.50
124.1202545	0.11
126.0834351	0.05
129.0055237	5.87
132.9947815	0.13
142.9641418	0.18
146.9123230	13.35
148.9336853	0.13
151.0298920	1.75
152.1712952	0.20
155.0315094	0.16
158.9932861	0.30
161.1073608	2.12
165.0998230	0.09
171.3021851	0.06
172.9862366	3.62
181.2224731	0.20
189.1891327	0.07
190.9625854	100.00
194.1729126	0.07
195.0505371	0.28
197.3616943	0.08
206.1157227	0.07
212.3111267	0.13
215.2836304	0.09
224.0043945	0.24
227.0516968	0.03
228.8557129	0.10
232.2593689	0.07
233.1384888	0.28
238.4677124	0.07
239.1871338	0.27
240.8703613	0.05
248.1916504	0.39
249.3519897	0.22
250.3200073	2.90
251.3000488	0.60
258.4087219	0.36
266.0072937	0.04
267.0249939	0.43
268.2333069	1.75
269.0400696	0.76
269.8376465	0.13
276.2705383	0.24
277.2356262	0.45
283.1330566	0.05
284.1872864	0.07
294.4548035	3.12
295.0914001	18.03
298.2797241	0.08
303.7327881	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	202.072
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
69.9512558	1.51
70.8493576	1.56
71.8422089	0.59
86.1154327	3.79
86.9568939	67.43
87.8778152	14.83
95.8046722	0.13
96.8324738	0.96
99.9326172	0.08
113.8875580	96.60
114.9673767	21.86
117.0971222	0.22
131.9448853	6.12
140.0604706	7.76
158.0327759	95.53
173.0253754	0.18
183.9958191	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	327.072
Annotation	Bergenin
Peak:m/z	Relative Intensity
103.0754852	0.03
109.2303009	0.06
111.2568970	0.05
112.9765930	0.08
114.9215240	0.05
118.9368057	0.06
125.1163330	0.17
127.2230759	0.04
129.0259247	1.36
135.3795471	0.03
143.1465454	0.08
145.2037354	0.05
147.0217896	3.51
149.2171631	0.07
161.0093384	0.28
162.1785583	0.03
169.3150330	0.02
173.0631714	0.46
183.1245270	0.05
191.0268860	100.00
192.2067719	0.02
205.1343994	4.35
209.0395813	80.25
214.3235779	0.07
217.1548462	0.07
220.9828186	0.11
221.8952637	0.10
225.2883606	0.05
231.0951843	0.03
235.1931152	0.11
238.9846191	0.05
240.7839661	0.03
244.0539551	0.16
249.4330139	0.14
255.1861877	0.04
264.0235596	0.15
265.3905029	0.09
269.5036011	0.19
272.5873108	0.15
280.1839294	0.13
281.1780090	0.59
282.6500244	0.27
283.2595825	0.22
285.1237488	0.05
289.0046082	0.06
291.0425720	0.16
296.3337402	0.07
297.1240234	0.04
306.9412537	0.09
309.1905212	5.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	503.92
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9962463	2.20
160.0212708	0.44
161.0257721	1.44
161.8954010	0.07
198.8733368	0.31
200.2430725	0.28
200.9330750	0.20
228.9582520	0.56
230.2001343	0.24
231.0408020	0.50
246.9746857	0.08
272.9610291	27.46
274.0138245	14.64
275.0271606	33.05
276.0604248	5.78
346.1104126	0.12
386.9797668	25.58
388.0497131	28.40
389.0078735	100.00
389.9542542	30.35
412.9962463	0.18
414.0710144	0.05
419.1518250	0.18
429.1878967	0.20
429.9386292	0.05
431.0933228	0.09
456.9071960	0.29
457.7897034	0.08
458.9737244	0.28
460.0632629	0.14
485.2893372	0.04
486.2107849	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	363.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
119.0567169	0.10
123.0302887	1.08
135.9754028	3.11
147.0905609	0.84
164.1683960	1.02
164.9401703	8.67
182.0325928	100.00
183.0102692	0.71
200.0279999	13.75
201.1306458	6.02
213.3046875	0.08
223.1590881	0.13
233.9643860	0.23
265.3121643	0.36
281.8742371	0.14
282.7400513	0.25
288.3065186	0.28
301.0892944	0.42
301.8138733	0.14
308.6541138	0.08
316.2775879	2.74
317.2742920	0.88
318.2094116	0.15
328.0640869	0.10
335.6270752	0.42
345.3775024	0.40
353.8448181	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
95.11943054	0.46
96.96858215	3.49
98.91623688	1.20
106.8142853	0.13
109.0448303	1.26
111.0779877	0.25
119.1270599	0.30
120.9861755	0.24
123.3515549	0.19
124.7337036	0.15
126.1746521	0.14
127.0533142	0.14
129.1143494	0.33
133.0397644	0.39
137.1349182	2.23
139.0480042	11.29
141.1306458	0.20
142.2582703	0.22
145.2018433	0.20
148.9091339	0.21
153.053421	1.75
156.7425385	0.18
159.2421722	0.21
161.1053467	0.52
163.1905518	0.19
165.0139771	0.11
166.9967804	0.73
168.9852905	0.68
173.2310791	0.15
179.0086975	0.19
181.1074066	1.19
183.3188171	1.33
185.0056	0.79
187.0948334	0.19
192.0982819	0.09
193.2105865	0.44
195.5364075	1.07
196.5533752	0.71
197.1749268	6.67
199.2275391	1.21
201.0747375	0.25
203.3451538	0.22
205.2418518	0.85
209.2401733	0.57
211.0900574	1.64
213.156311	1.26
219.2236023	0.41
221.1444702	2.30
223.2087097	0.35
229.2219238	0.39
233.0804749	1.24
233.8601074	0.41
235.3796997	0.29
237.0857239	2.33
239.2581787	17.66
241.2511292	1.10
243.1954956	0.77
251.3782959	0.81
253.2817383	2.06
254.0024414	0.14
254.9329834	0.59
255.5377197	0.77
257.2078247	1.98
261.1368408	2.81
263.260498	0.53
265.2875671	0.28
269.2424622	0.61
279.2392273	100.00
282.8771973	0.30
297.308197	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	518.3228
Annotation	PC(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
165.9652405	0.61
174.9156189	0.10
179.3376160	0.11
181.8430939	0.29
184.1135559	100.00
202.2458344	0.27
226.8830872	0.06
253.3291473	0.25
255.5624847	0.30
258.2150879	0.35
265.6484985	0.18
274.1342773	0.14
296.1940308	0.09
309.5483398	0.29
310.3623657	0.23
333.5888062	0.25
335.2661743	0.08
336.0083618	0.32
339.9154053	0.12
341.3610840	0.12
382.3177490	0.40
388.2196655	0.15
409.2083130	0.24
412.5649414	0.09
414.2282715	0.09
418.3030396	0.24
419.3507690	0.13
426.6663208	0.10
441.8278809	0.37
454.2700806	0.17
456.2916870	0.12
458.6027222	0.07
462.4839478	0.23
473.0184937	0.08
487.4827881	0.81
500.5095825	75.33
502.7366333	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
91.00138855	0.18
93.00794983	0.19
95.03224182	1.70
96.91397095	0.93
99.05841064	0.70
103.0033264	0.09
104.7731781	0.05
107.0128403	0.07
109.010582	2.97
111.0467224	0.50
112.9719391	0.73
119.0444717	0.08
120.8688354	0.37
122.9268036	1.19
124.9960938	0.49
126.9683151	0.51
128.8636169	0.05
133.3193665	0.12
134.9814606	0.69
137.1245422	0.58
138.9753113	3.85
140.9798584	1.27
143.0784302	1.12
147.3878479	0.13
149.0636597	0.87
152.9732666	1.71
154.658432	0.33
157.1010437	0.25
159.0664062	0.32
161.3099518	0.18
163.0424347	0.32
165.0108032	0.14
167.1614685	0.96
169.0609436	1.76
171.1122589	0.49
173.2262878	0.23
175.0851746	0.54
177.2252197	0.37
178.8548889	0.82
181.2669373	0.38
183.0652161	1.11
189.064743	0.96
191.0046387	0.12
193.1500397	0.51
195.109848	2.40
197.0389404	6.08
198.7477722	0.07
201.1326904	0.47
203.1325378	1.83
205.025116	0.40
207.1299133	0.74
209.161499	0.82
211.2686462	2.04
213.2862549	0.22
215.2176819	0.10
217.026825	0.40
219.2899475	0.30
220.1222839	0.08
221.1548462	5.54
223.1897583	0.84
225.178833	0.60
227.3359375	1.03
233.2145996	0.96
234.5486755	0.25
235.1967163	0.41
237.3036194	3.35
238.2457886	0.22
239.2679749	7.96
241.2158508	0.63
243.2109375	0.75
244.4516296	0.25
251.2490845	0.92
253.2431335	0.34
255.348175	2.40
256.118042	0.08
257.0542297	1.26
261.2293701	2.76
263.1786804	0.11
264.9749146	0.13
269.3840027	0.18
279.2222595	100.00
280.1219482	0.51
281.1105957	1.26
297.27771	0.93
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
111.8159790	0.08
116.9773865	0.87
128.9437408	0.06
129.9786377	0.17
134.0292358	0.19
135.0040436	0.09
137.0611877	0.14
147.8596191	0.14
155.2639008	0.13
156.1408691	0.15
157.0333862	0.03
161.5441284	0.08
162.8849182	4.63
175.0904236	0.11
177.0852356	0.05
180.1023102	0.05
181.0177917	0.24
183.1745300	7.82
184.0896759	0.56
185.7259521	0.22
186.6207123	0.05
189.8322449	0.07
198.0546875	0.17
200.0529327	0.15
203.2015076	0.35
204.2555389	0.04
210.0766296	0.08
211.0866089	3.75
212.2166748	0.55
214.1681519	0.24
218.5553284	0.24
219.2143860	0.09
227.0144958	0.17
228.1036682	0.93
229.1313782	0.14
232.5133667	0.27
237.0712280	0.06
239.0495605	0.04
241.3443909	5.49
242.6952515	0.21
245.8036194	0.09
248.8796082	0.20
250.2974243	0.65
251.2430420	0.03
253.1737976	0.05
255.9833069	0.11
257.0377808	0.05
258.4707336	0.11
262.0367737	0.08
263.0418091	0.36
265.1424866	0.10
266.3135986	0.14
268.5469360	0.58
271.0197754	0.23
275.3589478	2.84
278.7802429	0.21
280.5504150	0.15
281.6564941	0.32
283.8665161	100.00
284.8171692	0.98
285.8615723	0.20
286.9180603	0.51
289.1031799	3.87
289.7263794	0.40
291.0274963	0.13
293.4589844	0.21
295.5096436	0.27
296.4196167	0.40
297.8655090	57.91
299.3309937	0.15
300.6920166	0.46
306.7819214	6.00
307.4397888	0.13
310.6623230	0.39
312.3091736	0.42
314.1909790	0.29
317.4729004	0.09
319.4887695	8.42
320.5335083	0.84
322.0610352	0.15
323.2935181	3.23
324.2577820	17.75
325.0785522	6.38
325.9974060	0.12
333.5574646	11.49
334.4578247	2.39
335.4910889	0.25
341.3436890	0.07
351.6498718	0.04
356.3239441	0.69
367.2947388	1.68
368.3832092	0.41
407.3251648	0.31
435.3724060	0.08
438.3807068	0.33
440.3793335	0.08
453.3651733	0.11
455.6462097	0.06
456.3810120	0.29
464.4475708	0.90
466.3837280	0.11
468.3203430	0.09
469.5824585	0.46
470.5637512	0.29
473.4392395	25.92
474.5479431	4.07
481.4378052	6.23
482.4666443	0.76
483.5239868	0.11
484.3377075	0.22
497.3254700	0.83
498.3965759	0.46
511.7477722	0.30
513.4707642	0.10
521.3574829	0.09
525.7260132	0.10
532.4546509	0.14
537.1450806	0.16
538.4017944	0.05
550.9044800	0.05
553.5889893	0.08
560.6000977	0.06
566.4473267	0.05
567.7784424	0.24
568.6215210	0.06
569.8164673	0.08
576.8231201	0.42
577.4982300	2.37
578.3103027	0.13
580.5598755	0.10
581.4296875	0.06
586.5405884	10.05
587.6345215	2.70
594.5181885	10.13
595.6541138	2.91
612.6022339	1.14
613.6375122	0.09
614.6448975	0.16
666.7096558	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.17
Annotation	5S-HETE-d8
Peak:m/z	Relative Intensity
98.83361816	3.98
118.8788757	0.55
129.0432587	1.76
135.1989441	0.69
138.9328613	0.83
165.1684875	1.10
169.9761353	2.66
171.0947113	1.92
179.1838684	1.03
183.0133514	100.00
184.1257935	17.49
185.3704529	0.75
197.0805206	10.40
198.0751801	3.33
200.3283081	0.51
203.2125549	0.46
211.2397766	1.28
211.9934998	3.97
213.2431641	1.04
217.1976318	0.64
222.3526306	1.86
223.1764832	0.99
225.1203003	4.88
226.0548706	0.85
231.039093	0.60
238.3208618	0.78
239.1931152	3.60
243.2594604	0.81
247.3742981	6.34
248.2441406	0.80
249.2099915	7.10
251.3908691	1.06
253.2072754	1.37
255.5175171	0.81
257.103363	0.69
266.14151	3.75
267.2105713	11.08
272.9929199	1.01
275.1565552	1.59
292.3331299	1.22
293.291687	37.55
295.2312317	2.26
296.2067566	0.64
311.2749023	23.06
312.6388245	0.60
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
206.8372040	0.27
290.8531494	1.24
310.0610352	0.02
366.0758057	0.03
374.7414551	0.66
456.8664551	0.06
458.7384644	11.16
460.7952271	0.94
477.8353882	0.04
478.7792969	0.05
488.7835083	0.02
490.6431885	0.58
506.6761475	0.16
518.5236816	0.02
520.0095215	0.85
520.7187500	5.04
540.2107544	0.02
542.5875854	100.00
543.3712769	0.54
550.9576416	0.07
554.8184204	0.07
562.6916504	0.24
566.7853394	1.12
579.6335449	0.28
580.5010986	2.16
581.1823120	0.36
596.3441772	0.04
603.4612427	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	492.1997
Annotation	Grossamide K
Peak:m/z	Relative Intensity
166.1627197	0.16
167.7646179	0.11
171.1436157	0.08
188.9780884	0.16
202.9950256	1.99
221.0436859	0.29
231.1092224	0.29
237.1855927	0.08
260.1806030	0.23
261.3087463	0.11
268.0546265	0.14
270.1596069	0.08
274.1505432	0.07
285.1608887	0.15
287.0657959	0.14
290.9272766	0.08
308.2893677	0.09
309.2500000	1.44
313.1310425	0.70
315.3919067	0.22
319.1269226	0.09
325.1456299	0.05
327.2680664	4.79
328.2112732	0.39
329.3103638	0.44
330.2984009	0.92
345.1361389	18.31
345.8674316	0.16
350.1353455	5.26
363.2210999	21.95
374.9541016	0.07
388.0190735	0.09
389.1739197	0.09
393.6202698	0.10
399.2997131	0.65
401.6112976	0.43
414.0851440	0.07
417.2407532	1.34
428.8735046	0.11
432.5516663	0.64
433.4927368	0.28
438.4361572	0.14
442.3698425	0.14
446.0212097	0.21
447.0567932	1.36
456.3809814	1.51
474.2158813	100.00
475.0920105	0.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	524.2
Annotation	Herbicidin E
Peak:m/z	Relative Intensity
146.9782562	0.32
163.0748596	0.03
164.9649048	14.87
182.0244293	100.00
193.0258636	0.04
258.9605713	0.05
271.2844849	0.18
289.2060547	0.04
324.6412964	0.58
325.3500977	0.03
343.5694580	0.60
344.2637939	1.91
361.7616577	2.43
362.4421997	0.40
395.3040771	0.09
452.2946777	0.04
505.0702515	0.07
505.9441528	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.9564056	0.10
107.9761810	1.31
109.0189819	5.51
111.9788971	0.07
123.0059814	0.18
131.0385895	0.26
135.0319061	0.11
135.8851013	0.07
139.0933685	0.16
142.9131317	0.04
151.1195984	1.54
152.9708862	100.00
154.0650177	0.15
156.2402191	0.04
161.1936493	0.05
161.8333435	0.06
163.0401154	0.38
164.9713745	0.89
168.1157227	0.10
174.9465179	0.26
177.0801086	0.21
183.0771484	0.33
185.1349945	0.16
192.8744812	0.17
194.3890076	0.51
195.1512756	0.68
199.0128784	0.11
201.1468353	0.13
206.9749756	0.18
208.9842834	0.07
211.2079163	0.05
217.1147156	0.12
219.0617371	0.03
224.5669556	0.10
225.1707153	0.53
227.8825378	0.08
230.1653442	0.11
236.0904541	0.08
237.3965454	0.10
240.2805481	0.07
243.0740967	0.18
247.2237549	0.08
251.5104980	0.08
253.0562439	0.69
255.2428894	0.07
257.1600952	0.16
259.7894592	0.14
268.2239380	0.24
269.2047119	0.71
271.0101318	0.40
278.5451050	0.53
279.3269958	0.09
284.3059082	0.13
285.2925415	0.09
296.4620972	0.72
297.2515259	0.81
300.4423828	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
85.07236481	0.36
88.89532471	0.11
95.02983093	3.22
96.91332245	1.22
98.99384308	0.54
101.0285034	0.08
104.9554901	0.14
108.9296799	1.81
110.9158478	0.96
113.0419922	0.89
115.126358	0.11
118.8935242	0.33
121.06707	0.56
121.8879547	0.14
122.9835052	3.01
124.9232712	0.74
126.9187546	0.98
128.2302399	0.19
128.9740295	0.14
131.0169373	0.29
132.1394653	0.06
133.1163635	0.94
134.9551392	0.81
136.1743164	0.29
137.1390228	0.62
139.1321106	2.63
140.8661499	0.60
142.898819	0.68
147.0831909	0.47
149.1159973	1.06
151.2829285	0.38
153.0114746	2.80
155.0523682	0.98
157.1769714	0.61
159.1204529	0.77
161.1011963	2.62
162.893631	0.37
164.5529175	0.11
165.1683502	0.15
167.2008667	0.60
169.0257111	2.63
171.1189117	2.30
172.16745	0.28
173.1763	0.44
175.1911774	1.60
177.2610931	0.66
179.1316833	0.73
181.2188721	1.24
183.0850067	4.89
185.2000275	1.52
187.1102295	0.17
189.0995483	2.40
190.4154358	0.09
191.2434692	0.11
193.1767426	1.27
195.1064148	1.09
196.9946747	8.20
199.2586365	2.93
201.0835266	0.81
202.0385132	0.15
203.2260132	2.49
204.9338074	0.33
207.1156006	1.78
207.7731018	0.08
209.3094177	0.77
211.1332092	7.96
213.2751465	2.44
215.1619873	1.20
217.4618225	0.14
219.3132019	1.89
221.2420959	4.94
221.910675	0.12
223.1828918	1.67
225.1361694	6.53
226.0776978	0.30
227.111969	1.77
229.2400818	0.84
233.1394958	1.63
235.1098022	0.10
237.2306824	7.86
239.2065735	19.23
241.071228	1.31
243.2186279	3.27
248.1166992	0.11
251.2211304	1.97
253.4294434	0.26
255.2294006	2.01
256.2659302	0.24
257.0905151	2.70
261.2006836	4.77
262.446167	0.39
269.1126099	0.11
279.2365112	100.00
280.521698	1.52
288.3082886	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
92.8409729	0.21
94.98498535	0.68
97.00117493	0.19
98.03115845	0.36
98.8667984	0.31
101.0687408	0.31
108.7623138	0.28
110.9704895	0.87
113.9320984	0.25
119.0158081	0.64
120.9866028	0.78
122.9745865	0.88
124.9748917	1.25
126.0546722	0.51
127.0696259	0.33
130.889679	0.64
133.1420288	1.09
135.0681915	0.59
137.0304413	0.19
138.9382019	1.98
139.9901733	0.49
140.5909424	0.19
141.3025818	0.65
143.0481262	0.62
147.3161774	0.50
149.2012024	1.52
150.1872559	0.33
151.2748108	0.49
153.0708923	0.47
154.0389404	0.59
155.1080322	0.61
157.0640259	1.48
161.0996094	0.32
163.2364044	0.72
164.7347412	0.48
166.960083	0.62
168.9581299	2.74
170.3856659	0.95
171.3317871	1.17
173.2457123	0.79
175.085434	1.75
176.8985138	0.79
178.8085327	1.45
181.0776215	1.51
183.04216	1.56
184.443573	0.12
185.2330322	0.16
187.3152008	0.19
191.1740417	0.51
191.9664917	0.73
193.0185547	1.85
194.0621948	0.34
195.0654602	5.03
197.0946808	3.78
199.1580048	0.44
201.1627197	1.83
205.292572	0.34
207.1133423	1.37
208.9425659	2.29
211.164978	7.13
212.3405762	0.78
213.1495056	0.68
214.2193909	0.36
218.2893372	0.59
219.2533264	0.65
221.1494141	0.61
223.285675	1.06
225.2921753	0.34
227.2357178	2.23
228.8310547	0.52
232.0874939	0.19
233.0345154	2.59
235.12677	3.65
236.0260925	0.90
237.0465393	2.83
239.2078857	1.34
241.3231506	0.93
242.2052612	1.19
243.1598816	0.87
246.3969116	0.32
249.2308044	0.33
251.275177	2.22
253.1206055	7.94
254.274292	0.85
255.2065735	0.55
257.0137939	0.73
259.3075867	0.32
263.2467346	0.32
264.2138367	0.44
265.3353271	1.95
267.2105713	3.49
269.2034302	2.35
270.4514771	0.20
275.258606	17.71
278.7611084	0.66
281.3213196	0.30
282.0473022	0.36
283.1368713	8.65
290.3652649	1.12
293.2053833	100.00
294.0617981	0.24
301.7139893	2.95
302.6627197	2.29
307.183136	0.21
310.5680237	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.0877
Annotation	Met-Abu-OH
Peak:m/z	Relative Intensity
98.59602356	0.07
101.0645142	0.39
106.5889587	0.10
111.0775528	0.69
113.0679779	0.77
118.9904327	1.75
124.9642792	0.18
128.9845123	4.52
131.0791321	0.62
139.0409851	0.14
143.0475464	1.83
149.0960999	0.17
161.0996094	1.94
177.9202118	0.08
179.0452728	6.54
184.2457886	0.17
185.157959	0.08
185.9287872	0.08
187.009201	0.49
203.2272034	0.10
205.0074768	11.94
209.1030579	0.22
210.1126709	0.10
215.513916	0.19
219.4555969	0.08
221.0517273	0.06
223.0696106	100.00
224.1992493	0.11
227.3769836	0.08
229.7987671	0.07
235.2124634	0.67
242.9708557	0.10
245.214325	0.06
250.0142517	0.28
255.3640137	0.13
268.0477905	0.08
269.2991028	0.06
279.2627258	0.11
281.0386658	0.15
287.5552368	0.09
295.2336121	0.88
296.1869812	0.46
297.2712402	1.08
298.0766602	0.09
299.2226562	0.09
302.9534912	0.07
305.1151733	0.27
306.5435181	0.06
309.3603821	0.10
321.2354736	0.27
322.2592163	0.57
323.161377	1.59
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
96.81401062	1.04
97.72431183	0.35
98.79734802	0.24
118.9472809	0.38
130.8532715	0.13
146.9836426	0.44
151.280426	0.25
167.3590851	0.63
169.957901	4.26
170.9090271	0.28
176.1396942	0.31
177.2106323	0.17
183.0135803	100.00
183.9664001	14.92
185.1827393	1.36
197.0819702	13.05
198.0102234	13.12
205.0889893	0.16
210.0412598	0.55
211.0912781	0.58
212.0892029	4.28
213.2590637	0.17
224.9971924	3.80
226.2141113	1.91
227.3184204	0.42
239.2218323	5.55
240.1961365	4.14
241.1529236	1.30
243.3457642	0.34
247.157196	9.49
248.4679565	1.37
249.3383484	3.49
250.371521	0.24
251.4248047	0.19
253.3290405	0.35
254.0768127	0.15
255.4390259	2.46
257.0327148	0.67
265.0514221	0.90
266.6209717	0.48
267.3655701	5.07
269.0719604	0.15
275.0111694	0.30
282.8459473	0.86
283.4540405	0.91
291.2191162	0.20
293.1208496	12.46
295.0446167	0.42
296.0103149	0.27
311.2380066	10.54
312.2532043	2.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	712.197
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1847992	0.05
216.9973907	0.02
224.2224426	0.02
235.0840454	0.01
246.9019775	0.02
253.0668945	0.07
258.3084717	0.04
258.9628601	0.24
262.1280212	0.06
271.0626831	0.26
277.0220032	0.31
280.1796875	0.76
289.0330200	3.79
289.6648865	0.05
290.4829407	0.07
291.3238220	0.02
294.9991150	0.25
307.0375061	0.52
308.3348389	0.02
319.0549927	0.07
322.3608398	0.01
324.4239502	0.11
325.0403137	2.42
335.5452881	0.09
336.8806763	0.24
339.4099731	0.02
342.9714966	1.06
354.4715576	0.07
355.0868225	0.06
360.8100586	0.32
364.8191528	0.11
370.1002808	21.05
371.1809082	0.43
374.7843018	0.04
376.4072876	0.06
379.1068115	0.03
395.1437988	0.04
396.9943848	0.88
400.0660400	0.02
414.9064941	0.14
430.2822876	0.04
450.1196289	0.09
451.1457520	0.97
451.7593994	0.02
456.8497925	0.32
460.0408325	0.99
468.9365845	0.11
484.4525146	0.06
485.4150391	0.03
487.0928955	0.20
499.8512573	0.03
502.1308594	0.02
503.8079224	0.09
517.0364990	0.88
518.2338867	0.04
522.9268188	0.06
534.4276733	0.22
541.1631470	100.00
542.3493652	0.72
543.2957764	0.13
544.3108521	0.23
545.5071411	0.28
546.1948853	0.09
549.1981812	0.02
549.8891602	0.12
550.8831177	0.04
553.4671021	0.07
558.8256226	0.35
575.1100464	0.02
577.0026245	3.55
622.1713867	0.02
648.1569214	0.08
649.3780518	0.25
662.0225220	0.02
737.0750122	0.53
739.1012573	25.34
739.7715454	0.19
798.2935181	0.05
1038.7758790	0.06
1080.1533200	0.06
1080.9785160	0.36
1159.5344240	0.02
1420.9542240	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	429.075
Annotation	Unknow
Peak:m/z	Relative Intensity
147.8360138	0.01
148.9655914	0.02
152.9967804	0.02
164.2088013	0.07
172.0132751	0.10
203.4211426	0.03
207.9685059	0.05
214.1301575	0.02
220.1198578	1.87
221.1366882	0.20
231.9631500	0.02
233.2070312	0.01
241.1446533	0.03
247.0884399	0.02
261.2418518	0.03
262.4078979	0.02
264.0707703	9.85
265.1169739	1.35
268.1739197	0.04
278.3082275	0.03
281.9652710	0.21
283.0170898	0.12
291.1138306	0.92
292.1711731	0.19
296.3754272	0.03
313.9462891	0.02
325.1907349	0.01
331.3003540	0.20
341.1083374	0.12
365.4675903	0.03
366.2507019	0.09
367.3463440	0.09
372.1229248	0.02
378.4317932	0.02
381.3274841	0.05
383.2286682	100.00
384.1725159	24.87
385.1914368	25.14
386.1972961	4.32
388.2792358	0.07
393.8312378	0.13
400.9264832	13.36
402.0507507	3.07
402.9549561	0.07
410.1025696	0.03
411.1543274	0.05
412.2980042	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	228.1588
Annotation	N-Octanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
96.0736694	0.03
97.5657349	0.02
107.0304260	0.04
113.9757233	0.02
119.2283020	0.03
128.7791290	0.06
142.0601807	0.08
148.0391388	0.06
150.1262665	3.26
151.0388031	0.20
164.2886200	0.11
166.0799255	0.05
168.0620728	42.48
182.0749207	0.03
192.1472168	0.35
195.9694061	0.03
208.1107330	0.07
210.1048431	100.00
211.1288452	0.12
228.5129547	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
93.06176758	0.23
101.0835495	0.51
107.0242462	0.81
107.947113	7.82
109.0139923	9.87
109.8114471	0.09
113.0785217	0.90
118.983345	0.10
120.9413986	1.88
122.0008469	0.09
123.0809326	1.04
124.8821335	0.07
132.9787292	0.20
134.4388123	1.02
135.6205139	1.18
137.0671692	0.17
145.1201477	0.60
149.2055359	0.10
151.0178528	6.93
152.0216522	40.07
153.0200195	100.00
161.3157349	0.37
163.078949	8.17
165.0289307	13.75
166.9781494	0.24
175.1411285	0.40
177.0424805	1.85
178.0823975	0.18
179.0912781	4.59
181.1061707	2.41
188.9862518	0.53
190.7420349	0.32
193.0954895	1.25
194.985199	3.89
204.9983215	0.35
207.0966492	3.95
215.1452942	0.27
217.0849609	0.53
219.1236572	1.36
221.043396	0.09
225.1831665	10.11
229.3446045	0.53
237.0371704	1.68
248.9324951	0.44
260.9796143	0.15
269.0919495	0.26
271.3162537	0.12
279.2584229	0.21
297.2713318	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.283
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
116.9675674	2.92
121.0701752	1.60
122.9480438	2.37
124.2938461	3.29
127.0770569	5.90
129.05867	2.01
130.900116	8.66
132.8335571	4.52
135.2195282	1.94
137.0379486	0.91
139.1130981	1.07
141.1049347	11.57
144.3049927	2.09
147.2060699	0.96
149.0209045	100.00
150.1072845	28.25
151.0902252	0.67
152.9981842	1.38
155.0880585	3.36
159.2409668	0.76
161.0621033	4.62
162.7988586	2.92
165.1134033	5.28
166.9614563	38.07
168.0435486	14.72
169.1303711	7.32
171.0415344	5.33
173.0584106	3.09
174.9743347	3.25
178.1140747	2.77
179.1769562	3.16
179.9943848	0.54
181.2302399	1.62
182.8999329	1.98
185.3417511	1.31
189.0935516	1.90
193.1009216	7.56
194.8453979	0.91
198.8612976	1.86
202.0983276	0.68
203.0570068	3.19
207.1827698	0.84
213.080658	4.17
215.0480347	3.96
216.9063721	0.45
220.1309967	0.91
224.6072083	3.46
231.1452637	4.46
233.228302	2.38
244.1288452	2.61
247.8930664	1.31
249.1186523	4.81
249.9778748	2.64
251.3369141	4.65
254.9981079	1.00
257.8589478	1.78
259.3957825	2.14
260.2203674	3.04
261.2323608	5.00
262.0309143	4.36
265.0487061	2.29
266.289856	0.83
267.3486938	5.89
272.6050415	0.99
275.2781067	1.15
276.8065186	0.67
278.8230591	19.50
279.9914551	20.85
287.0093689	1.53
289.2521973	1.60
292.2914734	4.26
306.3344727	1.24
309.3758545	0.84
311.2595215	7.04
313.1210938	0.68
314.6828003	1.44
315.9287415	4.73
318.4957886	2.26
319.2044373	3.32
320.2117615	3.21
325.1997375	5.11
329.4363098	4.96
331.294342	6.89
332.166626	0.88
333.6094055	4.40
334.3877563	5.36
339.363739	0.60
343.0927734	6.86
345.4807129	1.15
346.1479492	1.69
347.3999023	2.83
348.2223511	1.74
350.3897095	0.91
351.1242981	5.44
357.2735291	2.92
361.0281982	14.92
361.6671143	1.80
371.8935547	3.35
373.1564941	8.95
374.3974915	26.18
375.1689758	9.07
375.8822632	1.19
383.1651917	2.22
391.4930725	1.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	385.11
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
131.7609863	0.02
134.9199219	5.29
136.9398193	0.12
138.9826508	0.04
149.0407410	0.03
161.1202393	0.06
165.0125732	0.05
171.1631317	0.05
190.8011017	0.15
195.2222595	0.03
204.9580078	0.15
223.3175964	0.06
227.1068420	0.05
236.9784241	0.09
249.1672974	8.77
255.2167053	0.07
267.1470947	100.00
268.0522156	0.05
269.3039551	0.11
282.3265381	0.06
291.2144775	0.06
293.1381836	0.02
294.0720825	0.04
296.3823853	0.15
299.1591797	0.06
306.3225708	0.02
311.2651062	0.02
319.0373535	0.04
322.4592896	0.05
323.1479492	0.07
324.1393433	0.04
325.2951965	0.16
327.8425293	0.15
335.9291382	0.03
338.3950195	0.28
339.1767578	0.88
340.5987549	0.96
341.2448730	1.97
347.1793823	0.03
348.1993408	0.04
349.7007141	0.12
354.3115540	0.12
355.1788025	0.04
365.2768250	0.03
366.4829407	0.10
367.3735962	0.21
369.5513611	0.02
384.5207214	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.2249
Annotation	Citbismine C
Peak:m/z	Relative Intensity
241.2204285	0.03
269.2102051	0.10
281.1254883	0.17
339.0756836	0.07
340.1012878	0.11
341.2000122	100.00
386.8351440	0.04
475.3458862	0.03
545.2789307	0.05
551.3532104	0.05
593.2693481	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	301.0554
Annotation	Fludiazepam
Peak:m/z	Relative Intensity
95.0176849	1.50
96.9435883	0.28
112.9861984	12.78
114.0539322	3.77
130.9440002	100.00
131.6864014	0.06
181.0504150	0.02
198.9752808	0.06
200.1226807	0.09
215.0616760	0.07
216.9219666	0.04
242.1443481	0.02
255.2634583	0.04
264.1059570	0.04
273.1475830	0.05
282.3339539	0.48
283.2129517	2.20
284.1470032	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	232.1173
Annotation	Suberylglycine
Peak:m/z	Relative Intensity
69.8450546	0.04
73.8657379	0.13
87.8411865	3.07
115.9208374	2.45
116.9684448	0.03
133.9268188	100.00
134.9174805	0.02
168.0619049	0.08
171.0995941	0.04
183.5635223	0.02
186.0196228	0.22
214.0691071	22.24
214.7033234	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	490.72
Annotation	Unknow
Peak:m/z	Relative Intensity
208.8166199	0.05
217.1009216	0.89
218.9977417	0.28
235.0382538	0.07
270.9186096	0.12
294.7276917	0.15
303.2184753	0.13
309.0642700	0.20
310.9867859	0.07
312.9064026	0.25
314.9728394	0.33
330.9960632	0.13
353.0300903	0.17
354.0722046	0.15
355.1110840	0.76
391.2471924	0.09
393.0940857	0.26
394.2796326	0.19
406.9415894	0.04
430.8203430	0.09
444.9029236	100.00
467.9865417	0.89
472.9978943	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	554.72
Annotation	Unknow
Peak:m/z	Relative Intensity
216.6748352	0.01
268.2413635	0.07
300.9843750	0.02
303.0007324	0.49
361.1260376	0.04
362.3308105	0.13
373.0031738	0.02
378.3146362	0.31
379.2463379	0.18
380.3263550	0.24
381.3747559	0.12
382.3385010	0.04
383.1386719	0.12
383.9494629	0.03
384.9349976	0.30
386.8023071	7.98
391.0575562	0.01
397.8125000	0.05
411.0230713	0.03
442.4363403	0.03
444.2473145	0.15
466.5769653	0.02
467.9591675	0.21
468.7782593	0.29
470.7029419	100.00
471.6147461	0.03
508.0927124	0.27
526.3054810	0.03
536.8963013	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	228.16
Annotation	Streptenol E
Peak:m/z	Relative Intensity
78.69623566	0.02
83.04286194	0.02
85.90058899	0.04
95.95579529	0.01
107.9827881	0.01
109.0870209	0.03
114.7703247	0.03
115.8217926	0.01
117.1572266	0.01
125.0668945	0.01
140.1732178	0.02
147.0427094	0.01
150.1544037	2.76
151.4087067	0.01
152.2338867	0.02
155.056839	0.02
155.9175568	0.04
165.9992371	0.04
168.1607361	4.45
169.2104492	0.01
172.3645325	0.05
175.3855133	0.02
182.1693115	0.10
183.1247101	0.03
184.1660919	0.04
186.7555237	0.25
192.2301178	0.43
193.4175568	0.01
198.1126099	0.03
200.1063385	0.20
205.1764679	0.02
206.9114227	0.07
210.1419373	100.00
210.9819489	0.11
211.9287567	0.02
228.3496094	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	665.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
199.0247345	0.01
212.1114655	0.01
221.2653503	0.04
231.1260529	0.01
254.2940521	0.41
257.2329102	0.03
259.1550293	0.03
275.0488892	0.01
284.2330933	0.03
286.0146179	0.02
296.0610352	0.04
306.2474976	0.01
326.3312988	0.03
327.2801514	0.03
328.1248779	0.01
330.2037354	0.70
343.8269043	0.01
348.0396729	0.02
355.8834839	0.07
363.6558838	0.02
365.0542603	0.05
375.3790283	0.01
380.2294922	0.03
387.0837402	0.01
394.9237061	0.01
400.1717529	0.01
416.1035156	0.69
416.7755737	0.01
431.3259888	0.01
432.1882935	0.05
440.2534180	0.01
443.5104370	0.01
444.4661255	0.01
458.1470947	0.01
459.3544922	1.20
461.1818237	100.00
462.3808594	0.31
463.3722534	0.02
464.3929443	0.02
489.4880371	0.01
499.6658936	0.08
500.3248291	0.08
503.4857178	0.02
541.8933716	0.02
544.0635986	0.03
547.4371948	0.01
549.3408813	0.03
559.9797363	0.17
561.5844116	0.01
574.2457886	0.01
600.9538574	0.02
602.2630005	0.12
604.4367676	0.01
618.8802490	0.07
620.2418213	2.31
621.1923218	0.25
629.2006226	0.01
647.2400513	0.02
648.1687622	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	384.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
119.0319290	0.24
133.1604614	0.05
136.9298096	0.37
137.9610443	0.06
146.1073608	0.16
146.9565277	0.04
148.4981995	0.09
149.1702118	0.12
163.0428162	0.68
163.9248352	0.11
176.1982574	0.04
178.2109680	0.75
179.0401306	0.08
180.1120911	12.91
202.8314819	0.11
204.1290283	0.04
205.0919647	0.30
220.1092834	0.17
222.1712036	100.00
225.0973816	0.10
226.8273621	0.11
233.2675781	0.10
245.2058716	0.10
249.1549377	1.07
250.3467712	0.05
251.2119446	0.21
261.0161743	0.08
261.9746094	0.20
264.1181641	1.66
267.3091736	0.16
268.0815735	0.07
276.0319824	0.09
279.1231079	0.12
289.4936829	0.08
290.2211609	0.03
291.3047485	0.22
293.3745117	0.23
294.2987671	0.53
297.4935913	0.06
299.2216492	0.36
300.0978699	0.11
306.3765869	0.34
310.2098083	0.30
311.2945557	0.36
312.4088745	0.05
315.2412720	1.46
316.2233276	0.31
321.4246216	0.26
323.0892334	0.30
324.3598938	0.10
337.0846558	0.69
338.1715698	0.54
340.0641479	0.26
341.4423828	0.38
342.2359924	1.03
346.8786621	0.04
348.2214355	0.13
354.3777161	0.07
355.6425476	0.10
363.3722229	0.07
364.2225342	0.03
365.2940369	0.76
366.2434387	0.33
367.1533508	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	381.0786
Annotation	Lactulose
Peak:m/z	Relative Intensity
127.0305939	1.79
143.0693054	1.16
159.2433624	3.76
168.5630188	1.52
187.1555939	1.52
201.0135498	94.62
218.0566711	4.82
219.1175537	100.00
235.8901978	1.98
278.7228699	2.51
290.3694458	7.06
291.3508301	1.55
305.3619995	2.51
308.2334595	1.29
333.4739685	2.73
353.5826416	2.57
362.0676575	3.48
363.1154785	4.26
371.9681702	2.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	296.8821
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9536133	100.00
131.0857849	0.12
133.8171387	0.07
211.2340088	0.50
212.7964783	53.63
266.9090271	0.11
268.9053955	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	666.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
186.8319244	0.01
190.2231140	0.05
192.2210388	0.14
193.0373840	0.06
200.0427094	0.02
202.0919952	0.18
203.1921234	0.11
205.0517883	0.15
211.4568634	0.05
216.9769440	0.01
218.2861481	0.34
220.1913452	5.39
221.2978058	0.68
231.2911224	0.11
236.2837372	0.22
238.1953735	7.07
239.2496033	1.03
248.9796295	0.03
256.2405396	100.00
257.2439575	13.08
269.4844971	0.04
280.3745728	0.03
283.0942078	0.01
294.4010925	0.05
298.3736877	0.04
309.5204468	0.03
313.5987549	0.02
324.4085083	0.06
326.1568298	0.03
331.1963196	0.08
342.2758179	0.16
400.3703003	0.80
401.4320679	0.11
413.4054565	0.07
418.3967285	0.12
442.5012817	0.21
443.3529663	0.02
460.3731689	1.66
461.3700562	0.46
480.9357910	0.02
486.2378540	0.04
502.1208496	0.05
504.3604126	1.25
505.4122925	0.32
521.7955933	0.03
533.2894897	0.07
546.1994019	0.03
547.1567993	0.07
560.5905151	0.03
580.6552124	0.65
581.4765625	0.09
604.5468140	0.71
605.6405640	0.27
622.4508667	29.60
623.4739380	8.32
630.4619751	0.02
631.5007324	0.09
648.6672974	0.64
649.6161499	0.19
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
92.99972534	0.26
100.9217072	0.20
111.2548065	0.40
119.3481369	0.78
140.8304749	0.53
167.117218	0.23
170.0265961	6.93
171.074585	1.37
179.0966492	0.17
183.0095367	100.00
183.980423	17.33
184.9492493	0.93
197.0183411	35.01
198.0669556	8.01
199.336853	0.52
201.0864258	0.45
209.3778076	1.08
211.0466919	3.48
211.9048767	3.10
213.1801453	0.32
217.2084351	0.29
225.2169495	3.43
226.0742798	4.32
231.0068359	0.24
237.4240723	0.29
239.1567993	8.64
240.1476135	3.54
241.1879272	0.27
243.0240784	0.85
245.4041138	0.84
247.3608704	10.10
248.1124573	0.36
249.2275696	4.64
249.8686829	0.58
253.0114136	2.62
253.7973022	0.40
255.3914795	0.42
266.1516724	1.12
267.2382202	5.56
268.2049561	0.84
269.2942505	0.78
270.0899048	0.46
273.2240295	0.67
275.1424561	1.32
277.3838501	0.54
283.2316895	1.25
293.2458191	15.85
294.1663208	0.34
295.0684204	1.05
311.3192444	15.89
312.2941589	0.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	485.2
Annotation	Patrinoside
Peak:m/z	Relative Intensity
173.0285645	0.13
185.1621094	0.64
194.8622131	0.15
216.1828918	0.10
225.4407196	0.20
229.0989990	2.12
233.0649109	0.21
242.3540955	0.05
246.1176910	0.10
255.2902222	0.09
260.9775085	0.36
269.1242676	0.16
275.1047668	0.20
281.2594910	0.14
289.2564087	0.06
291.4575806	0.59
295.3999023	0.19
297.1043091	0.10
299.2435608	0.41
307.0171509	0.14
315.2765808	0.32
317.1557617	100.00
318.1494751	0.91
319.5151367	0.28
321.4814758	0.18
325.2440186	0.24
335.2081604	0.46
344.4630127	0.07
349.5079651	0.20
353.2697754	0.38
358.7501221	0.26
372.9053345	0.28
373.5559082	0.17
385.2167664	0.07
394.3143616	0.11
396.3703918	0.05
397.0718994	0.08
401.0683899	0.89
403.7322693	0.20
406.6094360	0.15
408.1149902	0.12
410.6353149	0.07
416.2657776	0.17
422.5817566	0.10
424.5606079	0.15
426.9192200	0.08
427.7678223	0.09
439.1496277	0.08
441.4892273	0.34
445.1729431	0.44
449.0692139	0.17
452.8514709	0.08
466.5160217	0.50
467.3150330	2.40
468.1111145	0.11
475.3932190	0.37
485.4295349	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	330.0996
Annotation	8-Hydroxyamoxapine
Peak:m/z	Relative Intensity
105.9673615	0.10
112.7655869	0.05
114.7149048	0.03
115.8835297	0.08
117.0393829	0.09
124.9474564	0.15
127.0840607	0.04
130.0882263	0.06
130.9636688	0.12
132.9100494	0.16
134.0264893	0.69
135.0181274	0.21
140.9703979	0.05
144.8286133	0.06
146.8782654	0.05
150.9638824	0.19
151.8794556	0.11
154.1159668	0.06
155.0441895	0.09
155.9024353	0.05
163.1674042	0.09
166.5104218	0.17
167.9584198	100.00
174.9665985	0.10
176.0782166	0.18
182.1948547	0.12
187.2893066	0.10
192.3153381	0.14
195.2546997	0.08
197.2306824	0.15
208.0371246	0.10
210.1737976	0.31
215.3488159	0.08
217.2086487	0.26
218.1164246	0.49
223.1889343	0.09
226.4773865	0.09
228.2176514	0.06
236.3938293	0.20
237.1807556	0.15
243.1231384	0.10
248.6390076	0.06
249.3213501	0.03
251.1747437	0.05
253.2047119	0.07
254.1746826	0.20
255.2327576	0.28
256.1735229	0.10
259.1180420	0.16
260.1831055	0.08
260.8049316	0.06
269.9208984	0.12
277.2299805	0.12
279.1153564	0.19
282.4311829	0.03
283.3403931	0.64
284.5061951	0.17
287.2395020	0.09
288.8988647	0.11
291.2896729	0.07
293.1575317	0.19
293.8075562	0.03
301.2356567	0.34
302.3491516	0.04
306.8936768	0.06
311.1724243	0.74
312.1464233	0.89
313.2371521	0.10
320.2506409	0.28
329.4281311	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	654.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
209.1914368	0.15
217.1959076	0.34
249.2096710	0.33
251.1839294	0.08
256.2806396	0.15
256.9405212	0.09
265.2713623	0.17
267.2291260	0.08
275.0635986	0.19
308.2529907	0.08
313.3966675	0.28
315.1461792	0.10
324.2435303	0.88
330.3464355	0.38
338.3276672	0.11
359.4062500	0.05
360.1006470	0.19
361.0780640	0.13
372.0068359	0.09
377.3868408	1.07
378.4606934	0.36
381.3659668	0.30
395.2252808	92.89
395.8462524	0.51
405.0458984	0.42
422.2319336	0.21
426.4497681	0.08
431.5150146	0.04
438.9563599	0.14
440.7458496	0.33
444.3979492	1.72
445.5734863	0.75
448.4925537	0.22
449.3739624	1.31
453.2188110	0.22
455.4861450	0.16
462.5618896	0.19
472.4959717	0.13
482.9160767	0.19
489.3626099	0.36
491.4801025	0.11
493.3601685	0.07
502.5386353	0.20
506.3990479	12.55
507.3961792	4.73
512.5775757	0.11
524.2871704	100.00
525.4008789	6.99
530.2327271	0.15
531.2107544	0.20
543.6331177	0.14
545.4160156	0.30
558.4440918	0.09
563.9216919	0.42
564.7890015	0.25
565.5070190	0.09
568.0643921	0.05
570.2927856	0.19
576.1289673	0.09
577.4907227	0.09
579.3989868	3.27
591.4935913	0.14
599.4279175	0.14
600.2431030	0.10
607.6441040	0.33
608.3254395	0.11
618.4075317	0.58
632.8567505	0.32
635.3040161	0.33
636.5075073	15.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	416.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
120.0492096	0.61
147.9866791	0.05
149.3068237	0.04
150.9933472	0.39
153.0039825	0.04
176.0163574	24.52
191.3562622	0.06
208.0125732	0.06
211.3276825	0.05
217.1701965	0.03
229.4776001	0.06
235.1063232	0.09
236.2802124	0.18
249.1080627	0.06
251.1975098	0.14
254.2903137	0.37
259.5346375	0.05
260.1518250	0.10
269.0837402	0.13
273.1419373	0.14
274.1133118	0.13
286.0241089	0.10
294.6716919	0.03
295.4729004	0.13
296.1462097	0.12
300.3050842	0.05
313.1158447	0.59
314.6160583	0.04
317.5716858	0.21
318.5686340	0.08
326.1887817	0.41
328.1030884	0.07
329.3296509	0.21
338.2687683	100.00
341.3505249	0.16
343.3213501	0.11
344.5106812	0.28
352.3012695	0.09
356.3977966	0.14
362.5934143	0.31
369.3428040	0.50
370.3364868	3.24
371.4321594	0.24
372.4155884	0.14
373.1676331	0.06
378.2081299	0.11
379.6656799	0.11
380.3651428	0.09
382.2722473	35.98
395.2010803	0.05
397.2051392	0.26
398.1852112	0.61
401.1170349	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	429.109
Annotation	N-Ethylmaleimide-S-glutathione
Peak:m/z	Relative Intensity
130.9919586	0.09
131.8431702	0.07
135.1254883	0.05
158.3834839	0.09
159.1270447	0.04
168.9216766	0.05
175.0832825	0.04
176.0033417	0.08
183.8030090	0.04
185.2257080	0.03
186.0977478	0.22
193.8097229	0.08
200.1145935	0.57
202.0560608	2.35
203.0839691	1.84
204.0888062	0.24
217.9941101	0.04
225.0841675	0.05
226.0452881	0.10
228.1876526	0.02
229.1856384	0.10
242.0983582	0.28
244.0334778	21.16
245.1698303	0.26
247.9849243	0.03
254.1658936	0.04
255.0795288	0.22
261.3059998	0.03
262.2969360	0.03
265.9995117	0.19
269.1744995	0.17
270.5160828	0.05
271.2693176	0.86
272.2452698	0.16
273.1493225	0.05
286.2093201	0.47
287.3844604	0.12
297.3117981	0.94
298.3390198	1.61
299.2524109	0.04
304.2977295	0.37
306.2186584	0.03
312.0670776	0.10
313.2994080	0.92
314.4205933	0.83
315.3118896	1.17
316.3278198	0.05
323.1986389	1.30
325.2384338	0.09
331.2840576	0.21
339.2968445	0.49
340.0143433	0.23
341.2482300	11.36
342.2336121	0.84
343.1920471	0.30
357.3717041	0.31
359.2052612	2.13
360.4281006	0.25
365.4559326	0.14
367.2471008	2.55
368.2997131	0.28
369.2129517	0.03
383.2617798	5.20
385.2309265	100.00
386.3287048	2.54
387.1366272	0.12
393.3580627	0.07
401.2630920	0.14
402.0254517	0.03
402.8976746	0.07
408.9761047	0.03
410.2460327	0.99
411.2445374	25.12
412.3285522	0.79
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	441.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
158.8035278	0.11
159.4532318	0.04
171.8365784	0.12
173.0272217	0.09
215.1443481	0.04
232.1841431	0.07
232.9790955	0.03
243.1695557	0.23
250.3768311	0.03
260.8060303	0.06
263.3737793	0.09
274.0779419	0.97
275.1222534	0.74
279.2510376	0.25
305.2895203	0.04
309.2991333	0.04
325.4847107	0.07
334.8362427	0.59
335.5147400	0.02
341.2451782	0.20
365.1431885	0.03
379.0609131	0.09
393.1708069	0.11
395.0740051	100.00
396.1429443	3.29
397.2334290	2.47
423.5289307	0.08
427.2787476	0.05
440.9335327	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	293.21
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
88.84876251	0.39
96.98717499	0.50
107.1395111	0.43
110.1286697	0.25
113.1203461	1.24
117.0871735	0.21
120.9709778	0.39
122.9239578	0.26
125.1661682	0.84
133.3672333	0.88
135.0498657	0.54
136.8432159	2.68
141.0068665	1.84
145.0448303	0.88
147.0916443	0.46
149.1122589	1.65
153.1621399	0.96
155.2855225	0.42
158.1595917	0.38
160.9750366	0.29
163.1062317	0.43
164.9215088	0.25
166.234787	0.49
173.2782288	0.69
175.178894	0.37
178.0956116	0.21
181.2103271	0.58
187.0314941	0.78
189.1005249	0.61
193.2191162	0.74
195.2345581	0.31
197.4251099	1.18
201.5397034	0.74
203.0891418	2.64
204.0483093	0.40
205.1187439	0.16
207.0727234	0.38
209.3996277	0.48
211.1411438	1.16
213.4136353	1.01
215.104248	1.45
219.2130737	5.98
222.2333984	0.38
223.1590271	0.59
225.1051331	0.54
229.0095215	1.23
231.3148193	0.40
233.0559082	3.96
235.1262512	1.65
237.027832	2.25
247.2059937	0.73
248.0456238	0.32
249.0588379	0.61
251.4815063	6.62
257.3252258	5.93
258.118927	0.47
265.3821411	2.17
270.2344666	1.15
272.9006958	1.99
275.1977539	100.00
275.9907227	2.49
284.3023376	0.67
289.0605469	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	500.9196
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9985504	2.53
160.0646210	0.28
199.1223297	0.27
200.0317383	0.13
217.2299194	0.08
229.1943512	0.22
273.0114746	50.60
274.0830994	16.32
341.0268555	0.13
371.5086975	0.03
385.2077026	0.10
387.0420837	100.00
388.0303345	43.95
417.1548767	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	281.06
Annotation	Unknow
Peak:m/z	Relative Intensity
79.8497314	0.31
80.9951706	0.08
86.0597000	0.14
96.7057037	0.12
101.1450577	0.12
106.9045181	1.97
110.9246902	0.09
118.9664688	0.07
122.7947845	0.04
123.9065704	100.00
125.0563202	0.25
137.0358887	0.10
139.2935333	0.11
149.7046814	0.07
165.2947845	0.05
171.1118774	0.04
173.0083923	0.29
176.8683167	0.09
181.0374146	0.48
184.2884216	0.15
190.0941925	0.07
190.8946533	0.07
193.2974243	0.11
194.0201416	0.10
203.9063110	0.13
209.0817566	0.13
217.1278687	2.63
219.7391052	0.60
221.1916199	0.07
235.0799255	2.07
236.5377197	0.26
237.2290649	1.35
239.1154785	0.17
244.5589600	0.05
250.0012207	0.22
250.9673462	0.07
262.0080872	0.07
263.1437378	1.45
263.8495178	0.10
264.8785706	0.07
281.1482849	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	205.0966
Annotation	(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
Peak:m/z	Relative Intensity
73.09315491	0.01
82.93054199	0.00
87.0994873	0.03
96.09820557	0.01
96.96162415	0.05
98.82546997	0.02
107.9282227	0.24
109.173111	0.01
109.9117126	0.01
113.7492676	0.01
114.9959564	0.09
117.9898224	0.08
120.9701691	0.01
125.2078857	0.01
126.343338	0.02
127.099762	0.15
128.2775574	0.03
132.083313	0.03
132.7329712	0.01
134.0528107	0.03
135.1016541	0.11
137.1517792	0.05
138.8752899	0.16
144.1109467	0.12
145.0779419	0.27
145.9304962	0.03
149.1649628	0.04
150.0260468	0.01
151.0326691	0.02
157.1004944	0.08
159.094574	0.18
161.1267548	0.03
161.7915649	0.02
162.9664307	0.08
163.9165192	0.13
166.0262146	0.02
167.9484406	0.01
169.0388184	0.36
174.52565	0.02
177.1071472	0.13
182.1266174	0.01
184.488205	0.05
186.103775	0.01
188.0613098	100.00
188.8893433	0.04
193.3674011	0.07
195.936264	0.04
196.667038	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	697.3639
Annotation	Cuscutic acid A2
Peak:m/z	Relative Intensity
259.1342163	0.07
282.3431396	0.14
305.1510010	0.12
320.3319702	0.18
325.3883667	0.11
330.2125854	0.13
341.2608643	0.22
358.2919922	0.06
365.3807373	0.05
383.0751953	0.09
397.2730713	2.63
398.4011841	0.09
408.4091187	0.12
409.5322266	0.11
415.3930054	0.70
421.4801025	0.06
444.3884888	0.20
445.9484253	0.45
461.3897705	0.18
513.1191406	0.10
521.4835815	0.07
537.4434204	0.18
583.0676880	0.13
599.3947754	0.36
613.5877075	0.18
651.3475952	100.00
652.3501587	7.93
662.5800171	0.08
670.0534058	0.07
679.3744507	0.16
680.3966675	0.41
692.0744019	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	361.1501
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
112.9940033	0.47
114.1712799	0.18
125.1339951	0.14
130.8947754	0.11
137.2304535	0.40
139.0298767	0.33
155.1370239	7.64
160.0155334	0.08
161.9255371	0.21
168.9694519	0.32
170.9553528	0.21
176.8680115	0.28
181.192215	0.66
183.3318176	0.21
187.0310059	0.12
199.1065826	100.00
201.2394104	1.25
209.1246338	0.65
210.8845215	0.28
213.3852234	0.16
219.3165588	0.23
229.3863525	0.16
231.0107422	0.86
232.2610779	0.32
234.8245239	0.34
237.2264099	0.13
241.2278748	2.12
243.1943054	0.73
245.5250549	0.24
247.2106323	0.53
253.1560059	0.64
254.0668335	0.14
255.2129211	0.80
261.0915833	0.23
264.953125	0.30
269.2462769	0.29
271.3013611	0.63
273.2374573	0.35
277.2414246	0.19
278.2761841	0.24
283.3866272	0.50
289.2568359	0.24
290.0782166	0.13
297.3881836	0.22
299.0979004	0.34
300.3390808	0.35
301.307251	1.15
307.1496277	0.21
314.7775879	1.88
315.4157104	1.89
317.3247681	1.65
317.9459229	0.27
322.9118042	0.23
325.221344	2.31
331.7387695	0.78
339.1965027	0.34
340.9613037	0.29
342.5940857	1.25
343.2917175	7.50
344.1873779	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1088
Annotation	Lactulose
Peak:m/z	Relative Intensity
98.9632568	0.20
100.9039001	7.04
102.8746643	0.65
112.9706573	19.21
115.0783386	0.72
116.9799652	0.25
118.9880066	12.20
119.9490204	0.21
125.0457611	2.90
130.9715881	8.30
133.1049194	0.31
143.0209351	22.81
149.0325623	62.13
159.7065125	0.37
160.9464722	16.78
178.9687500	100.00
201.1161346	0.27
220.5318298	0.19
221.2033691	0.44
257.1885376	0.11
266.2459106	0.16
268.5785217	0.34
280.2028809	0.12
281.2384033	1.35
283.0227356	0.17
295.3073425	0.15
313.4032593	0.42
322.4302979	1.37
323.0403442	1.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	472.9251
Annotation	Unknow
Peak:m/z	Relative Intensity
245.1312561	0.04
273.0361328	0.28
358.1532288	0.46
359.2366333	0.57
401.2082214	0.06
417.2485657	0.04
427.0910645	100.00
427.9247131	0.27
429.0666809	0.15
442.9066467	0.18
445.2400513	0.05
454.9778442	0.15
462.8733215	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	487.19
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
173.0435486	0.10
205.2233887	0.24
206.1663666	0.08
237.1112976	0.12
239.1567993	0.18
242.0283661	0.09
243.1861877	0.10
245.3360596	0.32
253.2203064	0.18
256.2384338	0.56
274.2210999	0.82
290.0304871	0.20
300.0026855	0.07
308.4774475	0.17
315.0711060	0.09
316.1583252	0.37
324.4537964	0.11
325.2596741	0.50
327.3835144	0.36
336.2292175	0.13
337.8992310	0.28
341.1485596	0.52
354.2080688	0.11
355.4373169	0.40
356.2191772	0.11
371.2968140	9.84
372.3192749	0.51
387.6134949	0.09
388.4931946	0.41
389.1391907	2.03
397.3114929	2.59
398.4347229	0.08
401.2779541	0.61
413.1131287	0.10
415.3380432	0.16
416.7928162	0.23
424.4376526	0.07
425.3166809	0.61
429.6762390	0.49
440.2123108	0.07
442.3747253	0.24
443.5239868	1.38
451.2836609	1.88
452.7499695	0.17
464.9173279	0.58
468.5870667	8.24
469.1927795	100.00
469.8339539	0.15
478.3901672	0.55
485.5323792	0.66
486.7147522	0.81
487.3619690	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	175.12
Annotation	5-Methyltryptamine
Peak:m/z	Relative Intensity
59.87541199	42.62
69.95398712	4.86
71.86679077	1.93
84.14239502	0.15
87.08883667	0.14
87.78086853	0.11
97.02191162	0.62
97.81860352	0.59
111.9364624	5.78
112.9443817	0.95
114.0990906	3.50
114.9729156	1.96
116.0161896	49.34
129.9824829	36.81
131.139267	0.19
133.0377808	1.12
140.0314941	3.65
140.9514771	0.10
146.7736969	0.14
157.0164795	81.36
158.0956573	100.00
166.1849976	0.37
175.1621552	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	347.09
Annotation	Unknow
Peak:m/z	Relative Intensity
108.0372772	0.27
109.1228485	0.11
110.0614548	0.21
117.8541412	0.34
128.7732239	0.09
130.9428711	0.07
136.0373535	0.70
137.0812378	2.12
153.9766235	100.00
159.2982483	0.12
173.1369781	2.25
176.0530396	0.06
210.0702362	1.14
211.3204651	0.11
214.2386169	0.04
249.1702576	0.04
257.0967407	0.10
263.3281250	0.17
279.0975952	0.06
285.2858887	0.11
287.0862732	0.15
290.9768372	0.03
300.3761292	0.02
301.3003845	0.21
303.0182495	0.11
304.6263733	0.26
319.3392029	0.10
328.9131775	0.35
329.7619629	0.03
330.4004517	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	413.14
Annotation	N6-Carbamoyl-L-threonyladenosine
Peak:m/z	Relative Intensity
119.1404800	0.12
120.0595703	0.13
129.0162506	0.07
129.9873657	0.26
131.1846771	0.25
135.9508820	0.32
143.0403137	0.17
145.1349487	0.45
148.0050507	0.07
149.0678101	0.13
151.2032013	0.06
157.0340424	0.30
159.2427368	0.06
162.0189667	0.72
163.2224731	0.10
163.9744873	0.16
165.3015747	0.16
170.9783325	0.05
173.0917664	0.57
175.1110992	0.89
176.1626892	0.07
177.2211609	0.08
177.9419250	0.04
180.1806946	0.33
185.2484436	0.13
186.0764618	0.12
187.2149048	0.05
187.8880005	0.04
189.1835022	0.13
192.4029999	0.07
195.0688171	0.07
199.1967773	0.21
199.8927612	0.21
201.3602295	0.11
202.1642151	0.82
203.0921326	0.10
204.1914978	0.12
205.0548401	0.84
206.0762787	0.12
210.4030151	0.10
213.0862427	0.10
215.2428436	0.31
219.2402344	0.92
220.1830292	9.08
221.2596741	1.47
222.3275452	0.34
223.1856537	0.16
225.1792755	0.18
226.0035553	0.12
227.2538452	0.29
229.6647034	0.07
237.3988647	3.20
238.2624512	12.90
239.3426208	1.75
243.3255005	0.16
244.2608032	0.04
245.1948242	0.06
246.2991333	0.05
247.4624023	0.05
251.2393799	0.13
256.2034607	17.41
257.3510437	2.72
259.1517944	0.11
262.3047485	0.08
265.3685913	0.27
266.1211548	0.15
268.1455383	4.64
269.2344971	0.09
271.1661072	0.24
279.0485535	0.50
281.2396240	100.00
286.5157471	0.07
288.4010010	0.15
289.2055054	0.14
294.1091919	0.95
295.6861267	0.53
296.4401245	0.04
298.3792114	0.41
299.9571533	0.12
301.2836304	0.12
303.3898315	0.13
305.2318726	0.16
307.3723450	0.52
308.2991333	0.19
309.2775269	0.06
311.3045349	0.15
314.4160156	0.05
315.1920166	0.37
316.4254761	1.20
317.2994385	0.35
319.1917725	0.13
323.5915527	0.26
324.9698792	0.06
332.2020264	0.33
334.4293213	7.24
335.4035950	1.92
336.4033203	0.44
337.2026672	0.43
339.7054443	0.08
348.3668823	0.34
350.4645996	0.47
352.3565674	5.45
353.4552307	0.83
354.3818665	0.22
355.3031921	0.18
357.2682800	0.07
358.4395447	0.14
361.7800598	0.10
364.2698975	0.14
366.7383423	1.26
367.5118713	0.03
368.1558838	0.23
368.7837830	0.12
374.7307434	0.19
376.3876648	2.14
377.2342529	1.14
382.1824036	0.16
383.5682678	0.08
385.3572693	0.14
389.3494568	0.44
392.6882629	0.07
394.3874207	53.08
395.4111938	16.38
403.3125305	0.13
404.7732239	0.12
413.3966370	0.29
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
87.20518494	0.27
90.98200226	0.16
92.87138367	0.61
94.99951172	1.16
96.95315552	0.30
103.0138397	1.10
109.0046997	0.57
111.3417969	0.16
119.1406479	0.29
120.935524	0.50
123.073288	0.84
125.0174789	0.82
126.1799622	0.22
126.9097748	0.67
131.128067	0.24
133.1339722	0.48
133.9746094	0.28
135.1471558	1.40
136.8795013	0.36
139.0695801	2.01
141.3721161	1.24
143.0761414	0.78
146.7319336	0.43
147.3470459	0.16
148.8487244	0.62
150.9859619	1.33
153.1076965	0.88
154.868454	0.22
157.138092	0.14
159.2870483	0.25
161.3437805	0.84
162.1384125	0.13
163.1500244	0.36
165.057312	1.99
167.1970215	1.07
169.170105	0.67
171.1618958	0.86
173.196167	0.51
175.2259521	0.39
177.122406	1.13
179.182663	0.92
181.0497742	0.94
182.7145996	1.18
183.3526001	0.72
185.1562195	0.64
186.6094666	0.11
187.2285919	0.43
188.9601746	1.21
189.9415283	0.27
191.4612274	0.52
193.2333679	1.19
195.2199097	0.59
196.4324036	1.48
197.1684265	2.92
199.1036072	0.13
200.2868042	0.57
200.9341125	0.33
203.2014465	1.78
205.224884	0.14
207.252655	1.47
209.1319275	0.61
211.256073	1.55
213.1236267	0.11
215.1140442	1.71
217.4309692	0.24
219.3867188	0.72
221.2435913	1.98
223.1639709	0.65
225.2478638	0.30
227.2696228	0.94
229.1808167	0.73
231.2707214	0.62
233.2306519	0.95
233.9521179	0.55
235.3160095	0.61
237.3447571	3.59
239.0415344	10.72
239.6755066	0.15
241.3947449	0.82
243.2667236	2.73
249.2481689	0.74
251.2748413	2.86
252.1192017	0.54
252.9491882	2.46
253.605896	0.31
254.2577515	2.80
255.0871887	1.15
256.0988159	0.11
257.1860046	1.44
261.2971802	8.64
267.0950317	0.59
269.1390686	1.54
274.1664124	0.14
277.138855	0.28
279.2259521	100.00
279.8349304	0.18
280.9631958	1.41
282.9683228	0.08
288.1748352	3.25
288.7849426	0.52
307.2123413	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	616.9
Annotation	Unknow
Peak:m/z	Relative Intensity
198.9771423	0.09
217.2795105	0.04
229.9687195	0.10
273.0903931	10.41
274.0563354	3.55
275.1028137	2.82
373.3139648	0.07
387.0529175	15.53
388.0927124	13.89
389.1074829	11.11
403.0225220	0.07
404.9797363	0.13
475.1126099	0.02
499.6876221	0.32
501.0642700	42.63
502.0100098	85.73
502.9705200	100.00
503.7716064	0.49
509.8790894	0.02
527.7666016	0.03
533.1822510	0.02
540.3610229	0.03
541.0545654	0.05
542.1734009	0.08
543.3291626	0.07
560.5046997	0.05
569.8058472	0.16
570.7420044	0.08
571.4042358	0.16
573.0513306	0.26
584.2540894	0.11
587.9469604	0.08
589.0330811	0.08
593.5634155	0.11
597.8475952	0.07
598.9655762	0.14
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
80.6109314	0.32
91.05249786	0.13
91.9130249	0.32
94.91537476	0.86
100.9112854	0.21
104.902916	0.67
106.9022522	0.88
108.7696991	0.13
111.132225	0.39
123.0830383	1.97
124.9472656	0.65
128.9930878	1.51
130.6601562	0.16
133.0007782	0.65
134.9511414	0.56
136.9277344	0.55
138.1231537	0.26
138.9407196	2.25
140.7250671	0.71
142.0206299	0.09
143.036438	0.42
147.024353	0.82
148.7713318	0.73
151.0221863	0.22
153.1450195	0.84
154.9663086	1.31
157.1255951	0.46
159.0550537	0.14
161.1630096	0.85
162.9811096	0.31
164.994751	0.44
166.177536	0.30
167.0712891	0.44
169.450882	0.13
171.1200256	0.41
172.7276306	0.61
174.1038666	0.64
177.1026611	0.27
179.015213	0.13
181.0974426	2.14
183.1012573	1.21
187.2770386	0.27
191.2153931	0.54
192.2057037	0.57
193.2883301	0.58
195.2631836	0.76
197.1047363	0.97
198.2499695	0.41
199.387146	0.57
201.0984192	0.46
203.164032	0.26
205.1550293	0.29
207.1639709	1.39
209.0183716	0.14
211.0715332	4.70
211.8458557	0.31
213.0582275	1.90
214.6578064	0.56
215.323761	0.66
217.3396301	0.35
219.1412048	0.38
221.1441345	1.82
223.1672668	0.61
224.2990723	0.20
225.1759338	2.66
226.4202271	0.10
227.2213745	0.12
229.1565552	1.22
231.6819153	0.27
233.3856506	0.79
235.1530151	0.83
237.1804199	0.79
238.3846741	0.55
239.1684265	0.13
240.5377808	1.10
241.3440247	0.12
243.3683472	0.61
247.2849731	1.54
249.1263428	0.15
250.9649658	1.20
253.178009	4.78
255.7825317	0.77
257.270752	0.90
261.1296082	0.19
264.4766541	0.58
265.1488647	2.05
266.3273926	0.34
267.3094482	1.34
268.4501648	1.55
269.3728638	0.87
271.4614563	0.43
273.1231995	0.68
275.3156128	9.63
278.6292114	0.40
281.6070557	0.32
282.573822	1.31
283.3120728	3.98
285.2015686	0.25
289.7732849	0.68
291.3990479	0.10
293.2084961	100.00
294.1936646	0.55
302.0927124	0.95
302.7763062	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	454.292
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
145.4888611	0.37
161.0839386	0.26
177.0494080	0.57
181.1230774	0.66
185.3562164	0.16
197.9909515	0.27
205.1787720	0.47
212.3728790	0.27
214.4371796	0.73
216.3647766	0.47
217.4600525	0.34
227.4098358	0.39
233.0458984	0.18
247.6275330	0.49
277.4578857	0.21
297.4935303	0.55
301.5404053	0.41
311.3718567	0.10
313.3869324	69.77
314.4147644	0.22
332.6878662	0.58
343.4392700	0.27
352.3565979	0.47
355.5022583	0.53
363.7687378	0.25
368.3865967	0.66
393.1481628	3.68
395.1616516	0.14
405.5715332	0.31
408.3378296	1.97
419.4364014	0.17
423.3862610	0.52
425.8229065	1.01
426.5249329	0.41
436.2356567	100.00
436.9743958	0.31
453.5232849	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	285.22
Annotation	Vitexifolin C
Peak:m/z	Relative Intensity
76.81943512	0.22
81.02064514	0.25
83.02165222	0.13
90.79910278	0.13
92.77790833	0.11
94.98552704	1.20
96.38181305	0.63
97.0146637	0.89
97.78292847	0.39
98.83370209	0.25
103.1056747	0.25
105.0835571	0.26
109.0110397	1.07
109.9593506	0.24
110.9131927	3.02
114.8532562	0.44
118.9139862	0.97
120.8850632	0.34
122.9498825	3.49
125.1648102	0.77
127.0774841	0.28
129.0170746	4.53
130.8171997	0.69
132.8845215	0.86
135.1959534	0.54
135.9319305	0.10
136.9219055	0.87
140.8917236	1.25
143.0759583	5.61
144.2182922	0.22
145.1297455	0.44
147.0263062	2.75
149.1272278	0.73
151.1377258	1.04
153.1106262	0.13
153.8358917	0.17
155.1272278	2.80
156.192627	0.11
157.1687317	2.00
161.2524261	0.90
161.893219	0.34
163.1755981	0.45
164.2172852	0.68
165.1151428	1.36
165.939209	0.25
167.0513916	0.56
169.1280212	4.01
170.1396332	0.15
171.0599976	6.49
172.973053	1.12
173.8925476	0.13
175.0226288	0.40
177.2729797	0.56
179.2200012	0.57
181.1048737	0.16
182.9725952	2.73
184.9945068	4.21
186.8955994	0.46
189.039093	1.94
191.0722656	1.00
197.1350708	3.22
199.0758667	0.31
201.0767212	0.48
203.1235352	0.23
205.3789673	0.58
207.1729736	7.18
211.0406494	2.23
213.1932373	0.30
215.1858826	0.63
222.989502	1.26
224.5401001	0.48
225.1474609	4.14
227.2176208	0.71
229.1339417	0.47
232.1588135	0.30
237.2748413	0.26
239.1263123	2.76
241.4064026	0.45
243.2624512	3.38
244.0961914	0.05
248.6824036	0.85
249.3236084	2.05
253.221344	0.18
254.1109009	0.12
255.394165	0.25
257.1338806	0.63
258.2354431	0.22
259.0300598	0.14
263.1068726	0.17
265.5212402	0.16
267.218811	100.00
268.223053	0.21
269.3051147	0.15
276.0579834	0.72
276.8083801	0.38
283.8266907	0.80
285.1355591	1.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	284.1485
Annotation	Codonopsinol
Peak:m/z	Relative Intensity
80.9490128	0.29
83.0547333	0.08
83.9181442	0.04
84.7713242	0.02
87.9536896	3.05
88.8878784	0.15
89.9041977	0.09
90.9696045	0.07
92.9440308	0.10
94.8607407	0.51
95.9772186	0.04
97.4438629	0.02
99.0976257	0.09
100.9727173	0.03
105.0484467	0.06
107.1278992	0.37
109.0054245	0.97
115.9478683	5.47
120.9074860	0.07
123.0977554	25.20
124.1984558	0.09
124.9863434	0.13
128.1509247	0.02
132.0511475	0.06
133.9102173	100.00
135.1618042	0.08
135.9934998	0.03
137.0773468	0.02
138.9215393	0.03
140.0260162	0.02
143.1657104	0.14
146.1786804	0.03
148.1438904	0.04
149.3081665	0.02
151.0097961	50.49
152.0812683	0.11
152.8823547	0.18
153.6351318	0.05
155.1109619	0.09
158.2926941	0.07
160.8784943	0.04
163.1315613	0.24
165.1627808	0.03
168.1033020	0.03
169.1305695	0.24
170.0700684	0.04
171.8744965	0.03
173.2660217	0.05
174.2169800	0.23
175.2015839	0.10
176.9576721	0.24
177.9887390	0.11
179.2416534	0.08
181.0810242	0.33
182.0836792	0.15
183.2900391	0.07
184.0739441	0.07
187.1865540	0.07
188.3585815	0.14
189.1375275	0.11
191.0052185	0.03
194.0703125	0.24
195.0388794	0.08
197.1543884	0.05
198.0327759	0.05
199.2921753	0.17
205.0430298	0.03
210.0584412	0.08
213.1934814	0.03
214.2722168	0.07
216.8904724	0.07
219.6107178	0.26
220.3014526	0.19
221.2144470	0.03
224.1402893	0.15
225.0892334	0.12
227.1614990	0.33
229.3148193	0.03
230.1500244	0.04
232.9436035	0.05
235.0892334	0.05
236.0410461	0.06
237.2836914	0.07
238.3020630	0.47
239.2215271	0.34
240.1432495	0.17
241.0822144	0.25
243.0394287	0.32
247.2127686	0.34
248.2660217	0.26
253.2977905	0.35
254.2162476	0.30
255.2013855	0.11
256.1774292	0.73
261.4180603	0.11
263.0609131	0.21
265.1987915	2.03
266.2116699	7.31
267.1488953	0.47
270.4353027	0.09
275.2703247	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	538.32
Annotation	PS(19:0/0:0)
Peak:m/z	Relative Intensity
202.0096436	0.09
203.9742737	0.19
217.0715332	0.10
235.3558350	0.17
253.3065491	1.66
254.2556763	0.43
255.2586975	0.82
259.1246948	0.15
271.2639771	0.05
273.1085205	0.11
282.1379395	0.12
302.3624573	0.07
322.4384155	0.17
323.1565552	0.04
324.3913574	0.10
344.2615356	0.05
370.2944336	0.11
370.9880981	0.04
379.0692749	0.08
391.5939331	0.15
407.4545288	0.14
413.3363037	0.08
433.3773193	0.04
434.2142334	0.08
436.0948486	0.31
440.2714233	0.04
442.3777466	0.06
443.3912964	0.24
446.3241577	0.19
462.4990234	0.07
466.3601685	0.04
478.3960571	100.00
479.3892822	0.43
482.2255859	0.35
484.2018433	0.39
489.3617554	0.64
490.6904297	1.23
491.3131714	4.41
492.2141724	1.55
499.8980713	0.30
502.0834351	1.37
509.7868042	0.10
516.1154785	0.05
520.3259888	0.37
521.5571289	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	188.07
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
89.8962402	0.01
93.7083740	0.01
100.7732697	0.02
118.0894623	0.14
127.9817810	0.05
128.8311615	0.04
142.0694122	0.89
144.0892029	10.63
145.9659271	100.00
146.9192505	0.03
160.0801392	0.51
170.0631256	2.95
170.7671661	0.02
172.9144440	0.04
188.0219421	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	377.09
Annotation	Lactulose
Peak:m/z	Relative Intensity
112.9775391	0.04
118.9345245	0.10
161.1826782	0.02
179.0086212	0.60
197.0637817	0.67
215.1276245	8.77
281.0068970	0.02
341.2098083	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2213
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
94.84483337	0.23
97.06449127	0.37
106.8786545	0.31
108.9345093	0.97
111.0807343	1.18
112.0782471	0.74
119.1768188	0.48
121.1566467	0.66
123.0402298	0.83
125.1898956	1.04
127.0541	0.75
128.9302216	1.16
133.0394287	1.15
134.9967651	0.63
136.8104858	0.39
139.1507263	0.36
140.8344727	0.66
142.9506836	0.79
145.0437622	0.61
146.9858398	0.55
148.8260193	0.48
150.1419525	0.46
151.01828	0.41
152.9915924	0.51
155.0201111	1.61
157.1268616	1.06
159.0492554	0.63
161.2520294	1.03
163.2745514	0.65
164.2071533	0.16
165.0501862	0.68
167.1325531	0.98
169.1326752	1.86
170.9091034	1.40
172.9932556	0.32
175.181366	0.15
177.153595	1.26
179.1985931	0.56
181.1411743	1.45
183.118927	0.38
184.8937073	0.35
186.1408234	0.47
188.2609863	0.61
191.1599884	0.87
193.2528687	1.38
195.0751343	2.01
197.0011597	1.00
199.2190857	1.08
201.0603333	0.68
203.1789856	0.20
205.0712585	1.09
207.4407349	0.32
209.1575928	1.98
210.3111572	0.60
211.2691956	4.33
213.1721191	0.57
215.135498	1.01
216.0582886	0.65
219.1524048	0.63
220.9354553	0.80
222.3840332	0.72
223.1665344	0.69
225.2157898	2.69
227.1282959	1.32
229.3183899	1.98
233.2825928	0.75
235.0992737	1.27
236.9338379	0.68
239.2485657	2.01
241.1850891	1.64
247.3581543	0.15
251.1546631	4.09
251.9026184	0.58
253.1245117	6.73
254.3215332	0.16
255.2913208	0.34
261.2658691	0.23
263.2281494	0.62
265.3144531	2.71
266.072998	0.15
267.3294067	2.20
268.3312378	0.60
269.2762756	3.34
270.1618652	0.27
271.0679321	0.61
273.1122437	0.41
275.307251	16.78
279.2277222	0.82
281.5005188	0.38
283.1665649	5.78
284.207489	0.37
289.2487488	0.60
293.2081299	100.00
295.3111877	0.72
297.0136108	0.43
302.6988831	1.23
311.1439514	1.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	193.0338
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
68.9026184	0.02
69.9031601	0.09
76.2074509	0.02
77.0317993	0.05
87.9072342	0.02
96.1150665	0.03
96.8932037	0.02
101.0965424	0.03
106.0863190	0.07
109.0313568	0.03
114.0339661	0.02
116.9522095	0.04
123.0256348	0.03
129.0921021	0.02
133.0495758	0.07
135.0453033	0.02
136.8477020	0.08
138.0313568	0.07
146.9217987	5.50
149.0469666	0.02
156.8943634	0.19
164.1525574	0.10
164.8754730	0.27
170.2195282	0.05
174.8934479	100.00
178.2984161	0.03
183.1148376	0.04
192.6309967	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	539.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
161.1331787	0.29
178.9994507	0.68
179.9364014	0.09
197.0913696	0.09
214.3416138	0.02
215.1463928	0.04
221.4070587	0.17
233.1050415	0.47
233.8807373	0.02
245.3791656	0.02
250.9144440	0.04
280.9751587	0.11
281.8359070	0.04
323.1938477	0.38
324.3305664	0.21
341.2219849	1.20
342.2101440	0.08
359.2824097	0.50
360.3923950	0.02
377.2810669	2.52
378.3365479	0.27
383.2870483	1.14
384.3635254	0.46
412.9995117	0.14
426.1534424	0.03
443.0907593	1.15
444.2257690	0.16
484.9124756	0.07
501.4394531	0.04
503.3474121	100.00
504.3082886	31.67
522.2808838	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	447.1502
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
155.9580994	0.09
161.0875092	0.04
270.2349854	0.04
301.4360962	0.06
306.1640015	0.12
327.6057739	0.07
333.5066528	0.05
357.0541077	0.04
358.1558228	0.05
360.0031738	0.23
387.2560425	0.09
401.2537537	100.00
402.2907715	32.62
405.4767761	0.07
411.6794739	0.15
412.3995972	0.06
429.5547485	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1017.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
305.2407532	0.05
360.2983704	0.02
371.4831238	0.03
420.4033813	0.02
460.2612305	0.01
461.4083557	0.04
483.4193115	0.02
486.0929871	0.01
492.3130493	0.01
502.3837280	0.06
513.5130615	0.05
518.2318115	0.01
538.8751831	0.05
539.5897217	0.23
540.5568848	0.02
543.2521973	0.04
544.5246582	0.02
555.6169434	0.02
557.1394043	0.11
557.8394775	0.06
563.6160889	0.04
571.3083496	0.09
572.3778076	0.01
581.3590088	0.15
583.4577637	0.45
584.2755127	0.10
589.3181763	0.15
597.4108887	0.04
599.4680176	0.22
600.6962891	0.06
601.3482666	0.03
602.4459229	0.06
607.2781982	0.02
613.2557983	0.07
615.4230347	0.34
616.4507446	0.02
617.5064697	0.56
618.5921021	0.23
620.7182007	0.03
623.1693115	0.11
625.4342651	0.41
626.5297852	0.05
631.4308472	0.22
632.2268677	0.04
633.5477295	0.10
634.3806152	0.04
643.3594360	1.66
644.4600830	0.23
647.8653564	0.01
649.3480835	0.16
657.4747314	0.14
658.3117676	0.08
661.0653687	0.14
661.6832886	0.04
663.2269287	0.04
665.8639526	0.01
673.8985596	0.02
675.4599609	0.40
693.4922485	0.03
695.4012451	0.07
696.5560913	0.02
719.3029175	0.02
720.4909058	0.06
724.6499634	0.04
742.6373291	0.03
743.4731445	0.06
761.7282104	0.02
772.1401367	0.05
772.7520752	0.02
777.4426270	0.01
784.7325439	0.10
786.5417480	0.05
788.5145264	0.05
795.5362549	0.02
803.3753662	0.02
806.6911621	0.03
816.5152588	0.05
817.5303955	0.13
821.4877930	0.01
822.2871094	0.02
823.2320557	0.01
828.5031738	0.74
829.4581299	0.18
837.4291992	0.06
845.8096924	0.05
847.6087646	0.04
855.6234131	0.02
856.5587158	0.01
860.4481201	1.06
861.5051270	0.15
865.4735107	0.10
866.5379639	0.01
881.5843506	0.17
884.7149658	0.03
897.5153809	0.10
899.5972900	0.03
903.0506592	0.02
905.2683105	0.05
907.5305176	0.14
908.5189209	0.10
913.4263916	0.47
914.6087646	0.14
923.5186768	0.06
925.5491943	13.21
926.5869141	2.03
931.4959717	0.03
937.2321777	0.02
939.6112061	0.28
941.5314941	1.09
942.5069580	0.13
949.6325684	0.04
955.4891357	0.20
957.4814453	31.54
958.6365967	5.62
967.5479736	10.57
968.5998535	1.54
973.4973145	0.03
974.6142578	0.08
981.3999023	0.16
982.8049316	0.02
985.5126953	100.00
986.5224609	14.15
987.2670898	0.05
997.9351807	0.02
999.4873047	19.31
1000.4799800	3.10
1001.1994630	0.02
1018.6599120	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	272.185
Annotation	Unknow
Peak:m/z	Relative Intensity
78.9191132	0.09
80.8369827	0.19
82.1782455	0.07
83.7565765	0.15
85.9272232	0.04
90.7874069	0.04
92.9828110	0.12
94.0241852	0.29
94.8331909	0.17
96.0222244	0.09
96.9616318	0.02
97.7710571	0.17
104.8419189	0.05
106.1540527	0.04
106.9666290	0.24
108.1783905	0.32
109.1646423	0.23
110.1116638	0.15
113.7955322	0.12
119.0267639	0.52
119.9419403	0.07
121.1375275	0.09
122.0916901	1.73
123.1141052	0.11
123.8761902	0.04
128.0010071	0.14
129.1225586	0.06
130.9250336	0.18
132.0722656	0.02
133.0545044	0.54
133.9719849	0.37
135.0710297	0.60
135.9984436	0.13
137.1437073	0.13
138.0528259	0.06
140.0226135	0.51
141.0982971	0.21
142.0138397	0.27
143.1186218	0.02
145.1874847	0.16
146.6055450	0.05
148.2584076	0.23
148.9176331	0.06
150.1681824	1.26
150.8986359	0.11
152.0177155	0.23
152.9790192	0.29
154.1158752	0.07
155.0045013	0.16
159.0212250	0.38
161.1274109	1.03
162.2120514	0.05
163.0404510	0.14
164.1807098	0.12
166.1764526	0.47
167.0364227	0.09
168.1998138	0.10
168.9672241	0.08
172.9956665	0.54
174.1401825	0.04
175.1933594	0.41
176.1858063	1.25
177.0935974	0.07
178.0989990	0.03
179.1608429	0.72
181.0312347	0.05
183.1608429	0.52
190.1885681	0.84
192.1485443	7.52
194.1030273	15.80
196.1485901	0.11
197.1660004	0.19
198.1898041	0.09
200.2140350	0.59
201.1832123	0.57
205.2583313	0.07
207.1245880	0.09
208.1690826	0.34
210.2764130	24.89
212.2553558	100.00
213.2259827	0.54
218.1822205	4.72
219.1192780	0.75
220.0579681	0.04
223.8020935	0.15
226.1245270	0.29
228.1972809	0.43
234.3126984	0.06
236.1875458	15.84
237.1970367	0.03
238.1673584	0.03
244.3751984	0.06
252.3465424	0.35
253.0067596	0.09
254.2066193	69.16
255.1255341	0.46
257.8515930	0.06
263.1172485	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	205.0965
Annotation	Tryptophan
Peak:m/z	Relative Intensity
96.68792725	0.01
118.2266541	0.01
122.9510803	0.01
131.9191284	0.03
135.2317657	0.01
145.1742096	0.01
148.8868713	0.02
159.0820618	0.08
161.2035065	0.01
169.1751709	0.01
188.0704346	100.00
188.8679047	0.00
196.0668182	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	272.1866
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
82.0961990	0.02
97.1463165	0.11
109.2079620	0.01
114.1806335	0.06
123.0373077	0.08
123.9623413	0.06
125.0503845	0.88
126.2251282	0.02
126.9974976	0.08
127.9982605	0.12
132.0021210	0.02
137.0371399	0.10
141.2484894	0.20
143.1202698	0.13
144.2201691	0.03
153.2219849	0.02
155.2002411	0.29
156.2496490	0.02
157.1997223	0.09
161.2466583	0.06
164.1871338	0.02
165.2829895	0.02
166.0583191	0.04
169.0017242	0.04
171.2225494	0.22
172.1862183	0.03
179.0739441	0.17
182.0206146	0.05
185.0484314	0.02
191.2158508	0.16
192.2333832	0.16
193.2547913	0.02
197.1887512	0.23
199.3447723	0.24
201.0677338	0.05
204.2182770	0.06
208.0310211	0.02
209.2463226	0.36
210.1756744	0.60
211.1430664	0.06
212.1304321	0.12
217.6396637	0.05
218.3895416	0.16
222.1345367	0.02
224.2103729	0.18
225.3431702	0.02
226.1481323	0.35
227.2016602	0.02
228.2199707	0.31
229.2279663	0.59
230.8430786	0.07
234.3003540	0.83
235.2020264	1.92
236.2161713	5.59
237.3829498	0.25
243.4506836	0.04
244.4190216	0.02
252.1943512	0.94
254.2304688	100.00
255.2080841	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	166.0858
Annotation	Tricaine
Peak:m/z	Relative Intensity
120.0370026	100.00
120.7935638	0.02
131.043457	0.23
136.9004669	0.02
137.8096161	0.02
145.3426666	0.05
147.8938446	0.68
148.922287	4.67
149.5584564	0.02
154.4139099	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	280.2633
Annotation	linoleamide
Peak:m/z	Relative Intensity
80.90566254	1.25
82.97891235	0.19
84.1456604	0.13
86.00305176	0.23
94.95751953	2.53
97.06045532	0.85
98.86627197	0.22
99.92873383	0.14
105.0447922	0.12
107.0157928	0.22
109.0305786	1.07
110.9624939	0.71
112.0778961	0.15
113.2668228	0.29
114.0358734	0.79
117.0851898	0.08
120.9301529	1.72
123.0785828	1.14
125.1414719	0.80
127.0631409	0.09
128.0545654	2.29
133.0421143	0.78
135.1187744	2.37
137.0613098	1.70
139.1396637	1.70
140.1473083	0.23
141.0015869	0.26
142.0568237	2.69
147.0968018	0.87
149.1199951	2.75
150.9656372	2.76
151.8070984	0.36
153.0847015	1.01
153.7836304	0.44
156.190094	2.97
161.177124	2.01
163.107254	3.05
165.107193	4.90
167.1516724	1.65
168.0692139	1.34
170.0968628	2.33
173.0344391	0.84
175.2199097	2.76
176.9926147	0.23
179.2645416	4.23
181.2124634	0.47
182.094635	0.68
184.1502991	3.48
187.3220673	0.17
189.0894318	2.92
191.2815857	0.42
193.4877625	0.27
195.2085571	0.13
196.208313	1.06
197.1179504	0.12
198.0858154	1.45
203.2808228	0.99
204.2513733	0.40
205.2784729	0.90
206.1581726	0.31
207.1929321	0.64
210.2825317	1.53
217.2592163	0.54
219.2460327	0.23
220.3120422	0.10
221.3351746	1.17
224.2840271	1.99
230.9893494	0.13
234.7170715	0.06
238.2353516	0.85
241.1420288	0.25
245.2409973	47.68
249.1144104	10.47
250.5307007	0.39
253.1804504	0.07
263.2288208	100.00
263.8370361	0.27
265.3112183	0.11
279.1694031	0.79
280.2853394	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	418.242
Annotation	Mycalamide C
Peak:m/z	Relative Intensity
127.1685486	0.06
151.9538879	0.02
161.9270935	0.01
181.4135742	0.03
185.2422791	0.08
192.3160706	0.06
199.1622467	0.03
203.2168274	0.05
210.1129150	0.01
217.4815063	0.02
220.2425842	1.46
221.3573914	0.03
226.9452209	0.01
233.1456604	0.01
236.3304138	0.05
238.2994080	7.85
239.2298584	0.04
248.4569397	0.03
250.1398010	0.04
252.4881287	0.04
256.2344055	64.20
257.2948303	0.06
262.5599976	0.03
268.1562500	0.03
280.2708130	0.53
297.1437683	0.03
298.3512573	8.55
299.0999756	0.02
300.3101501	0.03
301.2694397	0.09
304.3236084	0.12
305.1347656	0.05
310.3862610	0.20
312.1587830	0.02
316.3165283	0.05
316.9949036	0.01
322.2652588	2.47
326.2840271	0.07
328.3421631	2.35
340.3712463	0.63
342.2255859	0.10
346.4262695	0.18
352.3087769	0.06
354.3425598	0.02
358.3685303	0.86
364.3885193	0.59
370.5550537	0.05
371.2144775	0.05
382.4222412	12.65
386.8519592	0.09
388.3353577	0.05
400.3458862	100.00
401.2047119	0.60
401.8443604	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	632.65
Annotation	Unknow
Peak:m/z	Relative Intensity
212.8791656	0.30
214.9494324	0.35
232.0312805	0.25
290.8684692	0.02
293.0383911	0.13
296.7116699	0.44
331.1953125	0.17
371.0220947	0.04
380.8860474	6.85
387.1052856	0.04
420.2228394	0.09
424.7954102	0.04
440.1238403	0.18
458.1686401	0.11
459.0885620	0.06
464.7510376	26.88
480.0972290	0.04
488.9126587	0.26
497.2319336	0.10
516.8827515	0.19
534.8464966	0.05
546.8600464	1.66
548.5982666	100.00
549.2774658	0.42
560.7761841	0.04
564.8278198	0.33
585.9896240	0.73
586.8464355	0.15
589.9398804	0.73
590.8527222	1.21
594.7390747	0.08
608.8076782	0.04
609.5485229	0.55
610.1531982	0.04
614.1761475	0.12
615.0109253	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.2245
Annotation	Lactulose
Peak:m/z	Relative Intensity
271.2157288	0.05
280.2260742	0.09
281.0753784	0.06
296.1964722	0.31
339.2440186	0.09
341.2082214	100.00
400.1020508	0.06
417.1110229	0.10
455.2266846	0.11
511.1835938	0.47
520.2197266	0.07
566.3541870	0.09
578.2186890	0.20
579.0036011	0.37
583.8533325	0.11
610.3426514	0.19
631.2536011	0.18
637.6849976	0.09
665.0184326	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	175.0247
Annotation	2-Dehydro-D-glucono-1,5-lactone
Peak:m/z	Relative Intensity
56.9581680	0.19
58.9431305	2.06
70.9590607	8.95
72.9595947	1.90
75.0146637	0.20
82.9570465	0.38
85.0168152	4.89
86.8700714	2.17
91.1321258	0.03
95.0535278	0.38
98.9485321	0.26
101.0017090	3.06
102.9727631	0.24
111.1073456	0.09
112.9296570	6.51
114.8707733	100.00
126.9472046	1.71
129.0151978	1.05
130.8535919	3.40
132.0908508	0.04
146.9893188	0.39
157.1109619	0.49
175.1987610	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2832
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
113.0479584	2.66
122.7117157	1.04
124.890625	2.12
126.8359528	1.57
130.9150696	1.41
132.9968719	0.73
135.0898438	0.81
137.2237854	2.70
139.0028992	2.81
140.9105072	3.62
146.976181	1.20
149.0243835	100.00
150.0565796	47.92
157.0211182	2.50
158.9455719	1.50
163.1326294	1.15
167.0101013	25.30
167.8693848	2.62
172.6591187	0.89
174.9666138	3.23
176.1247253	0.73
177.0225983	3.22
179.0832214	0.89
183.9654694	2.39
185.1497955	2.47
191.2858582	0.73
195.3982849	1.50
197.1499634	5.27
198.752121	4.49
201.7027588	2.08
205.2857971	1.85
207.132431	1.04
211.1976166	0.89
212.289856	1.16
212.9233856	1.10
215.1669312	0.82
225.2991638	3.35
227.1789246	1.41
229.1596375	1.36
231.1216431	3.31
237.3556213	1.04
245.9429626	1.89
247.4433594	1.73
248.7888794	2.47
251.1807251	8.47
255.1368408	1.15
257.4898376	1.27
259.7463074	0.66
261.3705139	7.63
262.140564	3.07
268.2399597	3.31
269.1131287	1.89
271.5548706	0.58
272.5587158	2.09
273.3552856	3.41
278.9344788	16.12
280.1769409	15.84
285.1414795	1.35
285.7940979	3.39
287.8967896	1.43
288.9247437	1.93
295.401947	0.89
297.862915	4.98
302.0330505	1.66
302.928833	4.36
306.4783936	7.12
307.1866455	2.94
316.2243652	4.89
321.2244263	2.00
322.0361328	0.89
323.1362915	3.08
325.1298828	4.70
325.8754272	2.46
327.3935242	1.86
329.4863586	1.89
332.1958313	4.87
333.5211792	1.43
334.263855	2.56
335.1994934	6.19
339.2997131	0.96
341.0913391	1.01
342.57901	12.93
343.2371826	17.45
346.0600891	1.54
346.9372559	2.01
351.3972168	11.09
357.2540283	8.92
358.2892761	1.27
359.5097046	3.95
361.2612305	3.39
362.3168335	1.35
364.3612366	3.79
369.3598938	3.65
374.2184753	31.43
375.0449219	13.93
375.6897888	3.95
382.881012	2.65
393.221283	0.74
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
84.95819855	0.18
89.21204376	0.41
93.25311279	0.38
95.04245758	1.82
96.8588562	1.25
98.7611084	0.17
102.9808655	0.11
106.9099426	1.50
109.0353394	2.06
111.0103912	0.08
113.0964661	1.24
120.1759338	0.29
121.0436859	1.63
122.9513168	2.57
124.9210663	0.11
126.8522339	1.15
128.9189606	0.49
133.0822449	1.29
135.1133423	1.28
137.0256958	1.53
139.0106506	3.16
140.9928589	0.64
143.0042725	0.21
144.6851044	0.09
147.1022949	0.41
148.1198425	0.11
149.1773682	1.32
151.217804	0.97
152.9876709	1.55
155.0888367	1.85
156.9782104	0.89
158.9796448	0.65
161.1398468	0.34
163.1424408	0.11
165.222229	1.28
167.0296326	0.88
169.042984	2.33
171.1360168	0.71
173.2595978	0.48
175.3142395	0.31
177.0681763	0.28
177.9779205	0.11
181.1156921	1.53
183.1695709	2.61
185.2378082	1.40
185.9588928	0.47
187.3025818	0.12
189.1880341	1.00
191.3179779	0.40
192.9805603	0.24
195.0979919	1.64
197.1556396	5.70
199.0786743	0.59
201.1250916	0.57
203.2846985	3.13
205.1375122	0.51
207.2911987	0.14
209.3028259	0.66
211.1052551	2.07
213.2559814	0.84
215.1066589	0.64
215.982605	0.83
219.2951355	2.09
221.1177673	2.93
223.2304382	1.60
225.2809448	2.42
226.3782959	0.39
227.2764893	0.41
228.8004456	0.18
229.5075378	0.17
231.2341003	0.11
233.2217407	3.78
235.3200378	0.25
237.1887817	6.21
239.2276306	8.60
243.3361816	2.54
247.3656921	0.38
248.6958008	0.07
251.2318115	3.37
252.1002808	0.36
253.20047	0.57
254.1101685	0.95
255.0409241	1.79
256.0262146	0.86
257.3328857	2.31
259.2694397	0.10
261.1728516	6.58
263.2839966	0.16
265.1462097	0.34
266.7222595	1.97
269.0257874	1.54
270.540802	0.80
272.3023376	0.48
273.7696838	0.22
276.3174133	1.28
279.2349243	100.00
279.9535217	0.86
281.1976929	1.41
288.2227173	4.92
289.6681213	0.25
296.0391235	0.16
297.150238	0.63
298.2833252	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	515.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
158.0990295	0.05
161.0252228	0.17
171.0598297	1.26
172.0364227	1.91
173.0935974	5.32
175.1018677	0.04
179.0932922	0.70
190.9607697	0.03
220.9382019	0.11
233.2098541	0.19
264.9681396	0.07
275.1884155	0.14
322.1063232	0.03
335.3338623	0.13
341.1877441	100.00
342.2212524	0.35
365.4383545	0.20
379.4260864	0.04
383.2128906	0.23
394.9973145	0.09
397.3320923	0.05
398.0242310	0.04
399.3519897	0.07
425.0421143	0.09
444.1014404	0.07
453.1275024	0.07
455.2481079	0.07
457.2366333	0.04
471.1084595	0.10
479.0552368	0.21
485.2990112	0.13
496.2839966	0.11
497.2796631	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	401.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
128.1659241	0.03
162.8913116	0.02
177.1112366	0.04
178.9313354	0.03
182.1056213	0.08
193.1239014	1.48
195.2170563	0.03
197.0355072	0.06
199.1165466	0.03
203.1299896	0.22
209.1635742	0.03
220.1806946	0.05
221.1078186	0.04
222.0625305	0.04
229.4019775	0.02
233.0110779	0.03
243.8475037	0.07
249.1754150	0.03
255.2868347	0.04
256.4503784	0.03
259.2456970	0.05
271.0910034	0.04
273.3428345	0.08
282.2889099	0.03
283.2879639	0.03
294.3188782	0.11
296.9894409	0.07
305.4619446	0.02
309.2368164	0.17
310.2728271	0.44
311.4527283	0.08
315.2892456	0.02
316.6207886	0.03
327.4635010	0.02
328.4425049	0.02
329.0535889	0.04
330.1528320	0.02
333.2911682	0.03
337.2337646	0.04
338.8981934	0.06
341.2310181	0.16
351.4045410	0.02
354.5438843	1.08
355.2524414	3.66
357.1873474	100.00
358.0673218	0.02
359.4498901	0.03
365.1179504	0.11
368.1083679	0.06
369.2780457	0.02
371.2313232	0.02
378.6279907	0.05
381.0540771	0.03
383.2506409	3.59
384.3299866	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	230.01
Annotation	Benzeneacetamide-4-O-sulphate
Peak:m/z	Relative Intensity
81.8624420	0.54
96.0030518	2.43
108.0714874	1.74
111.0645142	0.05
114.0175781	3.65
138.0562134	0.05
139.8139496	0.20
142.0309601	73.57
149.0489807	0.09
157.2219391	0.06
158.1186829	0.19
160.0023804	0.20
168.4669342	0.06
181.9380951	0.07
183.3654938	0.13
186.0857697	100.00
200.1222382	0.12
202.1766815	0.06
203.1585541	0.07
210.0748444	0.10
211.0197906	0.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.29
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
123.0469055	4.77
136.9509888	1.95
152.9824829	5.66
155.9967957	3.65
157.2879791	2.29
161.0930786	9.08
167.0046387	7.57
171.2769012	2.29
174.7107849	3.46
177.2301636	1.61
181.4808655	14.84
191.1359406	1.61
194.0829773	1.45
207.141449	5.58
209.2161713	5.35
211.2395325	3.30
214.3000336	2.45
215.5034332	4.99
216.8991699	5.90
223.1571198	3.30
223.7650299	2.74
227.0551605	3.78
228.3502502	6.31
230.2637482	2.06
242.5646362	2.44
243.2217407	3.57
245.2268677	2.56
247.3338623	2.46
251.2290344	2.90
254.3128052	5.51
256.0572205	2.37
263.3671875	4.15
265.1518555	3.30
267.3796997	7.97
267.9832458	3.95
270.0085144	2.29
277.7658691	6.62
280.2810669	4.93
281.4235535	8.15
287.1188965	1.95
290.6795654	4.25
291.3384399	13.32
301.2131348	2.11
305.8633423	2.63
312.0142517	7.78
313.9264832	9.88
325.3625488	2.12
328.4428406	1.95
332.4978943	1.95
334.1497803	1.69
336.1148071	7.01
339.5513611	6.09
342.34729	5.28
347.3044739	7.11
348.8196106	2.12
354.2814941	7.61
354.9423218	2.89
356.8305664	2.29
360.3046265	4.16
361.4728088	6.47
364.321106	2.63
366.3154602	4.14
367.2911377	11.74
368.131897	1.63
377.3305054	3.64
380.3483276	15.69
381.4075623	1.95
382.223114	4.14
384.3669434	1.73
385.1539612	12.54
389.3666992	3.91
390.3565063	2.46
391.3047485	9.64
394.2539062	5.84
395.3574829	9.13
407.5661316	55.17
408.2811584	100.00
409.2194214	24.14
410.122467	2.77
411.3640747	20.82
412.3972473	1.79
417.3291321	12.06
429.2120361	2.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	387.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
119.0447617	1.82
122.8280640	0.38
135.9261475	5.08
137.1540070	0.16
142.1226196	0.62
146.2145996	0.90
147.0867004	0.75
160.0634308	1.70
163.7217102	0.20
165.0571136	16.48
166.1340637	1.03
170.0230103	0.45
171.1280823	0.45
175.1370239	0.28
177.1227722	0.44
182.0429840	100.00
183.0740204	3.45
188.0838928	3.73
201.8552704	0.84
204.2823029	0.31
205.9645081	24.01
208.0212555	0.93
219.2710266	0.20
221.2244873	0.13
224.2724915	0.51
227.2872314	0.23
235.1300964	0.21
239.1587830	1.01
245.2069092	0.28
250.2902832	0.25
254.3246460	3.26
255.2728271	0.55
264.7356567	0.22
268.9137573	0.89
296.3476562	0.33
298.1058350	1.13
306.0360107	0.29
313.2237854	0.94
324.3978882	0.54
350.2617188	0.19
357.3446960	0.46
369.2469177	16.01
370.3237305	1.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	382.1695
Annotation	Trans-Zeatin-9-glucoside
Peak:m/z	Relative Intensity
120.1505585	0.03
124.2853394	0.04
126.9255524	0.04
131.0456543	0.02
136.130188	0.03
142.0353699	0.04
143.0748749	0.07
145.036438	0.02
155.9276123	0.02
157.844635	0.01
159.1963348	0.04
164.0108643	0.04
166.1486511	0.21
173.0431213	0.01
174.1206665	0.06
176.0529175	0.03
177.0641785	0.07
179.0831909	0.08
184.0187531	0.86
200.9602356	0.06
202.169281	1.86
203.2266846	0.05
217.110733	0.13
217.9459534	0.02
220.1164703	100.00
237.5519714	0.03
250.3881226	0.02
255.2523193	0.01
260.9910889	0.03
262.1536865	0.04
263.9876709	0.04
271.2059021	0.05
276.157959	0.05
280.1501465	0.04
291.1889954	0.05
292.0904236	0.02
300.7717285	0.30
309.0721741	0.04
320.1828613	0.04
324.5784302	0.04
329.1722107	0.02
331.4294739	0.02
335.1436157	0.02
336.1082764	0.11
337.1233215	0.02
338.2966309	0.16
341.1640625	0.04
345.7227783	0.02
347.2504272	0.03
351.2810669	0.02
352.9428711	0.03
353.7409363	0.18
354.3582764	0.03
363.4270325	0.07
364.3578186	0.37
365.480011	0.04
373.2252197	0.04
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
88.97716522	0.20
92.76727295	0.24
94.94085693	1.23
97.06009674	2.34
98.94261169	0.31
105.0139771	0.14
107.0323257	0.63
109.0711365	1.97
111.0039444	0.84
112.999939	0.27
115.1989365	0.40
119.084259	0.61
121.0658798	0.47
123.0349503	2.20
125.0021973	0.35
126.875885	0.58
133.1499939	0.78
135.0457764	1.39
136.2204742	0.13
137.1153259	0.38
139.0353088	1.58
140.0407867	0.08
141.2322235	0.50
143.1154785	0.41
145.0956421	0.36
146.9268494	0.15
149.1908417	1.74
151.153717	0.52
153.0522156	1.89
155.2651978	0.42
157.0919189	1.10
159.2583008	0.39
160.9445953	0.59
161.5744324	0.21
163.1691132	0.11
167.2262573	0.49
169.0114441	1.11
171.0445251	0.76
173.1860046	0.05
175.1457977	0.38
177.3440857	0.84
179.1191101	1.20
181.0066833	0.50
183.069397	5.99
185.2537231	0.07
186.9766693	0.14
188.8390503	0.29
189.512085	0.15
190.9036713	0.59
193.2905273	0.70
195.360733	0.42
197.1007996	6.75
199.2063904	1.15
200.214386	0.28
201.2784729	0.07
203.2745667	1.49
205.3396912	0.19
207.4859009	0.35
209.2432861	2.19
211.1697083	2.35
213.1938782	0.51
215.1070251	0.18
219.1504517	1.17
221.2028809	2.70
223.100647	0.48
224.2461853	0.12
225.1383362	2.24
225.9872131	0.16
227.2233276	0.85
228.9142151	0.42
233.3284302	4.29
235.5209961	0.22
237.2316589	4.88
239.2954712	14.08
240.0430603	0.05
241.1665344	1.24
243.2041321	3.79
249.1853027	0.08
251.2626038	6.77
252.2594604	0.30
253.2721252	0.78
255.3021545	2.91
256.0289917	0.31
257.1174622	1.98
261.3022461	4.19
266.6751099	0.11
267.2858887	0.28
269.2077637	0.64
279.223999	100.00
280.1514893	0.47
287.9393616	0.75
297.2620239	0.26
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
98.93135071	0.52
100.9780197	6.15
106.5376511	0.35
113.0269699	23.44
114.9622269	0.97
118.9071045	18.24
125.053688	1.27
130.9462433	7.72
133.2131958	0.18
143.0531616	22.43
148.9307251	2.85
159.6665649	0.42
160.9488831	18.63
179.0484314	100.00
183.0121765	0.40
185.0786438	0.15
197.2935791	0.11
199.2600555	0.10
212.3040771	0.24
213.2171021	0.20
233.0221558	0.36
280.8560486	1.22
281.4563599	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.225
Annotation	Lactulose
Peak:m/z	Relative Intensity
281.2436829	0.07
321.2458191	0.02
339.2289124	0.65
341.1410522	100.00
341.7556152	0.22
608.7776489	0.10
662.0834961	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	302.84
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9757233	0.79
140.0573730	0.03
182.8710022	0.03
213.4436951	0.02
216.8466797	0.02
218.8814392	100.00
222.0794067	0.03
236.9494019	0.07
240.1828003	0.02
242.0350647	0.05
256.9021301	0.02
284.1700134	3.54
285.1900940	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	696.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
205.1827393	0.08
218.3354950	0.24
263.2611694	0.14
279.2398682	0.16
308.3430176	0.24
315.1865540	0.59
329.2222595	0.05
353.3627319	0.06
356.2339478	0.27
362.2601929	1.07
363.6199951	0.15
380.2518311	100.00
381.3558350	0.54
414.0817871	0.16
418.5316772	0.07
458.2826538	0.04
534.5692749	0.10
575.2156372	0.23
609.0825806	0.26
617.9089966	0.04
637.4284058	0.12
652.3038330	0.09
661.3841553	0.07
677.1397095	0.09
678.5190430	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	638.68
Annotation	Unknow
Peak:m/z	Relative Intensity
219.1999359	0.13
241.2188568	0.08
303.0060425	0.73
308.8655090	0.08
337.2064819	0.06
340.3304443	0.25
377.1058960	0.09
382.7966919	0.06
386.8718872	2.04
395.0253906	0.11
463.2129517	0.15
463.9337158	0.91
464.9389038	0.72
467.5364990	0.10
468.7595825	0.13
470.8004761	34.95
482.9100342	5.69
483.8344116	0.06
519.7415161	0.19
540.4923706	0.15
550.7792969	0.13
552.0529175	1.26
552.8530273	0.66
554.5421143	100.00
555.4686890	0.22
591.9602051	1.37
592.9960938	0.09
593.8704834	0.13
596.0902100	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	401.1451
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
113.2017212	0.07
118.7010956	0.05
125.0467224	0.32
129.1415100	0.11
130.8310699	0.19
136.9675446	0.10
143.0446167	0.41
149.0571899	0.10
158.8026733	0.56
161.0316315	9.79
162.1505585	0.02
172.9758606	0.13
174.0536804	0.03
177.2000732	0.11
191.1980743	0.31
196.5984192	0.03
197.2604523	0.03
203.0995026	0.02
207.1737671	0.03
219.9736633	0.06
221.1245422	0.03
232.2716675	0.02
233.0679932	0.09
235.9222412	0.04
238.2446899	0.03
239.1663513	0.27
251.1970825	0.14
269.1554565	100.00
275.1217651	0.04
293.1690063	0.66
296.3529358	0.15
297.3933105	0.03
305.4366455	0.02
311.1783142	0.22
325.1123657	0.02
337.5142822	0.10
339.3287354	0.04
347.4213867	0.05
354.2751160	0.06
355.3762817	0.09
356.2023010	0.07
357.2517395	0.31
364.3894043	0.02
365.1551514	0.03
366.2886353	0.18
382.3288879	0.13
383.3695068	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	587.91
Annotation	Unknow
Peak:m/z	Relative Intensity
245.0608215	0.12
273.0621948	2.24
274.2215271	0.94
357.1970825	0.12
359.1066284	0.26
386.6818848	0.09
387.3811035	0.34
389.1799927	0.20
405.3584595	0.10
406.1740723	0.12
427.0936279	2.40
428.1217651	2.35
429.1736450	0.06
430.0434570	0.30
441.1340332	0.10
444.1745605	0.03
454.8549194	0.44
457.1781006	0.10
467.8917236	0.14
472.9481812	2.99
474.0039062	1.05
485.3903198	0.38
498.1707153	0.23
499.3500977	0.41
500.9478760	0.05
503.0587769	0.07
513.0142212	0.09
529.0103149	0.09
531.8190308	0.07
540.9586792	100.00
541.9226685	64.69
542.9347534	0.69
543.5736694	0.48
544.2225952	0.57
546.7247314	0.23
555.7741089	0.27
557.9122314	0.07
558.9702148	0.10
559.8392944	0.31
560.8150024	0.07
563.0194702	0.80
564.6269531	0.12
572.3983765	0.06
576.8588867	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	731.2912
Annotation	Antibiotic A 32Y3
Peak:m/z	Relative Intensity
217.3273621	0.08
227.1292725	1.81
227.9326935	0.12
245.0494843	0.81
247.0410004	0.05
249.8198547	0.15
252.0521545	0.21
256.4350891	0.28
258.4023743	0.08
261.8352661	0.03
264.2532349	0.16
266.3049011	0.08
267.1892090	0.14
268.1987305	0.29
274.1885986	0.24
276.1385498	0.24
280.1233521	0.24
282.2302246	0.09
284.1505737	0.22
291.9700317	0.06
298.1436462	0.03
300.0363464	1.30
301.3430786	0.26
302.0467834	0.74
303.5071106	0.54
304.2277222	0.15
305.2196350	0.09
310.2592773	0.21
311.0853882	0.33
318.1413574	1.25
320.3308716	0.42
328.1089478	3.64
329.2664185	0.48
340.3493652	0.18
342.2930908	0.24
345.5901489	0.15
346.2075195	3.47
347.2824707	1.22
349.4323730	0.88
350.3656006	0.13
353.1066895	0.24
353.8496704	0.17
354.8057251	0.09
355.5098877	0.08
356.7313843	0.07
360.2628174	0.05
361.1862793	0.38
365.2432251	0.05
367.0239258	0.19
371.2966919	0.14
376.3884888	0.07
377.4768066	0.41
378.4035034	2.09
383.7704468	0.10
385.0424805	0.26
388.0990601	0.32
390.4096680	0.11
395.0717163	0.54
397.2037964	0.38
399.4841919	0.28
401.3393555	0.08
403.1748047	0.71
404.3305054	0.06
405.0169678	0.69
409.5948486	0.34
410.4304199	0.09
413.3547363	0.80
414.4237061	0.46
417.3870850	0.12
418.2724609	0.09
418.8741455	0.43
419.7852173	0.10
425.2221069	0.12
429.2347412	0.13
431.2496948	12.57
432.2766724	2.83
433.1544800	1.21
448.0275269	0.09
449.2054443	2.20
450.1562500	0.42
451.2552490	0.27
453.2225952	0.13
454.2318726	0.06
456.6962280	0.27
460.4620972	1.21
461.1262207	0.31
462.3165283	0.29
469.7041626	1.78
470.5607300	0.44
472.2639160	1.65
474.9837036	0.05
481.2907104	0.46
488.4157104	1.18
491.2304688	0.14
492.4738159	0.15
496.1531982	0.42
497.3937378	0.14
502.3271484	0.13
506.5259399	1.56
507.4318848	0.46
508.0422363	0.15
515.3253174	0.25
521.3892212	0.22
523.0572510	0.28
524.4570312	1.60
525.1506958	0.77
528.2443237	0.26
533.6604004	15.01
534.5686646	0.99
535.2251587	0.11
538.6027832	0.23
543.5197754	0.16
544.6341553	0.22
547.7919312	0.45
549.7504883	0.25
557.5570679	0.74
558.4649048	0.15
560.4642944	0.17
566.6456299	0.17
570.7331543	0.23
575.3458252	0.54
576.4464722	1.48
579.3732910	0.07
581.2539062	0.23
582.4721069	4.03
583.2351685	0.77
584.0405884	0.18
585.5734253	0.10
587.2838135	0.19
591.1122437	1.43
592.1019897	0.06
592.7749023	0.27
594.3831787	0.12
598.6289673	0.08
602.3054199	1.30
603.1914062	0.52
604.6431274	0.24
605.6807251	1.76
606.5300293	0.29
607.6735229	0.04
610.5932007	1.69
612.9418335	0.42
613.7614136	0.11
615.2102051	0.90
616.5770874	10.52
617.3064575	4.99
618.2153931	0.16
619.2997437	0.12
620.2049561	0.22
623.6054077	0.88
624.3449097	0.48
626.4008179	0.57
627.0069580	0.65
627.9273682	0.20
629.5589600	0.44
630.7978516	0.60
632.4992065	0.85
633.1835327	0.43
634.7684937	0.34
638.2271729	0.79
639.1253662	0.83
643.9951172	2.41
644.8754883	8.22
645.7923584	0.38
648.5088501	0.17
650.0596313	10.50
650.6948242	28.10
651.8838501	2.08
653.2333374	0.62
654.1082153	0.76
654.9951172	0.24
656.1046143	0.47
656.8110962	0.28
657.8192749	0.30
658.5836792	0.17
659.2147827	0.19
660.5686646	0.77
661.6605835	1.97
662.7857666	0.25
663.9242554	0.25
665.2777100	0.67
668.1163330	0.51
669.2302246	0.62
669.8914795	0.66
670.8768921	0.61
671.4787598	0.48
672.5582886	0.08
674.2900391	0.74
675.3137207	0.41
676.9351807	4.54
678.0211792	10.65
678.7321167	7.29
679.5958862	2.50
680.5143433	0.30
682.7024536	23.92
683.4279175	12.16
684.7051392	1.32
685.8822632	0.12
686.5394287	0.53
687.5384521	0.10
688.6503296	23.63
689.4391479	17.61
690.8638306	4.23
692.1259766	1.06
692.9102173	0.26
693.5714111	0.27
696.5501099	0.47
697.2340088	0.31
699.8683472	4.56
700.9725952	1.93
701.6343384	0.04
702.6763306	0.76
703.8430176	0.45
704.8208618	0.20
705.4616089	0.93
706.3484497	1.92
707.5396729	0.81
708.5008545	4.68
709.5352173	3.16
710.3882446	2.36
711.1874390	3.78
713.6201172	6.95
714.5381470	19.14
716.0731812	1.11
716.9515991	1.79
717.8711548	1.34
719.6801758	33.10
720.3858643	50.13
721.7301636	0.58
723.2476196	0.46
726.0223999	0.10
726.7548218	0.23
731.8063354	0.11
746.4409790	0.05
748.3897705	0.89
749.4515991	0.77
753.3052368	0.07
756.0583496	0.25
760.2042847	0.11
761.4680786	0.29
762.7315063	0.10
765.4223022	0.19
770.2243042	0.15
777.4446411	1.16
778.2913208	2.95
779.8034668	0.20
780.6190186	0.23
782.3932495	0.18
783.2564087	0.26
784.3561401	0.23
785.8461304	0.16
787.3081665	24.72
788.3439331	8.42
789.0027466	0.34
792.4121704	0.19
793.3287354	0.28
794.6174927	0.37
798.1089478	0.22
799.8152466	1.00
800.5170288	0.29
804.5872803	0.20
805.7820435	0.30
807.4689331	0.14
808.7581177	0.21
812.5452881	0.20
814.7216187	0.49
818.6489868	0.53
819.9006958	2.44
820.6192017	1.03
821.4981079	0.44
822.1356201	0.42
827.2105103	0.05
828.0648193	0.48
829.0142822	0.23
830.2915039	0.93
831.5270386	0.31
835.2572021	1.46
836.0963135	2.91
836.7090454	2.08
837.5704956	0.67
838.4983521	0.38
840.2096558	0.09
841.9869385	0.63
844.2814331	11.25
845.0353394	4.78
845.8085327	2.00
847.1698608	0.24
848.2697754	0.22
850.1463013	0.34
850.8667603	0.19
855.2001953	1.90
856.0331421	1.16
857.0334473	0.33
857.9838867	0.05
859.1124878	0.14
863.9641724	7.64
864.7009888	11.61
865.5951538	1.06
866.2744751	0.08
867.4603882	0.15
872.8315430	100.00
873.7765503	33.20
874.8256226	0.98
875.5784302	0.09
878.1599121	0.10
879.5253906	0.32
880.5736694	0.28
881.2946777	0.28
883.4921265	0.28
892.4357910	0.45
893.1353149	0.17
894.1544800	0.74
902.2443848	0.95
906.8591309	0.73
907.9707642	0.10
909.1941528	0.52
915.5253296	14.78
916.2979126	9.25
917.2934570	2.60
922.0917969	0.41
924.4098511	80.23
925.3928833	25.07
926.3799438	2.95
929.0563965	0.53
929.7517090	0.24
932.3585815	0.16
937.5817261	0.77
938.8942261	0.78
940.4132690	0.22
941.2484741	0.87
944.5338745	0.67
945.1589355	0.23
948.2560425	0.69
957.9048462	1.29
960.5214233	0.18
961.9491577	0.21
963.7256470	0.97
964.5261230	0.47
966.1574707	6.51
967.2893066	1.78
968.7203979	0.10
971.0416870	0.36
972.4296875	1.90
974.7848511	15.66
975.9211426	8.36
976.8808594	0.82
979.4653931	0.10
980.3949585	0.36
981.2247925	0.40
981.8391113	0.17
988.5654907	0.08
995.1333618	0.32
996.5668945	0.21
997.5021973	0.30
998.3371582	0.72
999.0375366	0.27
1002.2135620	0.14
1005.1049800	0.43
1011.8291020	0.11
1013.0426640	0.50
1014.4895630	0.51
1015.7519530	0.24
1023.3171390	3.47
1024.1437990	1.16
1025.1958010	0.64
1032.3925780	6.05
1033.1794430	3.46
1033.8117680	0.38
1037.6861570	0.44
1044.0705570	0.29
1048.4631350	0.18
1065.8378910	1.29
1066.7677000	0.69
1067.6662600	0.29
1073.6385500	0.19
1091.4468990	0.09
1092.8170170	0.11
1093.8083500	0.29
1094.6889650	0.05
1104.3441160	0.10
1109.1390380	1.11
1110.2817380	1.30
1112.5842290	0.08
1113.7536620	0.22
1127.1926270	0.26
1132.9562990	0.07
1134.7758790	0.27
1139.3127440	0.20
1140.8110350	0.14
1146.7861330	0.05
1164.9338380	0.10
1196.6457520	0.17
1198.1708980	0.08
1202.6484380	0.36
1203.5024410	0.13
1223.0031740	0.14
1228.5627440	0.13
1238.5859380	0.14
1239.3170170	0.08
1240.8372800	0.12
1256.9066160	0.14
1265.9979250	0.08
1285.4738770	0.23
1287.3450930	0.15
1306.8458250	0.14
1319.8145750	0.18
1322.6547850	0.40
1326.1829830	0.10
1338.6346440	0.08
1339.4035640	0.05
1356.1739500	0.18
1356.9526370	0.23
1357.7427980	0.09
1358.5948490	0.07
1366.6473390	0.65
1368.9252930	0.14
1469.6593020	0.12
1472.0477290	0.04
1485.0201420	0.10
1556.7335210	0.19
1652.9141850	0.23
1659.8089600	0.05
1681.4722900	0.08
1687.7012940	0.06
1720.0975340	0.47
1774.8431400	2.07
1796.9577640	0.08
1838.9449460	0.16
1882.6483150	0.17
1901.8693850	0.19
1905.6973880	0.12
1920.3917240	0.20
1927.5997310	0.64
1933.8923340	0.10
1938.9055180	0.09
1942.4694820	0.06
1943.1939700	0.33
1947.3721920	0.16
1948.7445070	1.15
1953.1937260	0.17
1959.7760010	9.55
1964.8018800	0.19
1966.9754640	0.12
1971.4364010	0.04
1974.6682130	0.40
1981.1282960	0.79
1985.1893310	0.04
1987.2901610	0.99
1992.5095210	0.38
1994.3463130	7.93
1994.9747310	0.22
1997.3967290	0.93
1999.1105960	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
94.87840271	1.32
96.92337799	2.67
98.94313049	0.38
102.9755096	0.78
104.8656158	0.79
107.1485443	0.36
109.0816116	2.17
110.9632568	1.59
113.0762634	1.93
118.9104462	0.30
121.1045074	0.69
122.2160263	0.43
123.0832214	2.05
125.0960083	1.83
127.1822357	1.02
129.2609253	0.36
131.026947	0.83
133.1827698	0.54
134.9484558	0.23
137.1502686	1.02
139.0009613	2.13
140.8374023	0.78
143.1696167	0.31
145.406189	0.77
149.1340179	0.67
151.281189	1.01
152.9963074	1.70
155.0156097	1.01
161.1695099	0.43
162.835907	0.38
165.0038452	2.80
167.0540466	0.58
169.2115784	1.50
171.2092133	0.40
173.1339111	0.72
178.0167236	0.82
178.9641418	0.95
181.1191711	1.74
183.1340027	0.69
185.2346802	0.30
189.0626678	2.22
191.0821533	0.42
192.3744965	0.77
193.3339844	0.38
195.4158936	0.68
197.1007996	3.19
199.1442566	1.15
203.2405396	2.22
204.8318176	0.51
207.2077942	0.33
209.1588135	1.60
211.2526855	2.48
213.2731628	1.77
219.5426636	0.42
221.0591431	2.72
223.2074585	0.25
224.7999573	0.40
227.2709961	1.67
233.2571716	1.43
235.2166138	1.04
237.171051	3.42
239.140686	10.64
241.3847656	0.55
243.2245789	4.22
251.2537231	2.96
253.5197754	0.47
254.2989807	0.24
255.3246765	3.45
256.9526978	1.86
261.3292847	3.13
269.2923584	0.42
279.2282715	100.00
280.1170349	2.73
284.3497314	1.30
287.6014404	0.40
288.3467712	2.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	478.294
Annotation	PC(15:1(9Z)/0:0)
Peak:m/z	Relative Intensity
152.8904419	0.21
164.9254761	0.09
196.0975189	1.66
213.9820709	1.57
246.1340332	0.13
253.3906555	0.21
266.9909973	0.03
281.3865662	100.00
350.2234497	0.11
352.0238647	0.06
393.6428223	0.09
415.3165588	0.20
417.3015747	0.22
429.1107178	0.10
434.2372437	0.14
434.9726257	0.15
440.5119934	0.31
441.9746399	0.84
442.6351013	0.07
447.2205200	0.06
451.6569214	0.06
452.4789124	0.06
459.6653748	0.25
460.5038452	0.74
461.2499390	0.27
462.5387878	0.16
463.1571350	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.9796829	0.72
99.0146027	0.08
100.8464355	0.65
105.1684418	0.05
106.9715958	0.26
108.0380936	6.07
108.9292374	8.50
113.0795059	0.63
117.3377533	0.06
119.0204391	0.20
120.9930191	1.44
121.9097061	0.23
123.0130615	0.84
131.0163422	0.09
133.0097198	0.71
134.7669373	0.37
136.0004883	0.19
137.0882568	0.06
142.8536072	0.31
144.1573639	0.09
145.1575012	0.12
147.1836243	0.07
149.2788544	0.18
150.9949646	5.37
151.9490356	35.16
152.9404449	100.00
158.3722534	0.06
160.9682617	0.42
162.9868164	8.49
165.0459747	12.57
167.0465698	0.37
174.9633789	0.21
177.0163422	1.33
179.0921021	3.03
181.1165466	3.68
187.3561096	0.11
188.9542236	0.07
191.0493164	0.16
193.2117004	1.07
194.0424347	0.18
195.1119537	4.33
199.0410461	0.16
200.7296448	0.11
204.9099731	0.04
207.1563721	3.97
209.1156311	0.13
217.2324219	0.31
219.1318970	1.58
221.1424866	0.25
223.1790466	0.05
225.0910034	10.31
231.1510925	0.15
233.0465393	0.07
237.0990906	1.08
249.2640991	0.12
261.0286255	0.06
267.4536743	0.42
268.2073975	0.35
269.4163818	0.11
270.0273743	0.15
271.1716919	0.11
296.5753174	0.38
297.2761536	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	598.2797
Annotation	Phoslactomycin A
Peak:m/z	Relative Intensity
171.2405701	0.11
177.0788574	0.66
177.9937897	0.03
179.1463013	2.23
180.1488953	0.15
181.2393494	0.06
183.2548523	0.03
185.0634766	0.26
192.0242310	0.13
192.9502716	0.07
197.1122437	0.24
210.2007294	2.22
211.1471558	0.15
213.0765381	0.40
218.1387787	0.04
226.3259735	0.02
228.1600952	0.16
231.2631836	0.15
236.1634064	0.31
242.2081604	0.34
254.1485138	12.14
255.0757446	1.49
256.1596680	0.05
257.1463318	0.04
272.1235352	13.20
273.2450562	1.00
283.3670654	0.03
288.2097168	10.26
289.1716919	1.08
291.3841553	0.04
306.1450195	100.00
307.1633911	11.85
312.3833618	0.15
326.0742188	0.02
341.1967163	0.02
397.4520264	0.06
437.5872192	0.04
443.4259644	0.08
451.3293457	0.03
453.5166626	0.03
468.0968018	0.04
469.4224854	2.65
470.5044556	0.88
490.2850342	0.02
494.9530640	0.05
505.3637085	0.05
525.4262085	0.05
537.4818726	0.02
538.6251831	0.03
552.3658447	0.10
553.2735596	0.13
555.5520020	0.14
557.7153931	0.06
562.7760010	0.05
570.9105835	0.05
580.3729858	7.68
581.3622437	2.48
582.0902100	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	377.09
Annotation	Unknow
Peak:m/z	Relative Intensity
113.1919556	0.07
161.2195587	0.04
179.0194092	0.70
197.0902863	0.52
215.0133972	9.45
233.2284546	0.12
317.1987305	0.12
331.3016357	0.07
333.3139343	0.19
341.1909180	100.00
359.1796265	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	418.24
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
125.0899200	0.04
131.1803284	0.21
132.8313293	0.12
134.0642700	0.09
136.0024414	0.04
136.9969177	0.29
143.1470490	0.17
146.8871307	0.08
153.0211182	0.14
159.0914001	0.09
162.2490234	0.06
162.8999023	0.06
164.0748291	0.08
164.8328552	0.21
170.1357422	0.05
172.0440369	0.06
172.9062805	0.08
174.0627594	0.05
175.0393372	0.45
177.0392303	0.21
181.8192902	0.18
183.1679993	0.26
184.0062561	0.10
187.4539032	0.21
189.1409454	0.07
194.0520935	0.27
197.1083984	0.22
201.0846558	0.12
207.2199097	0.08
209.1859589	0.09
219.0017090	0.13
220.2116852	1.87
221.2185974	0.38
222.0034637	0.06
223.2743530	0.24
224.6881104	0.34
227.1666107	0.03
233.1813354	0.35
234.2248840	0.05
236.3408508	0.22
237.4004211	1.32
238.2408447	5.20
239.2276917	0.20
245.4951477	0.19
248.6685791	0.23
253.1935730	0.13
256.2352295	15.48
259.1290283	0.05
260.1206360	0.25
261.5429077	0.29
263.3456116	0.09
264.4535828	0.05
266.2647400	0.29
267.0772705	0.32
268.3280029	1.19
269.2034607	0.19
272.6592407	0.44
273.2832336	0.06
274.4560852	0.34
275.2883301	0.60
277.0644226	0.43
280.3148804	0.30
281.3755493	0.17
285.0507812	0.05
287.2675171	0.32
289.1869507	1.16
290.3862610	0.08
292.0846863	0.18
293.1277466	0.20
296.3373413	0.28
298.4194336	0.24
307.2747803	0.84
309.1005249	0.43
310.2799988	0.88
311.3632202	0.30
313.0343018	0.56
314.4331665	0.06
315.3404541	0.33
316.2974854	0.15
317.1286011	0.41
318.8472900	0.63
319.9137573	0.27
322.2928467	0.74
323.7979736	0.68
325.1972656	0.41
327.1021423	0.62
327.7176819	1.00
328.3247681	9.40
329.2802124	0.48
330.0989075	0.05
332.6389465	0.07
334.4254761	1.24
336.3703613	0.16
339.2944946	0.47
340.3792114	0.95
343.1426697	0.13
346.3922119	2.01
347.2680054	0.34
352.3759766	2.61
354.2015381	0.24
355.1662903	0.73
356.4848022	0.23
357.7000122	0.13
358.6418762	0.35
362.5293274	0.10
364.3092957	6.26
365.2263489	0.15
369.4357605	0.15
371.1774597	0.31
372.0877380	0.36
373.3271179	1.86
376.3863220	0.16
377.0264893	0.10
378.5904236	0.48
380.1945190	0.31
382.3322449	17.29
383.3362122	0.66
387.3373718	0.08
388.3369446	0.19
389.1330261	0.06
390.4085388	0.12
393.5746460	0.21
400.3411865	100.00
401.4663391	6.21
408.6607361	0.33
409.3738403	0.64
419.3806152	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
142.9629517	0.03
160.9450836	0.05
194.1002197	0.02
212.7924194	1.62
219.1126709	0.07
272.9185486	0.05
284.3338318	0.02
296.8881836	29.06
302.8939819	1.51
303.5179749	0.04
309.0465698	0.07
309.7138672	0.13
315.0410156	0.09
327.1877136	0.02
332.5216675	0.04
345.0094604	0.56
356.9668579	0.36
370.9584351	0.05
374.6195374	0.25
378.4335632	0.14
380.6463318	100.00
381.4499817	0.46
384.5602417	0.02
386.9123535	0.04
393.0181885	0.09
403.2094116	0.03
404.7107239	0.39
422.8963318	0.05
435.0358276	0.03
446.4597778	0.07
447.0668640	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	683.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
237.4795380	0.06
264.2182312	0.09
341.1442871	0.22
353.2482910	34.88
354.2496948	8.74
354.8692627	0.15
399.4411621	0.04
407.0974731	0.06
490.9957886	0.08
518.1987305	100.00
519.1735840	26.64
536.0458374	0.05
555.1242676	0.11
637.0264893	0.24
638.3233032	0.95
665.2205200	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	222.0771
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
69.9754028	0.05
72.0903320	0.05
73.9568787	0.19
82.9784698	0.07
98.1323547	0.02
106.9977417	0.96
115.9445648	0.46
118.7905884	0.04
121.1584473	0.04
123.9665375	0.22
125.1473389	0.03
134.3251495	0.03
147.0794983	0.03
161.2046967	0.09
163.0822906	2.43
164.0968781	0.03
176.9226379	0.02
178.0845490	4.22
180.0282135	100.00
188.1012268	0.04
194.0281830	0.06
204.1327515	0.32
207.2117310	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	685.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
198.9550629	0.41
217.0039978	1.37
241.1977997	0.28
248.8520050	0.05
252.3308563	0.10
253.2244110	0.03
259.1477661	0.20
279.2726440	0.10
281.1264648	0.15
284.5338440	0.19
285.3046265	0.50
303.1857910	5.58
321.1145020	6.77
325.1057739	0.07
339.5089417	0.09
341.2427368	3.59
342.3287659	3.20
343.2755737	0.50
345.1682739	4.73
361.0964355	0.03
363.1798706	2.83
367.1144409	0.26
388.0823364	0.04
423.4647827	0.15
437.1123047	1.01
461.2596436	0.13
479.2131348	1.10
495.1366577	0.04
497.3417358	0.63
503.2213745	4.75
504.4365234	0.86
508.9264526	0.06
509.5355225	0.10
515.2693481	0.09
521.2790527	23.09
527.5362549	0.04
537.1890869	0.30
539.1849365	8.75
551.4640503	0.04
568.9417114	0.12
581.2778931	15.60
582.2798462	0.07
597.2304077	0.04
603.3842163	1.43
604.3689575	0.11
607.5117798	0.13
612.3184814	0.53
625.3595581	13.58
633.5015259	2.50
641.4124146	0.08
643.4272461	0.61
648.7389526	0.04
667.2659912	100.00
667.9333496	0.19
675.9320068	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
93.02183533	0.26
95.00084686	0.39
99.17704773	0.28
100.6865234	0.73
101.8952026	0.32
109.0339966	1.08
111.1293182	0.14
114.7144775	0.50
117.1993103	0.15
120.7141724	0.92
122.0762634	0.21
123.1720428	0.89
124.0324402	0.56
125.0100708	1.26
127.0526962	0.39
129.137085	0.70
131.1815186	0.17
133.2063141	0.51
135.1111145	3.17
137.1113281	0.39
139.0845337	0.58
143.0470428	2.66
145.0594177	0.90
147.059845	0.54
148.0675049	0.54
149.1802368	0.63
151.1871796	1.84
153.090744	0.59
155.0718384	2.62
157.045105	0.14
161.1683502	0.89
162.3515167	0.22
163.0706329	0.24
169.1565552	0.59
170.9892578	1.18
173.0092773	0.29
175.2638245	0.53
176.7347717	0.45
181.07901	0.99
183.0008545	0.79
184.2786865	0.71
185.0267334	1.66
187.0375519	0.57
189.1982422	0.24
190.2543335	0.47
191.101593	0.23
193.018219	0.23
193.9705963	0.34
195.1191559	2.86
197.2117615	2.36
200.7806091	1.26
205.098999	0.17
207.3908081	0.32
209.249115	1.91
210.0583496	0.28
211.4020386	1.33
212.1748657	1.20
213.2517395	1.03
219.0507507	0.98
222.3946838	0.50
223.5338745	0.73
225.3158569	1.01
227.1347961	0.97
229.0576172	0.35
230.7155151	0.21
231.3215942	0.93
233.2420959	1.92
234.1262817	0.45
235.36203	0.14
237.1103821	1.44
239.1468201	0.54
240.8119812	0.50
247.2310791	0.36
249.2693787	0.20
251.2452393	3.88
253.1031189	8.59
254.5131226	1.61
255.4117737	0.39
257.1843567	1.39
258.4733276	1.02
260.2866211	0.98
263.2087708	0.50
265.2903442	7.06
266.1192932	1.14
267.0089722	1.89
269.1739502	2.08
270.1330566	1.34
275.2730103	16.10
278.4818726	0.37
279.2721558	0.25
283.2451172	3.96
284.3108521	0.17
287.8415527	0.33
288.5600586	0.25
290.7025146	0.76
293.2025757	100.00
294.309845	0.38
296.3522949	1.33
301.0568848	0.18
302.055542	1.40
302.848999	0.59
310.3515015	0.40
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
196.7924042	0.09
206.9134216	11.59
246.1771545	0.03
266.1764526	0.09
290.7850952	100.00
322.8672180	0.07
345.7537537	0.05
347.2608948	0.06
348.0550842	0.06
353.4280396	0.10
373.1246948	0.10
374.7178345	23.51
375.6161194	0.02
389.9652405	0.16
390.9293518	0.07
401.0196533	0.03
402.8565063	0.04
407.1929016	0.09
411.0930786	0.02
415.2668152	0.05
441.3891296	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	441.0336
Annotation	PD173955
Peak:m/z	Relative Intensity
143.0287476	0.32
158.7736206	0.83
192.8342285	0.11
218.8059692	0.17
232.7525635	0.14
245.0921936	0.56
274.0198059	0.99
275.1456299	0.57
279.2310181	0.78
304.9602051	0.59
335.0491943	2.36
341.1506958	1.67
342.5255432	0.09
351.1781006	0.35
365.0303345	0.53
395.0518494	100.00
396.2217712	4.65
397.151886	3.33
431.9259949	0.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	652.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
191.8977661	0.10
196.9571838	0.34
210.1126556	1.20
211.0593719	0.06
213.3113708	0.21
228.1932068	0.13
231.1445007	0.10
236.2637177	0.07
242.1226196	0.13
245.1338196	0.07
246.9233093	0.20
252.2074280	0.09
254.2092133	5.44
255.2722473	0.85
265.2358398	0.18
272.1920166	6.64
273.2747803	0.49
288.2247314	3.69
289.1357117	0.96
306.1433716	100.00
307.2260742	11.67
327.4819946	0.07
340.2815552	0.06
346.1224365	0.04
374.1951904	0.43
379.3632202	0.20
398.3956299	0.07
444.2374878	0.06
451.3519287	0.08
490.4591675	0.29
497.2255859	0.08
522.2986450	0.98
523.4091797	0.24
524.6431885	0.07
525.8928833	0.04
533.7481079	0.13
538.2588501	0.05
557.4099731	0.30
566.0844116	0.04
593.9619141	0.56
595.1383667	0.26
607.4992065	0.07
609.2858887	0.42
617.4151001	0.21
624.0169067	0.17
634.2309570	1.22
635.4061890	1.71
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
98.97505188	0.04
119.0928497	0.37
125.1806488	0.26
155.8516235	0.28
165.1246948	0.27
169.9831085	3.75
170.906601	0.36
183.0072632	100.00
184.0739594	6.37
184.9934845	0.06
196.1336212	0.04
197.1017151	4.42
198.1208191	3.40
199.3838196	0.14
210.1196289	0.07
211.029541	1.67
212.1578979	1.57
213.0699768	0.42
217.4497986	0.07
225.3121948	2.21
226.1169434	1.43
227.1266479	0.23
237.2228699	0.19
239.3039551	4.09
240.1859436	1.33
241.3835144	0.09
243.2180176	0.12
247.2359009	5.42
249.2545776	1.03
251.3111572	0.17
253.4036865	1.02
254.2813721	0.77
255.2030029	0.11
265.1014404	0.16
267.3537903	0.49
268.1770935	0.52
275.2044067	0.25
281.3563843	0.24
283.2285156	0.26
284.2023315	0.15
290.0762329	0.15
293.2949524	2.41
311.3133545	10.33
312.2870178	1.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	636.19
Annotation	Unknow
Peak:m/z	Relative Intensity
185.0073547	0.04
221.3175049	0.05
233.1138916	0.04
250.4641876	0.06
260.0833740	0.03
280.6828918	0.04
293.0139160	0.15
321.6090393	0.02
323.2613525	0.16
341.1060791	0.30
342.0877075	0.06
383.3533936	0.48
413.0615845	0.14
443.1174927	1.07
473.5137939	0.03
499.6585083	0.07
503.2573853	100.00
504.3850098	2.25
537.3505859	0.02
538.4119873	0.05
545.5567017	0.02
561.1318970	0.07
589.3713379	0.04
591.2821655	0.02
600.0757446	0.01
618.2022095	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1103.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
660.9417725	0.03
675.3942871	0.02
747.6759644	0.01
761.5800171	0.02
902.5881348	0.06
941.7850342	0.01
946.3275146	0.03
947.6905518	0.03
950.4804688	0.03
957.5935059	0.03
967.4727783	0.16
968.1214600	0.02
982.6990967	0.12
985.4100342	0.02
997.5561523	0.02
999.4873047	2.97
1000.1047360	0.01
1009.6213380	0.11
1017.6053470	1.08
1018.5288090	0.02
1023.5529790	0.01
1027.5103760	8.19
1028.1716310	0.02
1029.6551510	0.06
1041.5878910	1.91
1043.4127200	0.01
1057.5316160	0.06
1059.4921880	100.00
1060.1846920	0.26
1071.1335450	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
95.29476929	0.94
96.79460907	0.57
98.88545227	1.16
100.9794617	0.75
108.926239	1.20
110.7984924	2.02
113.0090103	0.96
114.7754974	0.50
118.7736969	0.47
121.0483398	0.75
122.8185577	1.33
124.7898331	0.38
126.908844	1.75
130.827301	0.44
133.0500183	2.06
137.0802307	1.92
139.1904907	4.27
141.1569824	1.39
146.6119385	1.08
149.0072937	0.75
151.2600708	1.02
153.2248077	1.02
155.2282867	1.34
157.2921448	1.01
159.5757446	1.86
161.2279968	1.65
163.2973328	0.55
165.1714478	0.55
167.162323	0.47
169.0645599	2.34
171.1838989	1.48
175.0812683	1.57
179.3308411	0.52
180.8506775	1.57
183.0880585	0.36
185.4417419	1.70
189.0411682	5.24
191.0298157	0.73
197.0675354	4.44
198.3169556	0.73
209.1253662	2.13
213.1081848	0.53
215.2301331	1.05
217.1653748	0.40
219.0901489	1.16
220.3492126	0.77
221.1064758	2.43
223.3364868	0.56
224.930603	1.03
227.1191406	0.76
233.3573914	7.27
235.1380005	0.84
237.2683411	11.21
239.1286926	12.52
241.1912231	1.36
243.1988525	0.53
247.0513306	0.71
251.2091064	4.57
253.4341125	1.08
254.8111572	0.69
255.4642944	1.59
256.6689148	3.60
261.2594604	5.42
266.0343628	0.34
267.1287842	1.01
269.1248169	4.55
276.5639954	2.44
279.2228394	100.00
281.1989136	3.49
288.0866699	1.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	761.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
255.3221283	0.03
290.3362427	0.15
308.2155457	1.37
316.4632263	0.06
362.3999634	1.99
380.2705688	100.00
381.4396973	0.50
434.1091309	0.04
445.2538452	0.23
559.5174561	0.05
568.3638306	0.14
596.3948975	0.24
600.7044678	0.08
663.3706665	0.10
672.3685913	0.11
689.5806885	0.03
718.5653076	0.36
742.4487915	0.14
744.1701660	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	407.172
Annotation	Vernoflexuoside
Peak:m/z	Relative Intensity
116.0060425	0.53
128.2384338	0.23
129.1328583	0.07
135.9480286	0.30
136.9648438	0.15
141.9217224	0.97
144.1813507	0.18
158.9917603	1.82
161.0386963	0.17
162.9804840	0.08
164.0995789	0.06
166.2631226	0.20
170.9844360	0.11
173.0233459	0.44
181.1677551	0.19
186.2471619	0.15
194.9804382	0.06
199.0289001	0.87
200.8690186	0.12
203.0744781	100.00
212.1214905	0.23
214.8265991	0.07
227.2509460	0.06
237.2016602	0.24
245.2103271	0.86
258.2148438	0.08
259.1370544	1.64
262.8037415	0.11
275.2928467	0.27
276.2069702	0.07
283.1433105	0.15
285.1761475	0.44
287.0786133	0.08
289.1395874	0.30
290.3385010	0.07
296.5473633	0.18
298.7615051	0.13
299.6394348	0.14
306.2390137	0.07
309.1754761	0.24
313.2104187	0.05
317.0069275	0.14
320.2358093	0.25
328.1692505	0.18
333.1766663	0.21
343.1020203	0.08
345.2688599	0.08
347.0990601	0.16
349.9928589	0.32
361.2129211	1.74
363.1869812	0.13
364.3832092	0.06
365.5317688	0.11
374.0582886	0.07
379.0463867	0.09
387.3677063	0.15
388.3156128	0.13
389.2427063	0.99
391.1746826	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	666.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
204.1072845	1.10
206.1887360	0.07
210.0490417	0.11
216.1402588	0.06
222.3052368	0.33
224.3903351	0.16
247.0408325	0.14
252.3700867	0.23
254.9436951	0.27
258.1511536	0.88
270.1726379	0.39
271.0878601	0.26
283.1438599	0.27
288.1961060	5.84
306.2393799	12.43
306.9344482	0.09
313.2987366	0.39
324.1941528	44.54
329.3474121	0.11
342.2410278	4.62
348.3605957	0.10
360.5905151	0.12
365.9987183	0.22
384.1997681	0.47
390.2977295	0.10
408.3112183	0.21
420.2451782	0.83
432.5044556	0.26
450.3309937	4.16
468.2757568	9.51
486.2491455	100.00
486.8719482	0.94
504.3016968	12.18
518.9442749	0.11
550.1583252	0.34
551.3104858	0.18
552.1301880	0.23
553.0499878	0.26
569.1914062	0.08
570.1036987	0.20
620.2287598	0.38
621.3922729	0.25
630.4257202	0.35
631.9951782	0.40
648.4325562	0.24
674.6952515	0.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
125.9469757	4.94
153.9864349	2.89
168.0142365	8.91
169.0764618	4.35
182.0726624	28.67
188.0650177	9.70
199.1930389	8.00
200.1085968	4.49
203.0435944	5.80
212.2183075	14.27
225.2223663	100.00
226.2960358	12.27
227.1954193	2.60
228.1701965	43.56
235.9667511	4.43
244.0410919	11.96
245.2650299	3.79
253.2411041	41.70
254.3505707	15.54
255.2146149	5.61
256.1392822	3.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1015.37
Annotation	Unknow
Peak:m/z	Relative Intensity
488.4801636	0.11
529.2485352	0.06
535.7967529	0.10
571.5830078	0.28
579.1975098	0.08
597.3645630	0.59
615.5224609	1.26
641.3568115	1.71
647.5548096	0.28
659.4870605	0.36
672.1607666	0.11
673.3883667	0.39
695.3802490	0.61
724.2268066	0.07
761.5708008	0.14
791.4281006	0.10
835.6665039	0.18
853.6752930	0.08
863.5598145	0.12
879.7735596	0.34
903.3559570	0.48
923.5394287	0.32
928.3808594	0.06
935.4702148	0.09
937.8895264	0.26
939.7183838	0.59
942.3747559	0.07
947.6459961	0.13
953.2889404	0.13
965.5861816	1.67
971.7310791	0.52
977.1215820	0.22
978.4824219	0.07
979.4782715	0.06
983.5827637	100.00
997.6103516	0.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	355.11
Annotation	Gliovictin
Peak:m/z	Relative Intensity
103.0697861	0.02
115.1320190	0.02
117.1753845	0.03
126.9988327	0.01
127.9167786	0.02
133.3771515	0.01
140.2631378	0.01
145.1195068	0.02
174.1235199	0.03
174.9286957	0.03
177.1383057	0.02
182.0835876	0.01
186.3288574	0.02
192.1161041	0.14
193.2008362	0.04
195.2515869	0.01
200.8541260	0.09
203.1402130	0.02
217.3860474	0.02
221.0483093	4.24
222.2042847	0.01
225.0185852	0.01
227.0646057	0.02
229.3370361	0.07
239.3381348	0.16
243.1276245	0.04
251.4953003	0.03
253.0062561	0.08
261.1499634	0.03
262.1763306	0.01
263.1780701	0.02
264.6029358	0.08
273.3206787	0.02
274.3280640	0.05
277.2011414	0.07
278.1526184	0.12
278.7816772	0.06
280.1956482	0.02
281.4164429	0.06
282.3441467	0.02
284.4920959	0.02
286.9499817	0.05
287.6394043	0.03
288.4742737	0.02
291.2342224	0.01
293.0774536	0.09
294.2938232	0.10
295.4384766	0.03
297.2974243	0.03
298.5030212	0.06
301.1120300	0.18
307.5690308	0.03
308.4579468	0.10
309.3193359	0.09
311.1913757	0.10
314.0513916	0.17
319.1735840	1.41
323.1545410	0.06
324.6760254	0.03
325.3013916	0.09
327.2377930	0.28
331.6056824	0.02
333.7951355	0.05
337.1663513	100.00
337.7989807	0.47
345.5716248	0.14
355.3115234	0.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	532.8749
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0460358	0.18
175.0626678	0.84
186.9575500	0.03
199.2153473	0.02
215.1649017	0.09
216.8605499	0.02
228.9334412	0.10
231.1929016	0.02
245.0976562	0.43
273.0106201	1.64
274.2008667	0.03
275.1278076	0.03
287.8743896	0.01
289.0140381	13.90
301.1627197	0.01
304.9928894	4.85
384.9110107	0.02
387.0279541	1.02
388.1061401	0.05
388.9980469	0.05
403.0748291	8.53
417.2446899	0.14
418.9027710	100.00
419.5293579	0.37
429.0265503	0.03
436.7413940	0.01
439.9119263	0.03
442.3354492	0.10
443.1160889	0.03
443.9855347	0.03
445.0048828	0.03
449.3836060	0.04
458.0666504	0.07
459.0958252	0.18
459.8624878	0.05
461.1359863	0.09
475.0470581	0.03
476.1671753	0.02
477.0039673	0.03
486.0218506	0.06
487.0191040	0.85
488.1473999	0.06
504.6176758	0.15
506.2891235	0.03
508.1373291	0.04
515.1549072	0.06
523.9601440	0.02
531.9811401	0.03
540.9276733	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	202.07
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
70.0241928	1.39
70.9723587	2.32
72.0357056	0.54
86.0288391	3.32
86.9510956	66.80
87.9339905	15.53
97.1048889	0.52
113.9170380	98.14
114.9391479	25.43
115.9064484	0.13
131.9736328	4.73
140.0660706	8.34
158.0840912	100.00
184.0816803	94.94
184.9991608	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	514.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
154.0712891	0.88
172.0870667	100.00
294.3272095	0.15
308.1485596	0.17
322.8745728	0.18
341.2647095	7.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	736.136
Annotation	Unknow
Peak:m/z	Relative Intensity
213.0758514	0.06
214.2023621	0.21
214.9995270	0.10
226.2126923	0.09
231.3542786	0.13
232.1911316	0.17
272.3646240	0.08
273.4728699	0.30
274.1640015	1.52
274.9819946	0.07
292.2961731	0.06
304.1314697	0.32
328.2181396	0.10
332.7920532	0.14
334.1871338	0.20
334.9711914	0.07
352.0654907	0.05
358.3768921	0.15
375.2265625	0.49
376.0515747	0.55
392.2518921	0.25
393.3236694	0.29
394.1323242	2.60
395.2460327	2.33
412.1417847	2.83
436.4650269	0.06
452.2142334	1.18
454.1981201	100.00
464.1759644	0.07
466.1984863	1.86
468.1500854	0.16
484.2041016	1.84
496.2605591	0.71
508.2014160	1.18
514.2310181	3.26
520.5993042	0.06
538.1317749	0.57
543.1039429	0.31
554.3574829	0.26
556.1976929	24.54
557.0248413	0.30
572.5280762	0.65
574.2000732	62.01
574.8434448	0.11
603.4124756	0.53
616.6148682	0.12
639.2479858	0.08
646.6373901	0.39
675.4867554	0.80
676.2755127	0.21
686.7510376	0.09
697.3468628	0.26
703.4524536	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	752.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
218.2441711	0.35
220.2811279	4.20
229.1058350	0.15
236.1961060	0.54
238.1402435	5.81
239.2299042	0.34
256.2122803	100.00
257.2882080	11.79
270.6535645	0.36
399.0327759	0.09
442.3786621	0.33
458.3191528	0.15
460.3888550	0.83
502.5188599	0.41
504.6785889	2.40
505.5453491	0.26
546.6195679	0.19
591.4788208	0.12
602.3962402	0.34
622.4368896	0.39
623.7197876	0.38
633.2202148	0.12
648.3914185	0.17
664.5031128	5.38
665.7001343	2.45
666.4544067	11.31
667.4731445	2.09
690.3807983	0.31
691.4763794	0.27
708.5075684	43.32
709.6264648	8.67
734.3860474	5.78
735.4596558	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1086
Annotation	Galactinol
Peak:m/z	Relative Intensity
100.9133224	11.76
112.9123611	20.42
115.0841599	0.75
118.8941498	15.11
124.9894791	4.26
130.8657227	6.76
135.194397	0.44
139.0861511	1.33
143.0066071	15.37
148.8672791	4.91
155.2157288	0.35
161.0376282	26.38
162.8492126	0.23
168.125061	0.37
178.4250183	8.43
179.050293	100.00
185.0983124	0.26
206.331955	0.35
209.0385132	0.69
221.0377808	2.56
233.2773132	0.32
237.250824	1.10
238.1980286	0.75
244.1342468	0.58
249.1925049	0.28
250.1923523	0.32
256.9586182	1.28
265.3198853	0.56
267.1502991	0.26
279.0574036	0.82
280.9937134	1.80
295.039917	11.81
296.2609863	1.59
297.4727478	3.41
298.256897	0.65
305.252655	2.27
311.2437134	5.42
314.0132446	3.89
323.204834	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2833
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
111.0307083	1.56
115.0354004	2.92
120.8847504	0.92
122.172966	1.61
123.0573502	3.05
133.0830688	4.98
138.9444275	2.45
141.2000732	1.60
141.8911285	0.93
145.0644836	1.56
149.0202942	100.00
150.0136414	33.84
153.1461639	5.13
165.1122742	0.52
166.927887	20.09
168.0275269	8.38
171.1322021	2.29
174.8965759	3.28
183.0447388	5.03
197.0515442	2.56
198.4131775	1.48
199.0585022	3.25
204.0804443	0.92
207.4676666	2.32
217.0295868	0.68
220.4754486	1.45
221.1143188	2.00
223.180542	3.38
227.1529846	3.43
230.3583069	1.08
233.0438538	2.88
239.105957	3.13
246.6053772	1.21
247.3483276	2.65
251.0907593	6.48
255.12323	5.95
256.1219482	4.08
257.0732422	2.92
260.1467285	5.38
260.8670654	9.31
261.5321045	1.56
265.7971802	6.58
271.2214966	4.88
273.2835999	0.84
275.1368408	2.28
279.2375488	16.57
280.0007629	37.29
280.7120361	1.41
285.4359436	1.29
288.2307129	3.22
292.0682678	1.47
295.3920898	5.92
298.3655701	1.24
299.3740234	1.40
302.254364	3.48
304.0877686	0.76
309.2191772	0.85
311.4595642	4.11
313.9755859	1.18
315.1099854	5.47
316.1332397	0.92
320.4381714	1.48
325.1100159	5.16
326.980011	3.03
329.4706421	1.08
332.0753784	1.62
334.3933105	3.08
338.9508972	1.84
342.4022217	2.30
343.2533569	7.97
346.1019287	0.92
347.1182861	6.86
348.2719421	1.53
349.3535156	1.60
350.6702881	1.73
351.4388428	4.89
353.2104797	6.41
356.5324097	10.30
357.2408142	11.31
361.221344	8.68
362.1376648	4.20
365.150116	1.64
365.8919983	2.56
374.1286316	39.32
375.1828918	14.09
376.9555969	0.92
382.822876	8.09
383.4668579	4.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.242
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
84.94995117	0.08
93.07180786	0.09
95.01241302	0.53
96.93824768	1.58
103.0628586	0.10
106.9762573	0.41
109.0345688	2.27
111.1404953	0.42
112.2017212	0.11
112.8640976	0.47
119.0632172	0.13
121.1025085	0.82
123.1065521	2.11
125.0180283	0.87
126.9628906	1.10
129.2209167	0.36
133.1438293	0.16
134.9709167	1.14
137.037262	0.42
139.0751343	5.08
141.0297089	0.50
145.216629	0.07
146.0520935	0.09
147.1775208	0.16
149.0186768	0.50
151.1271667	0.10
152.9951782	1.45
157.0495605	0.69
159.2553101	0.48
161.166687	0.41
163.0608826	0.42
164.047348	0.07
165.2687378	0.15
166.4049988	0.29
167.0778961	0.45
169.0785217	1.45
171.0820923	0.99
177.0734863	0.12
179.0185394	0.61
181.2995758	0.38
183.1417084	0.60
185.2696533	0.27
187.20401	0.46
189.1588135	0.48
190.924469	0.12
193.1684265	0.36
195.237793	1.40
197.0430298	3.84
199.1864624	0.30
201.1362915	0.37
203.2714844	1.15
205.0255432	0.21
207.2393188	0.20
209.2438354	1.15
211.2657166	1.22
213.0003967	0.43
214.7774963	0.16
216.9178772	0.06
219.4536438	0.40
221.2563782	3.18
223.2275696	1.18
225.1999817	0.27
227.1498413	0.81
233.399292	1.07
235.3348083	0.43
236.7617798	0.88
237.3833618	2.53
239.2408752	11.79
241.3359985	0.16
243.4895935	0.95
249.3265381	0.05
251.164856	2.02
253.2215271	0.95
254.7074585	0.22
255.3204956	1.79
257.281189	0.26
258.9994812	0.14
261.3238525	3.80
279.2313232	100.00
280.183197	0.49
281.2256775	0.18
287.6880493	0.43
288.4010925	0.36
295.293335	0.21
305.4070129	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1091.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
321.1709290	0.30
326.9698792	0.25
345.2005615	0.45
363.0651550	0.19
387.1698608	0.85
405.2089844	0.77
406.3816833	0.35
465.2895813	0.13
479.2668457	0.05
485.2455750	0.11
509.3183594	0.30
521.2038574	0.30
545.1972656	0.93
546.5605469	0.04
551.5715332	0.15
569.5573730	0.54
580.9345093	0.36
582.1240234	0.12
589.5767822	0.06
604.8282471	0.74
605.5047607	0.12
610.7503662	0.11
623.3580322	2.00
624.5760498	0.32
629.0590820	0.12
650.6242065	0.04
665.4407349	0.21
667.6253662	0.38
684.7602539	0.04
685.4154053	0.15
709.3043213	11.30
710.2011108	1.57
727.3255005	41.15
728.4940186	4.95
751.2808838	0.93
752.2263184	0.27
769.2899780	1.71
770.2985840	0.30
787.3538818	0.67
788.3540039	0.12
797.7628174	0.11
808.4953613	0.10
811.3348389	0.07
815.8912354	0.15
825.2272949	0.19
829.5047607	0.27
830.2287598	0.16
837.6999512	0.06
843.5426025	0.63
844.6087646	0.15
851.6071777	0.03
854.4670410	0.05
857.1009521	0.10
867.1292725	0.15
867.7354736	0.12
871.1489258	0.08
883.2934570	0.55
885.2016602	0.53
901.5438232	0.05
903.2205811	0.04
904.3537598	0.39
915.3242188	1.10
916.2487793	0.26
919.8139648	0.03
921.6816406	0.14
925.8206787	0.40
927.3923340	9.59
928.5466309	2.43
929.3853760	0.06
933.3063965	2.25
934.2467041	0.38
943.1800537	0.10
945.2866211	11.49
946.3409424	1.90
956.7415771	0.07
957.5179443	0.10
961.2587891	0.05
969.0668945	0.04
970.7653809	0.09
975.5046387	0.29
986.7916260	0.37
987.4370117	9.71
988.4252930	1.56
1010.0529790	0.68
1011.4561770	0.32
1012.5043950	0.19
1013.6258540	0.40
1017.5368650	0.06
1019.5080570	0.10
1029.5753170	0.84
1031.4481200	1.33
1032.5383300	0.08
1040.5278320	0.15
1047.1446530	0.07
1049.4477540	1.63
1050.4580080	0.78
1055.5209960	0.05
1073.3605960	100.00
1074.3698730	17.91
1075.0112300	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	501.92
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9018402	3.33
159.9811401	0.49
199.1567688	0.77
200.1784973	0.12
217.1939087	0.26
229.0358276	1.31
230.0612183	0.12
245.1414795	0.19
272.9856567	58.22
274.0874329	14.81
385.6921082	0.09
387.0259094	100.00
388.0477600	52.80
428.2181702	0.05
456.3037415	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	370.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
132.5848541	0.06
141.9138184	0.02
145.0339355	0.15
147.0876312	0.04
152.2185364	0.03
155.0321045	0.04
157.0918274	0.07
163.0194092	0.10
177.9999847	0.02
195.3556061	0.06
205.1968842	0.07
208.1173096	0.13
238.2023621	0.06
239.2655640	0.18
240.3277893	0.04
243.8777771	0.01
253.1556091	0.10
255.2423706	0.45
256.4608765	0.52
270.3211670	0.02
271.1359558	0.03
273.5611572	0.09
279.9449463	0.73
280.5669861	0.10
281.8646851	0.03
283.2841187	0.06
284.1799927	0.02
289.0116272	2.01
289.7057495	0.04
290.8125916	0.04
291.4708252	0.04
292.5755920	0.04
296.4898682	0.09
309.4279480	0.04
310.4056091	0.07
311.3413696	0.07
313.1721497	0.02
313.8655090	0.02
324.1542969	0.22
325.2013245	0.10
326.3977661	0.11
328.0524902	0.43
329.2493286	0.16
330.3587646	0.05
335.3560791	0.44
336.5783997	0.05
340.0010681	0.04
342.4619751	0.06
347.0555420	0.04
350.1825256	0.09
350.8951111	0.04
353.3125610	100.00
353.9388428	0.26
354.9325256	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1086
Annotation	Galactinol
Peak:m/z	Relative Intensity
97.01547241	0.52
100.955864	9.74
113.0244293	19.88
114.9050217	0.80
118.9822845	19.04
125.0452118	2.06
130.9894409	7.12
142.9969177	18.27
148.8358154	4.85
152.7450256	0.13
160.9332581	25.33
176.9821472	0.10
179.0513611	100.00
193.15271	0.38
195.9579773	0.64
205.2394714	0.25
207.0899963	0.22
217.2660828	0.12
219.3417358	0.75
221.0971069	0.62
224.2601624	0.70
233.2062683	0.31
237.1343079	0.89
249.971405	0.14
261.3311462	0.57
264.2530518	0.18
267.1423035	0.67
280.522522	0.76
281.1921387	0.44
285.132843	0.65
294.3595886	1.49
295.2791443	5.53
296.7606812	0.21
297.3616333	0.99
304.9921875	0.85
310.0897522	0.57
311.3444519	1.30
312.8434143	0.25
322.6933899	1.93
323.3755493	0.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	722.57
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9681244	0.03
208.6694031	0.01
212.9135742	0.11
225.0998840	0.02
234.2332458	0.03
255.0006714	0.06
264.9003906	0.03
290.8799133	0.36
293.0157471	0.21
294.9282227	0.03
296.6188660	0.02
311.0490723	0.05
319.0740967	0.02
335.0238037	0.03
342.0029297	0.05
351.1680298	0.02
352.1677856	0.02
360.0549316	0.23
361.3256226	0.07
372.9077148	0.02
380.8423462	0.04
383.0810547	0.36
384.2431030	0.03
386.9976196	0.02
388.8706055	0.13
399.2622681	0.05
400.0526733	0.03
401.2917480	0.14
402.9448853	0.03
406.9442749	0.06
407.9673462	0.07
441.3083496	0.01
458.1327515	0.02
464.8815308	0.02
467.6071777	0.05
468.6917725	0.09
470.9395752	0.24
476.9472656	0.07
478.3426514	0.07
479.1605835	0.03
496.0673218	0.38
497.0347900	0.10
501.0404053	0.14
514.0463257	0.03
519.0183105	0.70
520.1717529	0.06
528.9741211	0.30
544.8338013	0.19
545.7910767	0.05
546.7332153	1.59
547.8745728	0.29
548.8977051	2.01
549.8441162	0.07
551.7031860	0.01
552.7755737	0.09
554.6628418	10.32
555.5118408	0.01
559.5526733	0.07
560.8794556	0.07
562.8136597	0.15
563.8225708	0.03
564.7598877	0.29
566.8791504	0.44
572.0156860	0.19
584.0849609	0.04
586.6822510	0.08
591.7838745	0.11
595.7673340	0.10
596.8899536	0.20
601.0545044	0.02
602.7018433	0.07
610.1660156	0.89
611.1680298	0.02
615.9871826	0.08
617.9061890	0.02
624.1411743	0.08
634.8582764	0.25
636.0577393	0.29
636.7620239	0.70
638.6249390	100.00
639.6560669	0.13
641.3706665	0.12
644.5945435	0.06
647.0056152	0.09
653.7266235	0.10
657.3383179	0.06
658.3142700	0.01
662.8250122	0.04
669.1033936	0.12
675.5579224	0.02
677.3140259	0.03
679.1076660	2.18
679.7514038	8.43
680.6987915	7.56
681.4733887	0.05
683.5266113	0.19
684.3286743	0.07
685.9215088	0.07
686.9690552	0.07
687.8367920	0.16
688.7276001	0.01
691.8156738	0.09
692.5354004	0.10
697.0903320	0.03
697.8796997	0.03
699.1123657	0.96
699.7716064	0.03
701.7053833	0.04
704.3189697	0.05
705.5386963	0.03
721.7755127	0.03
722.7498169	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
88.91648865	0.23
90.86221313	0.43
92.73244476	0.80
94.94852448	0.72
96.9240799	0.55
99.02780151	0.41
100.9415207	0.11
104.957077	0.32
107.012413	0.23
109.0470581	0.98
110.0254288	0.29
112.959137	0.93
116.9111633	0.47
123.1813126	0.54
127.0534973	1.20
128.9262085	0.21
132.993988	0.75
134.9809723	0.21
136.847702	0.72
139.1575928	1.64
140.0611877	0.40
140.9624634	0.29
143.0759277	2.33
145.181839	0.19
149.2324829	0.33
150.943161	1.68
152.9928894	0.86
154.9786987	2.03
157.0733337	1.48
158.9406128	0.47
161.1170044	0.35
163.1398621	0.62
165.2324219	0.64
167.0402222	2.41
168.0547791	0.48
169.1388855	0.93
170.2958679	0.14
171.1174927	0.48
174.9920044	0.39
176.2885437	0.71
177.0810547	1.16
178.8322754	0.62
180.0947113	0.13
181.0609589	0.52
181.9659119	0.74
183.0807037	4.73
184.924881	1.15
187.2793427	0.15
189.1309967	0.66
193.2709198	0.74
195.2680664	1.95
197.1419373	3.05
197.9958801	0.21
201.3598328	1.04
203.1778259	0.40
205.2164917	0.48
208.9927063	1.41
209.9530945	0.36
211.1575012	2.51
212.3240967	1.62
213.2605591	1.83
215.4177246	1.53
219.2110901	0.81
221.3816833	0.80
222.200531	0.27
223.2711182	0.99
225.0888367	0.56
226.3655396	1.32
227.0820312	0.87
229.3019104	0.21
230.1886597	1.53
231.2043457	0.39
233.3626709	1.12
235.0828247	1.42
237.1133423	2.20
239.2965088	3.09
240.8138123	1.44
242.0291443	0.17
245.1018982	0.68
247.1995239	3.29
249.2329102	1.46
251.2147827	2.78
253.2598267	5.01
254.2781372	0.59
257.3643494	1.88
265.2477417	4.04
267.1556702	1.31
268.3731689	1.78
269.2896729	0.80
269.9915771	2.25
274.0565796	0.39
275.2856445	9.42
276.2817383	0.61
277.3570557	1.55
279.3120117	2.15
283.2458191	6.42
284.2745361	0.67
289.911377	0.28
291.095459	0.46
293.2099915	100.00
294.1586914	1.16
297.1282959	0.61
302.517395	2.10
309.7864075	0.29
311.3707275	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
100.7989578	0.05
107.993187	0.63
113.1064606	0.03
118.8587723	0.16
123.0228577	1.59
124.0752792	0.10
124.960556	0.08
127.8175278	0.10
128.8442078	0.05
152.0300293	2.83
157.140564	0.15
167.0352478	100.00
181.9161987	0.07
196.0652466	0.19
201.2805176	0.09
209.0145569	0.46
214.96875	0.06
227.0227966	0.04
229.2436523	0.42
233.0031128	0.33
234.2622681	0.07
235.0533447	0.40
237.2242126	0.09
239.2099304	0.11
242.7637329	0.28
247.0355835	0.49
248.9487	0.36
267.1547852	0.48
269.178894	0.06
271.3031616	0.06
283.2079468	1.53
284.3514404	0.32
285.188385	1.96
286.340332	0.07
287.2821655	0.13
291.124176	1.75
293.0045776	1.29
310.1715393	0.11
311.1174927	0.97
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	238.1795
Annotation	Dehydrocarpaine II
Peak:m/z	Relative Intensity
68.9298248	0.06
69.9991989	0.16
76.8578949	0.06
78.9475555	0.29
80.0377884	0.16
80.9651184	0.40
82.0700150	0.31
83.0022888	0.08
84.0063171	0.51
86.1074524	0.08
87.9814148	0.51
90.9535065	0.21
92.0611877	0.04
93.0258942	0.33
93.9328919	0.96
94.9095841	0.51
95.9758301	2.06
96.9341888	0.63
98.0335693	0.18
101.1851501	0.03
104.9853363	0.54
107.0198975	0.72
108.0394440	2.95
108.9243317	0.67
109.9194641	0.78
111.0938416	0.14
112.0442200	0.08
116.2774353	0.06
118.9961548	0.53
120.0358734	0.35
121.0236359	0.41
122.0691833	0.72
123.0410309	0.51
124.0616913	0.27
124.9732819	0.28
126.0452576	0.10
128.8740845	0.30
131.0190582	0.12
132.0299530	0.29
132.9749298	0.40
134.0839386	0.13
135.0352936	0.70
136.0746002	0.70
137.0466919	0.18
137.9294434	0.48
140.2187805	0.04
142.9083099	0.68
143.9679108	0.08
145.0589142	1.04
146.3287811	0.13
147.0774841	0.18
148.1038055	0.28
148.9787292	0.19
151.0881805	0.08
152.0620880	1.45
152.9772186	0.24
155.8982086	0.09
157.1376038	0.41
157.9955902	0.04
159.4625702	0.30
160.2079773	0.26
161.2371063	0.58
162.2884979	0.54
163.0858002	0.59
164.0697784	0.16
168.2343597	0.03
169.9327698	0.08
174.1040649	0.19
175.1036987	0.24
176.1849518	0.05
178.1335297	0.58
179.3181000	0.54
180.2916107	0.25
182.1149445	0.05
183.1305389	0.05
185.2004089	1.14
186.6452789	0.25
190.3216248	0.04
191.0493317	0.04
192.2097321	3.92
193.3193207	0.58
196.9551239	0.22
197.8246765	0.15
200.2243500	0.08
202.1522064	7.81
203.2653046	1.10
205.0981293	0.10
210.0396271	0.92
211.0443726	0.09
215.3311768	0.47
216.0144806	0.04
218.1088715	4.86
220.1251984	100.00
221.2257233	10.55
222.1322174	0.10
224.2761536	0.41
228.3020630	0.56
229.3268433	72.97
230.5121918	0.16
237.6526947	0.05
238.3038177	1.65
239.3671417	0.19
240.2454681	0.06
254.3308868	0.03
256.1607056	1.70
257.3197632	0.25
264.1239319	0.09
278.4207153	0.18
284.1635742	0.08
298.4575806	0.14
305.5199280	0.04
320.5636902	0.10
362.5951233	0.13
366.4873047	0.40
367.5471497	0.20
380.4638367	2.06
381.4013367	0.45
390.6111755	0.07
394.4623108	0.14
404.0809021	0.04
407.4582825	3.53
408.5404968	0.32
420.6421204	0.06
458.8714905	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1088
Annotation	Lactulose
Peak:m/z	Relative Intensity
96.7982254	0.18
99.1415100	0.64
100.9232788	6.61
106.7824707	0.72
113.0189667	17.34
114.9117279	0.33
117.0789490	0.07
118.9426956	13.59
124.9836884	2.30
130.9700928	7.50
142.9813385	16.65
146.9332275	0.04
148.9967346	2.29
154.9313812	0.11
159.2346191	0.27
160.9908447	21.14
178.9714661	100.00
190.7127075	0.14
209.1594849	0.09
220.7495728	0.30
243.0364075	0.08
245.1455383	0.20
251.0583496	0.19
281.0127563	2.48
295.0074463	0.10
297.4248352	0.15
322.5010071	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	452.28
Annotation	Epoxycytochalasin J
Peak:m/z	Relative Intensity
138.0295715	0.60
174.9318237	0.82
186.1820679	0.35
212.4222717	0.84
213.8294678	0.72
232.9362946	0.42
237.3725739	0.86
249.1795044	0.67
267.2081604	0.52
270.4145508	0.40
272.3213196	0.54
277.3728638	0.81
280.3878784	2.48
284.0959473	0.64
289.9494019	1.10
293.09552	0.49
296.3747559	0.80
297.2890015	0.23
299.6504517	1.16
304.3049316	0.35
305.9965515	0.52
311.3759766	58.71
325.1328735	0.44
335.437561	0.51
340.2850952	0.44
351.2292175	0.45
354.3148193	1.03
377.5016174	0.32
391.4046936	4.79
392.513092	0.43
394.2833862	0.36
396.1578064	0.80
406.2969666	0.66
407.2872314	0.36
409.1659241	1.02
416.4499207	1.06
419.6531067	0.91
424.1839905	0.26
434.2785034	100.00
434.9634705	1.11
435.59729	1.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	588.9
Annotation	Unknow
Peak:m/z	Relative Intensity
175.0525970	0.06
199.2972870	0.07
202.2051544	0.04
207.3684998	0.23
246.0127258	0.08
246.9429321	0.21
273.0690002	4.08
274.1248169	0.28
275.0781555	0.40
276.0545349	0.05
289.1433716	0.35
341.0251465	0.04
359.1889648	0.06
360.7490234	0.20
361.4362793	0.10
387.1652222	0.65
388.1456299	0.34
388.8974609	0.06
390.2234497	0.06
427.1571655	1.72
428.1909180	1.39
429.1525879	2.73
443.1116333	0.30
444.1573486	0.09
455.7970581	0.12
473.0179443	2.14
474.0789795	1.27
475.0969238	4.49
487.2421265	0.09
499.6955566	0.19
501.0416260	0.21
502.5090942	0.35
503.3087769	0.47
504.8530884	0.12
514.5620117	0.12
515.3600464	0.13
520.2563477	0.11
521.4216919	0.09
532.9116821	0.09
541.9728394	74.69
542.8962402	100.00
543.8010864	0.17
544.8272095	0.24
548.7769775	0.12
549.8981934	0.14
560.3640747	0.51
561.0936890	3.49
561.8511963	0.09
570.9912720	0.08
579.8293457	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2833
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
112.2626343	0.60
113.1321945	2.20
117.0386429	0.75
121.2180939	1.83
123.0215454	1.83
125.0424271	3.60
126.1257477	1.81
126.9943542	1.86
133.0513611	2.53
136.9251556	4.27
140.0695038	0.89
141.6641846	1.71
143.0649567	2.91
144.999176	4.08
146.9887695	7.26
149.0237122	100.00
149.9897461	25.15
153.1981812	3.76
155.1760864	3.94
157.1516418	1.47
164.9284668	3.77
166.9932556	23.26
167.9136047	16.96
169.0456238	2.96
171.0016479	2.95
172.5372314	3.11
175.2514648	1.11
178.9578552	2.69
180.1033783	1.40
181.0829926	1.26
183.2518616	1.70
184.7825623	0.82
192.0560608	2.12
199.027771	7.14
201.3241577	0.68
205.0454712	2.03
206.1999664	1.54
206.9169006	1.99
208.9547577	1.24
211.2158203	1.60
212.0757904	2.32
213.1390991	0.96
219.3021851	3.11
221.1728973	2.42
226.964447	1.17
229.4536438	0.96
233.3743896	6.61
238.339325	3.84
241.612854	3.25
244.8682251	1.78
245.4813538	0.82
246.2163696	0.82
248.2931519	5.83
251.0740051	1.94
251.9644775	1.31
256.7557068	0.82
258.9149475	2.35
260.6974182	13.95
261.6348572	11.04
266.2258301	1.96
279.2466431	28.62
280.0960083	19.55
281.1873169	3.15
287.8500977	1.25
293.53479	8.84
295.4357605	0.75
298.0298462	2.11
299.2658691	2.82
305.5759277	2.33
307.2809143	3.62
310.4352417	4.60
311.3323975	1.62
315.1355591	3.36
317.8920898	1.04
320.240448	3.62
323.5562744	1.04
325.2286072	11.80
328.3796387	3.96
329.2537842	8.20
332.2806702	3.75
333.1166077	2.74
334.1280518	4.01
335.5852051	1.68
339.085022	5.40
341.6674805	3.49
343.1286621	14.31
346.2049561	4.48
347.24646	5.42
349.3302612	2.75
351.4564514	5.16
356.1164246	5.73
357.1752014	5.34
360.4701233	0.75
361.5181885	5.05
363.3483582	3.12
365.2622375	2.84
369.9257507	3.71
372.4889526	5.01
373.6167297	10.53
374.3204346	29.94
375.0288391	10.55
383.2452087	6.60
391.2931213	0.68
395.0549927	0.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2828
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
113.2403488	1.26
141.1159515	0.65
149.0188904	100.00
150.0098114	64.78
156.8461456	1.48
166.9203033	30.49
167.9465637	23.00
175.223938	2.08
198.622757	1.40
219.08255	0.65
241.3447266	1.37
255.9666138	3.21
260.289978	5.33
261.1616516	10.70
261.9008179	4.81
271.1629333	1.35
275.1944275	0.81
275.8582764	0.81
279.000946	26.25
280.0307007	32.37
289.217041	0.70
292.419342	1.13
303.0839844	2.26
306.2267456	1.07
316.3414612	1.13
318.3207092	2.36
328.6997681	3.08
332.988678	2.55
342.6461487	2.57
346.0777588	5.86
349.0574036	2.27
350.163208	0.98
351.1036682	8.30
361.1109009	0.59
361.9875183	1.31
363.8937378	2.35
372.9908447	0.65
373.989563	15.88
375.0574036	4.13
384.2329102	0.53
392.5318298	2.08
393.6758118	5.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	380.8434
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9462585	6.38
161.0308533	0.23
198.8837585	0.13
210.8644409	0.10
212.8032990	5.99
218.8253784	0.32
225.1219788	0.07
245.0090332	0.10
260.9859619	0.77
268.1744995	1.27
269.3419495	0.15
270.2001343	1.27
271.3917847	0.08
295.1335449	0.49
296.8290100	100.00
301.2301331	0.14
309.0762939	0.39
324.3150940	0.13
326.9747925	0.06
334.0405273	0.11
341.1850586	0.22
352.3092651	0.05
362.1786194	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	666.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
202.4415283	0.27
204.7259369	0.12
206.2416382	0.13
218.3433990	0.19
219.4038391	0.10
220.3595428	0.32
227.1975708	0.11
229.8724213	0.11
231.1270599	0.16
238.3344727	1.18
239.2417755	0.15
249.0769501	0.09
254.5264893	0.27
256.2786255	10.50
257.2839661	1.75
259.1193848	0.04
269.3588867	0.14
281.1982422	0.06
289.5573120	0.12
298.4001465	0.10
310.5213013	0.13
313.1829224	0.35
322.2027893	0.11
335.2943115	0.17
341.4840088	0.07
359.4044800	0.24
365.4138184	0.12
372.0829468	0.05
373.2351074	0.07
401.2836304	0.27
408.2849121	0.19
417.0604248	0.05
418.3598633	0.05
442.3353882	0.46
443.4703369	0.23
444.3934326	0.17
458.3131714	0.23
460.3925781	20.81
461.5336304	5.12
486.3566284	0.18
488.1475830	0.09
488.7976685	0.25
490.8768921	0.08
502.5438232	0.13
504.3781738	7.85
505.4876099	1.13
509.3692017	0.06
519.4691162	0.05
526.0868530	0.11
536.0957031	0.05
537.3507690	0.12
538.5463257	0.07
545.1217041	0.26
563.0923462	0.11
564.3223267	0.05
580.5737915	5.10
581.5731812	1.59
586.7388306	0.10
587.5350952	0.05
603.1343384	0.26
604.3596191	0.09
620.4862671	0.11
622.5202026	100.00
623.6209717	31.57
630.0443115	0.08
631.2720947	0.09
632.6885376	0.16
636.1344604	0.20
637.1502075	0.39
648.5127563	0.82
649.4061890	0.96
650.4229126	0.09
655.3112793	0.13
668.8467407	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	323.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
97.0033875	0.52
100.9902496	3.60
113.1166382	0.21
118.9303894	0.42
130.5798950	0.03
135.2126617	0.12
136.5287170	0.06
143.0463867	0.12
145.2894135	0.12
161.1370850	1.00
163.1192932	0.03
168.9592590	0.03
171.3205566	0.08
173.1296997	0.12
175.2113647	1.44
178.9744568	0.17
181.0364227	0.15
189.0317078	100.00
189.9222565	0.07
192.0816040	0.08
201.2579346	0.06
203.1461487	93.77
206.7917786	0.13
213.2490234	0.05
215.1676941	0.17
219.1425476	0.05
221.4960022	0.03
225.2647705	0.09
227.3795776	0.05
229.0230408	0.29
231.0685120	0.50
232.4291077	0.27
233.2287292	0.54
235.2094421	0.13
237.2272034	0.09
240.1995850	0.03
243.5784302	0.07
245.1155701	0.83
250.1717834	0.03
251.0210876	0.33
257.3902588	0.15
259.0119019	0.49
260.8823547	0.07
262.1610718	0.12
276.1749573	0.03
277.2793579	1.08
278.3573608	0.12
279.0743408	0.14
279.9576721	0.03
283.0482178	0.16
285.1317139	0.13
286.6070251	0.53
287.3361816	0.11
288.1551819	0.14
291.1788025	0.09
293.1894531	0.08
293.9770508	0.10
295.2484436	2.27
296.2829285	0.06
305.2332153	28.29
305.9844360	0.08
308.2308044	0.07
309.3296509	0.10
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
86.98126221	0.31
90.99175262	0.49
92.90438843	0.56
94.89396667	0.94
96.0949707	0.13
97.03740692	1.48
100.4303589	0.21
102.8444824	0.17
107.1651306	0.17
109.0401077	2.49
110.9281006	0.65
113.2505341	0.62
114.9259949	0.60
116.9117126	0.26
119.0431747	0.76
123.0020294	3.25
123.9966354	0.19
125.054657	1.21
125.9319763	0.17
129.0537415	0.19
130.9466858	0.14
133.1563263	1.05
135.1818848	1.24
136.9790955	2.18
139.0786743	3.55
140.9722595	0.92
143.0805664	0.63
145.0486145	0.77
149.1083984	1.28
150.8354797	0.74
153.0578918	1.59
154.9940186	0.86
157.0462952	0.10
159.0151367	0.43
161.1779633	1.87
162.8757935	0.21
165.2397614	0.61
167.0518799	0.18
169.1091003	0.47
171.1170654	0.63
173.1615295	0.56
175.1787415	0.29
177.179657	0.34
177.8871613	0.09
179.0100098	0.23
180.1453094	0.17
181.1973572	0.94
183.0514374	4.35
185.3091736	0.94
187.0678406	0.56
189.42276	0.45
191.0949707	0.19
193.0746765	0.59
194.9958801	0.42
197.1513672	4.44
199.0927429	1.03
201.1450806	0.61
203.3554382	1.10
207.2836304	0.70
209.1300659	0.75
211.0709534	0.39
213.1880188	0.63
215.177063	0.88
219.2138367	1.96
221.136322	2.14
223.2730713	0.63
225.1683655	1.79
226.3040161	0.55
227.2583008	0.94
228.8976135	0.28
233.164093	3.73
235.3750916	0.74
237.2906189	4.72
239.2438354	11.52
240.2210083	0.16
241.158844	0.12
243.2830505	1.82
248.8334351	0.26
251.3059082	2.66
253.1773071	0.32
255.2816772	2.32
256.9345398	0.79
260.4687195	0.33
261.2494507	5.06
261.9525757	0.19
268.1251221	0.49
270.3278809	0.13
276.393219	0.63
279.22229	100.00
279.9732666	0.58
281.1719666	2.39
282.8356323	0.32
285.4012756	0.19
287.9424744	1.44
288.8690186	0.28
295.4725952	0.34
296.8189697	0.27
298.9842224	0.88
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	377.09
Annotation	Lactulose
Peak:m/z	Relative Intensity
119.0620346	0.04
161.0423584	0.07
179.0587006	0.78
197.1624451	0.46
215.0950317	8.32
243.7952271	0.06
280.8661194	0.05
286.1902771	0.14
314.3737183	0.02
323.2654724	0.06
341.1783447	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	246.177
Annotation	Unknow
Peak:m/z	Relative Intensity
77.0600052	0.09
79.0464630	0.07
80.0179367	0.04
81.8911514	0.06
83.9720230	0.28
85.9813080	0.07
90.9688110	0.10
92.7951279	0.11
93.9439850	0.36
95.9290237	0.51
96.8815613	0.05
102.9471283	0.09
105.0736694	0.07
105.9273529	0.41
107.0845184	0.15
108.0872192	0.24
109.0712891	0.05
110.1655579	0.68
111.0597229	0.15
116.9095612	0.05
117.9302979	0.07
120.0015717	0.22
121.1095276	0.09
123.1831207	0.04
124.0232849	0.35
124.7850952	0.08
126.0234833	0.15
132.1036377	0.11
134.1470032	0.19
136.1614227	0.13
137.9701691	0.20
141.9249115	0.07
142.9644928	0.15
145.0427094	0.04
148.1775360	0.11
149.8324738	0.44
152.0122223	1.12
152.6695862	0.23
155.1695251	0.06
155.8427734	0.29
158.1711731	0.25
161.0071564	0.53
162.1742096	0.20
165.2437897	0.05
167.7851562	0.16
171.0255280	0.03
172.2674561	0.06
173.3395996	0.18
174.1800842	0.21
176.0959320	0.24
177.8848724	0.15
181.0868683	0.22
182.3596954	0.12
183.1812897	0.24
185.9725494	0.33
188.0297852	0.16
188.6840973	0.39
190.2075500	0.67
192.0780792	0.65
193.0576019	0.09
194.1302948	0.16
194.9603424	0.60
195.6232758	0.32
196.9815216	0.08
198.1436005	0.19
200.2324677	0.86
201.2638245	0.09
202.1153412	1.26
203.2016296	0.23
204.6139069	0.07
206.2496490	1.13
208.1136627	0.83
209.0966034	0.09
210.1048431	0.72
211.3244019	0.14
212.1154480	0.54
214.1776276	0.15
218.2254181	10.19
219.3872528	1.93
220.2655792	11.06
221.2954559	1.39
223.3515625	2.39
224.2826080	1.72
226.1552734	3.57
226.7790527	0.08
228.2440186	5.22
229.2908173	0.88
231.1786041	0.68
232.3264008	28.00
233.1938629	0.13
234.1525421	0.08
236.1535034	16.80
237.3297729	100.00
238.2424164	53.22
239.2099152	7.93
253.6713715	1.21
254.3010406	28.53
255.2595978	4.20
256.1711426	3.54
257.2894592	0.85
262.2329102	0.16
272.3875732	1.11
273.3535156	0.12
280.3006287	0.08
304.3141479	0.22
305.5305786	0.08
366.4988403	0.14
380.5309448	0.31
396.4635315	0.74
397.3779907	0.20
407.4495239	7.04
408.5762024	1.84
409.4276428	0.20
410.6057434	0.09
421.3192444	0.10
422.2813110	0.14
423.5118103	0.79
424.3052368	0.60
448.5535278	0.12
462.5628052	0.48
474.8623962	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	556.64
Annotation	Unknow
Peak:m/z	Relative Intensity
209.1007080	0.02
212.7972717	0.56
213.9470520	0.07
214.9135132	0.37
221.4951782	0.01
232.0121460	0.20
284.6073608	0.03
290.6453247	0.07
292.7932739	0.02
297.0180664	0.05
298.7561035	0.15
300.2729492	0.03
316.1914673	0.01
362.3214111	0.03
380.9292603	0.11
382.0770874	0.15
382.8988037	0.02
384.7230835	0.09
386.8838501	0.49
388.9074097	0.86
395.0361938	0.07
402.2230835	0.07
418.1656494	0.91
419.2645874	0.17
420.2572632	1.39
421.1271973	0.16
465.8670044	0.04
468.6530762	0.10
470.7554932	14.21
472.7132568	100.00
473.3402710	0.31
488.9586182	0.03
495.9565430	0.04
510.0361938	0.09
510.9542236	0.12
513.7357788	10.13
514.7545776	8.81
515.6426392	0.06
516.4840088	0.09
518.1550903	0.08
519.4937134	0.03
521.3521118	0.11
522.8203735	0.08
524.2111816	0.05
524.8938599	0.01
525.5312500	0.09
527.2952881	0.02
528.0029907	0.03
533.1432495	0.20
533.7618408	0.05
535.7907715	0.04
536.9096680	0.07
538.1580811	2.50
539.1686401	0.35
560.8237915	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1007.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
284.9617615	0.07
303.2165527	1.12
321.2114563	0.61
345.2380066	1.16
363.0995483	0.99
367.3140259	0.09
373.1854858	0.05
381.3015137	0.13
409.2774048	0.57
423.3894348	0.07
437.3665771	0.61
461.2730103	0.39
477.3905029	0.28
479.3097839	0.86
485.2842407	0.07
495.2122803	0.09
497.0742188	0.12
509.0252686	0.03
521.2419434	3.33
527.4641724	0.30
535.3374023	0.06
536.9225464	0.06
539.3012695	2.31
551.0642090	0.26
563.4881592	0.02
581.3527832	4.89
599.5811768	0.13
607.2796631	0.26
623.3450317	0.12
625.3717041	3.68
641.1433105	0.06
643.3663330	10.24
649.4779053	0.10
667.4085693	11.49
685.3504028	37.86
703.6421509	0.38
713.0031738	0.05
727.2421265	0.25
745.3525391	0.77
759.3438721	0.17
773.3290405	0.12
781.3563232	0.09
783.4362793	0.29
787.4146729	0.33
799.6966553	0.06
801.1784668	0.92
801.8874512	0.04
819.4870605	0.12
825.6636963	0.28
828.9865723	0.09
831.3936768	1.41
832.7396240	0.05
841.2838135	0.14
843.3862305	7.74
849.3787842	2.52
859.5014648	0.47
861.3238525	6.75
873.4205322	0.52
877.3009033	0.04
885.2849121	0.18
891.4382324	0.72
903.4451904	23.28
917.1231689	0.09
919.1668701	0.09
927.3087158	0.08
929.5351562	0.09
945.3533936	0.58
947.4022217	2.25
963.3613281	0.24
965.3601074	0.69
971.4986572	0.60
989.4089355	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
90.93107605	0.19
92.5304184	0.30
93.13154602	0.46
95.05702209	1.08
96.96240234	1.19
98.73195648	0.17
102.9341278	0.30
105.0766144	0.26
107.0200958	0.76
109.0083694	1.95
111.1473541	2.64
113.0158081	0.89
115.0207825	0.39
119.1337814	0.50
121.0447998	1.34
123.0291138	2.72
125.0286713	1.18
126.8967972	1.27
129.1074524	0.64
131.0001678	0.47
133.0583191	0.40
134.9813385	1.69
137.0194702	0.67
139.0679321	4.23
141.0264282	0.44
142.2162781	0.21
143.0361023	0.37
147.1045532	1.25
149.0377808	0.34
149.9651794	0.28
150.9110413	0.89
152.9951019	0.94
154.8676758	1.65
155.4895935	0.31
156.9465942	1.04
159.1588135	0.66
160.9794922	0.76
163.1500702	0.53
165.1565857	1.07
167.1827545	1.12
169.2014465	1.08
171.1710205	1.29
173.0500793	0.23
175.3120728	1.25
177.1398163	0.45
179.2570801	0.55
181.1235657	0.28
183.1557007	4.36
184.6871033	0.38
185.3027649	0.42
187.0827332	0.59
189.1884918	0.79
191.0657043	0.09
193.1661987	0.69
195.2865295	0.81
196.5031128	1.42
197.1679382	4.23
199.0412903	1.48
201.206665	0.44
202.0263367	0.18
203.2969666	3.53
205.1977539	0.29
207.2919617	1.05
208.0807495	0.31
209.3112793	0.37
211.2386475	3.16
213.1704407	1.22
215.2335205	0.32
216.0906677	0.31
219.3121033	1.28
221.1899414	3.82
223.3688354	0.38
225.2472229	3.38
226.4525452	0.27
227.1896667	1.06
229.1028137	0.27
232.1404724	0.30
233.3500671	3.66
234.672699	0.33
237.2615356	5.97
239.2919006	20.33
241.052063	0.72
243.3676147	1.75
244.3192139	0.11
251.2262268	3.79
253.2197571	1.24
255.2953491	3.23
256.9308167	4.72
257.5360107	0.26
259.2606201	0.15
261.2756653	5.96
262.35672	0.41
269.2800903	1.16
279.2268066	100.00
280.2691345	2.82
281.0648804	0.06
287.6700745	0.49
307.2768555	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	319.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
126.9812393	0.47
133.0874023	0.12
144.8631592	2.09
161.1252594	0.05
161.8346863	0.04
162.9830780	3.06
175.0879822	0.12
184.1570129	0.04
185.0254211	0.03
193.9121552	0.04
206.0924683	0.30
214.2376404	0.11
222.0615845	12.54
227.1380005	0.05
237.0590820	0.22
249.1246643	0.04
258.4004211	0.13
271.0028076	0.94
278.1731567	0.28
283.1458740	0.05
287.0700073	26.82
288.1765137	0.65
288.9750977	0.39
289.9558716	0.05
291.3090820	0.06
293.1210022	0.26
294.1457520	0.17
300.1954346	0.08
301.2759399	0.34
302.9977417	100.00
303.9192200	1.97
304.9143677	0.42
306.8857422	0.10
308.4385681	0.12
309.0523987	0.06
310.1002502	0.12
312.5420227	0.16
329.2501831	0.04
331.1353455	0.07
361.2403870	0.23
363.0384521	0.22
379.0988159	0.95
409.1428833	0.27
411.1546326	5.71
413.3412781	0.08
441.2071838	0.25
443.1044006	11.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	724.56
Annotation	Unknow
Peak:m/z	Relative Intensity
206.7042542	0.03
212.9955902	0.21
214.8857422	0.04
232.1910095	0.03
276.8460693	0.06
291.0481567	0.26
292.8430176	0.04
297.1455078	0.02
299.0498657	0.03
312.0058289	0.04
315.9516296	0.05
317.9241333	0.04
320.8117065	0.06
348.6358643	0.16
362.3109131	0.10
372.9143066	0.04
374.5714722	0.10
375.3013916	0.10
382.6118164	0.06
383.2225342	0.03
385.1407471	0.04
387.0222168	0.29
388.7777710	0.07
391.0855713	0.08
400.1176758	0.08
400.8765259	0.02
403.0380859	0.17
407.0880737	0.03
418.2777100	0.21
423.0787964	0.08
442.6892090	0.06
470.5933838	0.10
472.9736328	0.14
479.9573975	0.21
498.1352539	0.28
503.2770386	0.10
519.8131104	0.04
521.0264893	0.59
522.0858765	0.09
530.8152466	0.32
545.8400269	0.05
546.9516602	0.25
548.7486572	1.85
550.7791748	1.23
554.6803589	2.46
555.8489380	1.93
556.8066406	8.16
562.5548096	0.06
563.3603516	0.13
565.0455322	0.13
567.6669312	0.02
568.8515625	0.13
569.7241821	0.08
570.6959839	0.04
571.7332153	0.06
572.4786377	0.07
575.2804565	0.06
597.5313110	0.09
609.2303467	0.05
611.4547729	0.07
612.1046143	0.69
613.2524414	0.18
619.8937378	0.10
625.6624146	0.05
635.2931519	0.05
637.1375732	0.05
638.6425171	15.82
639.6806030	24.09
640.6609497	100.00
641.6102295	0.11
643.5104370	0.05
644.8655396	0.04
647.6845093	0.19
648.8639526	0.14
650.8281860	0.24
655.4540405	0.18
656.4771118	0.08
658.5621948	0.13
659.4088135	0.19
660.0830078	0.07
661.0673218	0.10
663.9513550	0.05
670.9611206	0.04
677.9658203	0.12
681.0365601	4.26
681.7515259	30.13
682.7579956	14.86
683.6358032	0.14
685.3975830	0.05
686.1860962	0.08
687.7772827	0.04
689.7666016	0.13
690.9240723	0.13
691.8517456	0.16
701.0131836	2.31
701.8585205	0.15
704.4793091	0.03
705.3085327	0.06
706.6381226	0.11
715.4120483	0.09
734.9987793	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	786.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
264.2583923	0.20
387.1662598	0.05
407.4656982	0.06
444.2907715	100.00
562.3854370	0.12
565.5186157	0.07
583.1434326	0.14
624.2199097	0.14
630.4486694	0.11
767.6099243	0.46
768.4684448	0.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	350.1621
Annotation	Riddelline
Peak:m/z	Relative Intensity
120.1327972	0.27
133.0146790	0.99
137.9963379	0.14
147.2644806	0.42
149.1263428	0.39
151.0555267	0.63
159.0223389	0.22
163.9483032	0.24
172.1230927	0.12
176.2265930	0.12
177.3618317	0.08
179.0415802	0.44
184.3338318	0.18
187.5400391	0.18
190.9823303	0.09
195.1210632	0.09
197.8501740	0.36
199.0201263	0.08
203.2091675	0.23
203.8501282	0.11
209.1833191	1.32
215.1783752	0.20
217.4186401	0.55
221.0316467	0.25
231.8355713	0.53
232.8545532	0.21
239.9621887	0.09
240.8298340	0.12
242.0719910	0.71
242.9482117	0.19
250.1231384	0.11
251.1669312	0.57
256.8334045	0.11
258.1497192	0.43
260.2379150	0.84
261.1254272	0.07
266.2683105	1.53
269.1076660	0.83
270.0963135	0.55
274.3408203	0.78
276.1473999	2.00
281.4276123	0.12
284.1057739	0.27
284.9709473	0.24
290.3521729	0.36
294.0634155	0.13
296.4708862	0.17
298.2194214	0.60
301.0380859	0.69
302.0236816	0.56
303.4867554	0.15
304.2135925	0.57
306.0690918	0.49
309.1990967	0.49
312.7427063	0.52
314.1660461	12.31
315.3273315	0.35
319.1725464	0.44
320.9459839	0.87
322.2897339	0.53
329.2132874	0.51
330.3070068	0.26
332.0744019	100.00
332.9031982	1.35
333.5383911	0.35
341.6744690	2.12
349.4004822	0.52
350.7530518	0.23
355.0902405	0.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1049.2821
Annotation	Cyanidin 3-O-[2''-O-(xylosyl)-6''-O-(p-O-(glucosyl)-p-coumaroyl) glucoside] 5-O-glucoside
Peak:m/z	Relative Intensity
303.2490845	0.42
321.3106384	0.58
322.0286255	0.13
325.2867737	0.04
345.1030884	0.18
346.4290161	0.07
381.3623047	0.31
387.2831726	1.25
388.5183105	0.09
404.9904175	0.78
406.0282898	0.12
432.9120789	0.04
458.7355957	0.10
459.4378052	0.07
460.2650146	0.07
465.2552490	0.08
503.1757507	0.38
504.2188110	0.11
521.1521606	0.40
522.4342651	0.16
539.4827271	0.27
551.1399536	0.49
563.2471924	0.87
564.3790283	0.20
569.2697754	0.49
570.6005859	0.04
581.1015015	0.25
582.0158081	0.23
605.3155518	0.07
623.2358398	1.42
624.2604980	0.60
649.3156738	0.41
665.3439941	0.10
666.5140991	0.09
667.3883057	0.25
668.4309692	0.41
683.0300293	0.22
685.2813721	1.89
686.5568848	0.12
691.5424194	0.08
709.3110962	10.59
710.3993530	2.48
727.2933350	41.52
728.4254150	8.46
745.1899414	0.07
751.2046509	0.06
769.5517578	0.24
785.7299805	0.20
787.0461426	0.11
788.6303711	0.16
797.4998779	0.07
799.2315674	0.12
825.3267822	0.56
829.4661865	0.10
830.7907715	0.04
843.3951416	1.51
855.2424316	0.16
857.4846191	0.10
859.0745850	0.07
867.5795898	0.05
873.4982910	1.01
874.3970947	0.40
879.4034424	0.43
880.6166992	0.24
883.5098877	0.36
885.3039551	3.85
886.3326416	0.46
891.3354492	1.95
892.5008545	0.37
901.3980713	0.15
902.4127197	0.17
903.3233643	5.23
904.5244141	2.07
916.4870605	0.14
927.3819580	0.41
933.4068604	0.32
934.4739990	0.28
945.3630371	12.70
946.4729004	6.42
949.5631104	0.05
963.2658691	0.09
967.9302979	0.38
969.2236328	0.06
971.4860840	0.24
987.5897217	0.41
988.5974121	0.38
989.3758545	0.20
990.7216797	0.05
998.5751953	0.46
1005.4580080	0.14
1007.5327150	1.04
1008.3902590	0.43
1013.3784180	0.21
1014.3728030	0.15
1019.6318360	0.12
1031.3604740	100.00
1032.4317630	30.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	272.96
Annotation	Ribose-1-arsenate
Peak:m/z	Relative Intensity
114.9274445	4.69
130.9889526	0.42
156.7901154	0.02
158.9284668	100.00
159.7571564	0.02
198.9581299	1.90
200.1102905	0.03
201.1791687	0.04
217.0926819	1.44
217.9297180	0.02
229.0328674	26.56
245.0706177	0.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	527.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
148.8258057	0.05
182.8768768	0.07
223.2606201	0.09
254.2042236	0.25
256.2283020	0.25
276.9275208	0.20
293.2246094	0.23
301.2732239	0.17
311.0098877	0.44
331.2537231	0.21
349.2094116	0.21
365.2494507	1.39
374.9721069	0.08
387.1750488	0.07
395.6679688	0.14
407.1538696	0.23
411.4335327	0.12
412.9039917	0.15
435.4033203	0.18
439.0354004	0.40
441.5704956	0.22
454.4884033	0.22
456.1766968	0.13
466.4206543	0.30
479.9892578	0.43
481.3457642	100.00
482.2267456	0.60
483.3657837	0.12
490.9133911	0.18
508.9966431	0.23
509.6086426	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	345.0824
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
101.1115036	0.03
113.0460358	0.08
114.2811127	0.08
130.0727386	0.06
131.0330200	0.03
136.9612579	3.36
142.8513947	0.20
147.0221252	0.04
148.7971497	0.08
161.1068115	0.07
163.2400970	0.02
164.1373596	0.31
165.1417236	0.22
168.0457611	0.04
179.1174316	1.31
179.9825897	0.46
182.6262817	0.14
191.3236389	0.07
198.0869446	0.03
214.3411255	0.03
229.0564880	0.08
230.1739502	0.05
231.3436584	0.06
246.2403259	0.03
249.2525330	0.11
252.2137451	0.08
253.2143250	0.09
254.3469543	0.07
255.2606201	0.15
272.4077759	0.04
273.0931091	0.10
283.0284424	0.08
290.9717102	0.03
299.1215515	100.00
301.2080078	0.14
302.3011169	0.07
308.1671753	0.05
309.0900574	0.10
324.9079895	0.29
326.1353455	0.34
327.1465454	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1142
Annotation	Lactulose
Peak:m/z	Relative Intensity
119.2978668	0.01
175.0972900	0.01
179.4740753	0.02
186.8562164	0.01
193.2902527	0.02
206.9434662	0.01
245.1658936	0.02
312.3365173	0.04
341.2025757	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	379.08
Annotation	Didymocalyxin C
Peak:m/z	Relative Intensity
113.0020294	0.03
161.1584473	0.06
162.0326843	0.05
179.0816040	1.01
179.7880096	0.10
181.1585999	0.02
197.1281738	0.33
198.4697266	0.17
199.0785217	0.36
215.0949249	2.44
216.1709900	1.78
217.1095886	8.72
222.1828613	0.04
251.4936218	0.04
280.9741211	0.12
322.0192871	0.05
341.2237244	100.00
342.2097778	37.85
343.3075562	9.79
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	796.61
Annotation	Unknow
Peak:m/z	Relative Intensity
290.7532043	5.94
292.1716919	0.67
292.8082886	3.85
374.6210327	1.30
376.8361816	0.64
458.6391602	15.59
459.8271484	2.62
460.7686768	19.49
542.6168823	57.42
543.6415405	31.97
544.6325684	88.12
545.3384399	0.78
586.7214355	1.08
626.4675293	15.41
627.5033569	32.27
628.5915527	58.48
629.6506348	0.64
630.6726685	1.11
647.6217651	0.70
659.6864624	0.74
665.6712036	0.56
672.8041382	0.27
674.8391724	1.20
688.6787720	1.11
689.7250366	4.40
690.4354858	1.25
702.8150024	0.26
710.4601440	25.82
711.4396362	43.93
712.4977417	100.00
730.0917358	0.20
730.8565674	1.71
731.7266235	1.05
742.2937622	1.04
749.2400513	3.04
750.0136108	0.75
750.6149292	1.87
754.5309448	0.23
772.1048584	0.49
773.3473511	0.46
777.7767944	0.70
797.0098267	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	716.61
Annotation	Unknow
Peak:m/z	Relative Intensity
206.8488770	0.09
290.8091431	0.49
292.9197998	0.13
294.1816406	0.05
332.7924805	0.07
338.7888794	0.03
346.0452271	0.02
380.8651123	0.70
400.4511108	0.05
418.0853271	1.08
456.3918457	0.03
461.0412598	0.05
462.7683105	0.07
464.7144165	3.20
468.9705200	0.04
504.7912598	0.02
518.1605225	0.15
536.2996826	0.85
537.1540527	0.06
542.8593140	0.54
544.4122925	0.09
545.3276367	0.14
546.3049927	0.24
547.6251831	0.97
548.7001343	11.68
554.9477539	0.04
560.7543945	1.07
561.8355103	0.05
572.7095337	0.11
578.2518921	0.16
580.3004761	0.07
586.4547119	0.02
596.3891602	0.26
602.6517944	0.05
604.9739380	0.07
606.2315674	0.20
608.7390747	0.14
609.5836792	0.25
612.8863525	0.48
614.8831177	0.12
624.7910767	0.16
626.2695312	0.06
626.9614868	0.08
630.0361328	0.13
630.7756348	0.31
632.5838623	100.00
633.5144653	0.24
634.4543457	0.13
635.0765991	0.14
639.1511230	0.10
648.3312378	0.48
653.8790894	0.09
656.0859375	0.88
656.7542114	0.04
661.2750854	0.08
662.6558228	0.43
663.5864868	0.10
669.5273438	0.39
670.2509155	0.05
672.7411499	0.23
673.7374878	0.70
674.5847168	1.83
675.3542480	0.26
683.9723511	0.11
686.9611206	0.02
692.6139526	0.75
693.6945190	0.14
696.2608032	0.06
699.5989990	0.12
719.0313110	0.04
721.9520264	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.0824
Annotation	Dihydrocaffeic acid 3-O-glucuronide
Peak:m/z	Relative Intensity
107.0104065	0.32
108.0314789	9.37
109.0534363	12.60
118.9649506	0.75
121.0927124	0.85
122.0164719	0.55
123.0085297	1.65
132.8930511	0.24
135.0417480	1.03
136.1636505	0.32
136.9994507	0.21
144.7517090	0.18
147.1537628	0.28
149.0755005	0.94
151.0501709	5.23
151.9982300	42.18
153.0259399	100.00
159.0402985	0.40
161.1156311	0.86
163.0504761	9.67
165.0816650	11.24
167.2364655	0.04
171.0917053	0.22
173.0535278	0.25
175.0042725	0.65
177.0213013	1.31
179.0821838	1.89
181.0994568	2.56
183.2761230	0.14
189.0610962	0.66
191.0561829	1.13
192.1496887	0.30
193.0960999	1.74
194.0505676	0.84
195.1424255	17.52
199.0583496	0.08
201.1261597	0.55
203.2992249	0.14
205.2410583	0.16
207.1593018	4.19
211.1595764	0.11
217.0986328	2.75
219.0695496	1.95
219.6788025	0.04
222.7148438	0.11
225.1022644	7.99
227.9205627	0.09
229.2824402	0.24
232.9810791	0.08
233.8456421	0.16
235.1175537	2.30
237.1264648	0.69
243.3429871	0.18
249.1985474	0.17
251.3275452	0.43
253.1820068	1.04
259.2235413	0.11
261.1489258	1.13
267.3200989	0.17
269.3696289	0.26
271.2086792	1.18
277.6365356	0.10
279.0830994	0.89
280.9333191	0.08
283.2766418	0.29
294.5117493	0.11
296.1060181	0.20
297.2751465	8.94
301.3618774	0.26
308.5820007	0.14
310.2304688	1.01
311.3341370	1.11
312.3591309	0.71
313.1740723	0.40
315.1776123	41.76
315.8493042	0.14
319.2636108	0.11
320.3516541	0.09
328.5791016	0.17
336.3200073	0.18
337.4815369	0.45
338.1616516	1.17
339.1958008	2.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	464.73
Annotation	Unknow
Peak:m/z	Relative Intensity
212.9650421	0.08
251.1805725	0.43
252.0760803	0.04
253.4945984	0.02
294.9991455	0.14
296.7595520	0.70
348.5882263	0.05
369.0308228	0.02
377.7192688	0.05
378.7219543	0.23
380.7823792	100.00
381.4322815	0.14
388.9701843	0.08
391.0099792	0.12
391.6589661	0.04
397.2000122	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
91.06177521	0.67
93.05921173	2.89
97.12461853	0.35
104.8873901	0.56
107.1891403	0.96
109.127243	1.70
113.8940659	0.17
117.3233185	0.23
121.063324	0.57
123.167038	0.38
125.1298904	0.71
126.0839462	0.38
126.9727325	0.46
128.7659454	0.23
130.7792358	0.52
132.8031921	1.41
133.4073792	0.49
135.119812	1.83
137.0865784	1.23
138.9313812	0.49
140.8716736	1.45
143.0931702	1.18
147.0317383	1.13
147.848938	0.30
149.176651	0.60
151.0549622	1.18
153.0996704	1.79
154.7156982	0.24
156.9821472	1.15
159.265564	0.40
161.1195984	1.45
162.8161926	0.21
165.1910706	1.06
165.8405151	0.26
169.062439	2.98
171.1399231	0.74
172.9345245	0.40
175.183075	0.31
176.9850922	0.73
179.1091309	0.21
180.2118988	0.38
181.1461792	0.73
183.0545349	2.16
185.1797943	1.72
188.5938721	0.20
190.9465179	0.37
192.9895935	1.49
195.1781006	2.44
197.0404663	4.36
199.1799316	2.04
200.1791534	0.58
203.2950439	0.58
205.0429077	1.15
209.1103821	0.40
211.1810303	2.47
212.2048035	0.64
213.3205872	0.69
215.0621948	1.06
217.0898743	0.88
221.0529785	0.42
222.1291504	0.89
223.1942444	1.05
227.2122803	0.60
229.0915527	0.55
229.7393188	0.61
231.2749023	1.07
233.5144043	0.85
234.6837769	0.96
236.6087036	1.46
237.2191772	0.66
238.8365173	2.65
247.208313	2.21
249.2402954	2.50
250.0238037	0.25
251.1379089	4.97
251.9787903	0.44
253.1592407	8.59
254.6181335	0.85
255.2837524	0.54
257.4085693	0.59
262.2302856	0.84
263.1933594	0.17
265.1296997	4.72
267.3262024	3.81
269.1262207	2.35
270.2376709	2.45
275.2110596	12.33
278.1207581	0.44
279.3366394	1.18
283.078949	11.26
283.9898071	0.42
288.1261597	0.54
290.4690857	0.56
291.7295532	1.21
293.2089539	100.00
294.2495728	1.39
295.2122803	0.19
296.6511841	1.80
301.6922607	1.25
302.8460999	0.55
307.3024292	0.14
308.5531311	0.48
309.4776611	0.52
310.4487	1.29
311.2354126	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	350.16
Annotation	Riddelline
Peak:m/z	Relative Intensity
107.0880585	0.54
109.1168289	0.42
111.0065689	0.54
115.2006683	0.26
123.8606186	0.43
124.8895493	0.20
132.9888	1.45
135.1774292	0.26
136.967514	0.17
139.17276	0.16
147.6596375	0.45
151.0614014	1.95
166.2141113	0.15
171.2395935	0.15
173.3336639	0.19
183.1671448	0.73
184.1325836	0.21
185.0236206	0.42
188.2522888	0.65
190.16362	0.16
195.2216797	0.30
197.2423248	0.12
198.1311035	0.22
201.0645752	0.50
201.8909607	0.09
203.0562744	1.21
207.033371	0.67
208.2384033	0.17
209.2046967	2.52
210.2094727	0.49
214.4922791	0.53
219.143219	0.32
222.7969666	0.28
224.3914795	0.20
225.3045959	0.17
230.3545532	0.84
232.1885071	0.42
235.3803711	0.43
236.1807556	0.50
239.1861267	0.53
243.477417	0.17
245.1802673	0.51
245.9129944	0.26
248.1092224	0.89
254.6156006	0.49
256.4853516	0.29
257.4049683	0.58
259.256897	0.69
260.1001587	0.83
261.065918	0.64
264.1567993	0.56
265.3591309	0.50
266.2612305	1.22
269.3273926	0.75
271.3136597	0.75
272.3214111	0.45
274.1282959	0.17
276.2081604	2.11
276.9950562	0.74
278.1419067	0.63
282.3010254	0.32
283.3662415	0.30
286.9602051	1.52
290.1399841	1.92
290.9776611	0.38
292.3210144	1.04
296.3390503	0.23
297.1888428	0.59
298.9985962	0.72
300.8193665	0.96
304.1780396	0.21
306.1104431	0.43
307.026947	0.47
309.3384705	0.24
314.0795898	17.80
315.0117798	1.45
315.6864624	0.64
317.9086304	0.55
319.18927	1.55
320.0281982	0.37
321.4751282	3.69
322.1306763	2.00
322.9340515	0.26
326.7107849	1.10
331.4048462	9.99
332.1448669	100.00
333.1751404	3.70
333.7891846	0.53
340.8085327	0.33
342.0639343	0.94
350.3384094	0.23
357.391571	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	269.21
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
79.13349152	0.43
80.77333069	3.36
85.22279358	0.66
91.01847839	0.61
93.00606537	0.50
94.94714355	5.55
97.1018219	2.46
98.96151733	1.87
100.9331818	1.75
106.8893433	1.50
108.9817505	4.40
110.0986023	0.16
110.9250641	0.53
115.0441132	1.27
116.977066	0.29
118.9571838	0.34
120.9693756	2.88
122.8111572	1.16
123.8123474	0.16
124.7356567	1.28
126.9890442	0.52
129.1291199	0.48
131.0384064	0.13
133.1429901	0.65
134.9900208	4.55
135.6035004	0.33
136.3774719	0.11
138.8936157	3.15
140.9015656	2.46
142.9542847	0.64
145.1232147	0.32
147.1530914	1.88
149.1207733	4.49
151.0094147	1.43
153.1944275	1.25
154.9558868	4.23
157.0059204	0.80
158.8567657	0.22
161.1640778	0.92
162.1787567	0.72
163.10289	1.98
164.9097748	0.65
167.1840668	0.32
168.0406036	0.43
169.0739441	4.82
171.0196381	0.63
173.1527557	1.42
173.8152313	0.67
175.1322632	1.58
179.2161713	3.25
180.1584015	0.16
181.1086884	5.03
183.0306854	2.71
185.1300812	5.05
187.0814362	0.48
189.1884918	1.85
190.0868988	0.32
191.2077179	4.63
192.0813751	0.69
193.0817566	2.37
195.1665802	3.23
197.0030975	2.86
199.1622925	2.33
205.1046906	3.42
209.0609894	3.85
211.0460663	4.95
213.2168579	4.26
215.2117615	2.41
222.6904144	1.01
223.3596802	1.40
224.2084656	0.28
225.0583344	3.91
226.0427094	0.31
227.1397705	3.34
228.0243683	2.14
233.1689301	9.52
235.4152374	0.13
239.4287567	0.23
240.3677979	1.26
241.1165161	3.49
242.446701	0.13
243.3096924	0.30
248.3405762	0.49
249.6905975	0.40
251.2057953	100.00
252.2962799	0.72
254.3119965	0.60
260.336731	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	651.79
Annotation	Unknow
Peak:m/z	Relative Intensity
235.3701324	0.08
251.1428223	0.07
290.9637146	0.05
292.9457397	0.52
294.3883362	0.13
316.0390015	0.49
321.0032349	0.06
331.2931519	0.11
374.6942749	0.10
376.5240479	0.25
397.6126709	0.13
400.2622070	0.46
401.3328857	0.10
415.3426514	0.23
437.8128662	0.71
467.7108154	0.27
474.8063965	0.26
479.9234619	0.13
483.8278809	3.40
484.5282593	0.21
496.2227173	0.44
496.8520508	0.08
499.4356079	0.09
514.1422119	0.18
519.0736694	0.16
521.7302246	3.86
522.4250488	0.04
535.0841675	0.28
553.5788574	0.57
565.0640259	0.30
566.9055786	0.61
567.7664185	17.05
568.5109253	0.14
592.4318237	0.37
605.7625122	100.00
606.5083618	0.11
628.4934692	0.26
633.2164307	0.31
635.2706909	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	382.1695
Annotation	(R)-Pantothenic acid 4'-O-b-D-glucoside
Peak:m/z	Relative Intensity
115.9399490	0.15
124.0315781	0.26
126.8267975	0.11
132.0260620	0.12
145.0726929	0.14
149.0887299	0.12
150.8763885	0.06
159.0018463	0.08
175.3536377	0.38
182.0132904	0.13
184.0043488	0.26
188.1665039	0.06
198.9495239	0.20
201.9560547	2.12
202.6189575	0.28
203.2664032	0.21
213.2251740	0.45
217.0144043	0.13
220.0927429	100.00
221.0332336	0.42
227.0831604	0.18
234.0129395	0.20
239.1327515	0.26
241.4662170	0.09
244.2309265	0.18
251.2721558	0.16
259.3211975	0.05
261.0449829	0.10
266.1749573	0.11
283.0824890	0.06
288.6844482	0.24
292.2012939	0.51
293.4016418	0.06
300.8248901	2.79
301.6178894	0.23
304.1535645	0.26
307.1492615	0.34
308.3975830	0.22
309.1990356	0.25
318.2911377	0.25
336.3936157	0.26
337.5274353	0.10
338.1301880	0.22
340.8919983	0.26
341.7884827	0.08
347.2021484	0.12
349.6976929	0.06
351.3545837	0.23
353.4105530	0.56
363.3505249	1.02
364.2004700	1.11
381.9891663	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	441.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0349121	0.04
171.9928131	0.11
172.8343353	0.03
231.9346619	0.12
242.1400757	0.06
245.2742920	0.14
256.0020752	0.09
260.9120789	0.03
274.1839294	0.86
275.1847229	0.39
278.1682434	0.03
279.3234253	0.16
284.1680298	0.02
304.2419434	0.05
305.0303955	0.02
334.4808960	0.17
335.0991516	1.16
341.2686768	0.45
352.2609253	0.08
355.1555176	0.11
360.9812622	0.10
364.0302124	0.10
369.1706238	0.08
395.1048889	100.00
396.2088013	4.22
397.2705994	1.76
406.3850403	0.13
408.6296082	0.06
409.3869324	0.02
411.2325134	0.04
412.7796021	0.04
432.8872375	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	560.68
Annotation	Unknow
Peak:m/z	Relative Intensity
193.1890869	0.06
219.0241241	0.02
232.8543549	0.03
241.2207947	0.02
262.1590271	0.01
309.1451416	0.04
349.1211548	0.04
359.1600952	0.02
371.1641846	0.07
377.3914185	0.02
385.3046875	0.03
387.1453247	0.03
389.2446899	0.03
392.9404907	2.24
395.1273193	0.02
423.0831909	0.06
424.5682373	0.03
425.2934570	0.01
445.0438232	0.02
463.3109741	0.01
470.1301270	0.01
471.1896362	0.04
473.2167969	0.05
473.8699341	0.03
475.4227905	0.49
476.7999268	100.00
487.0427246	0.02
515.0905151	0.05
536.8759766	0.03
541.9277954	0.05
543.7855835	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	204.0861
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
60.02578354	0.09
67.94717407	0.05
69.76654053	0.06
73.89233398	0.05
83.9077301	0.09
84.8841095	0.07
87.89001465	2.94
95.95866394	0.48
97.22515869	0.08
98.21484375	0.06
103.032486	0.03
109.1474915	0.04
109.9840851	0.03
112.218811	0.03
113.9601746	1.68
115.9645233	2.69
119.962738	0.02
121.9272766	0.02
126.0220947	1.46
127.0045929	0.11
132.1212158	0.02
133.9194641	100.00
138.0188293	0.48
144.0059204	1.04
144.9367371	0.30
150.0183105	0.25
156.140152	0.61
157.9364166	0.36
162.1903381	0.27
163.0186462	0.37
168.0371399	2.55
174.0626221	0.06
174.8856659	0.02
176.0331268	0.06
181.0422516	0.08
184.1596222	0.04
186.0716248	44.10
195.1859894	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	535.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
161.0288239	0.08
233.0973663	0.15
235.1304016	1.06
244.0586243	0.05
244.7807007	0.08
253.3146362	50.34
261.0941162	0.12
287.1129150	0.07
306.2926025	0.05
307.2158203	0.09
310.9453125	0.08
330.0032959	0.04
355.4231567	0.14
364.2949219	0.09
373.2077026	0.15
375.5223999	0.05
407.0928955	0.03
436.4200439	0.14
439.5410767	0.06
467.4381104	0.11
489.1904297	100.00
490.0537720	0.63
491.2219238	0.09
493.9940796	0.11
498.9973755	0.12
507.1950073	0.16
517.5601196	0.30
518.6651611	0.09
535.8959351	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	562.31
Annotation	Detoxin D2
Peak:m/z	Relative Intensity
158.1134033	0.04
161.4119415	0.13
163.0328979	0.12
173.0873108	0.91
174.0357361	0.27
175.0024567	0.51
189.1957855	0.29
191.0186920	24.91
192.1079559	1.12
202.0447083	0.13
203.0402527	0.05
218.2953186	0.07
220.2517090	4.90
221.5311432	0.03
231.1771240	0.10
233.1795502	0.11
236.1282501	0.12
237.0574036	0.05
238.2288513	4.68
239.2527008	0.78
240.7460938	0.09
243.2561798	0.04
244.4776154	0.06
245.2342529	0.07
255.7198486	0.28
256.3577271	3.07
268.4137573	0.16
271.4473572	0.31
274.3894043	0.09
275.2548523	0.05
285.3513184	0.03
289.2650757	5.84
290.3856812	0.06
291.3133545	0.47
294.4876709	0.16
298.3604736	0.14
307.2035522	49.78
308.1865234	1.75
309.0928955	0.18
312.6214600	0.08
313.2949219	0.19
314.4598389	0.05
321.8752441	0.06
323.4633789	0.09
325.3021240	6.17
334.4010620	0.03
338.1474609	0.54
340.2166748	0.06
352.3939209	0.13
368.8242798	0.21
371.4987793	0.04
372.5452271	0.28
375.2639771	0.10
377.9307251	0.28
379.4177246	0.25
382.0223389	0.10
397.2676392	0.15
398.4384155	0.07
399.2081909	0.06
408.2830811	0.30
413.4670410	0.21
417.3583984	0.23
422.8660278	0.10
423.6510010	0.06
428.4195557	0.03
432.9598999	0.52
433.6022339	0.04
438.2508545	0.22
441.5933838	0.18
459.6762085	0.36
472.6942139	0.03
475.6539307	0.15
477.7674561	0.13
481.7952881	0.32
482.4714355	0.24
491.5127563	0.06
503.6351929	0.19
508.5866089	0.17
509.5042725	0.09
514.4540405	0.21
515.5097046	0.12
516.1774292	0.22
518.4648438	0.13
520.7617188	0.15
525.2407227	0.14
526.4394531	2.40
527.4790649	0.69
531.3198853	0.28
531.9965820	0.03
535.0573730	0.21
544.4745483	100.00
545.5029297	9.24
546.9369507	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	586.91
Annotation	Unknow
Peak:m/z	Relative Intensity
200.2005920	0.09
230.2998352	0.12
272.8845825	1.54
288.8248291	0.06
313.0206299	0.12
317.3901367	0.08
356.2235718	0.09
358.4279785	0.23
359.0989380	0.36
387.0792236	0.22
387.8922729	0.18
389.1052246	0.17
403.0101318	0.23
404.0555420	0.16
404.7914429	0.09
405.4912109	0.18
427.1425781	4.52
429.2706299	0.13
430.1168823	0.05
444.7663574	0.13
467.2114868	0.12
472.4315186	1.10
473.0593262	5.04
486.1361084	0.13
491.0975952	0.08
493.1575317	0.07
495.3978882	0.13
501.1235962	0.17
502.1353149	0.13
502.7636108	0.20
514.1943970	0.30
515.2404785	0.17
517.8865967	0.20
529.0933228	0.12
531.1593628	0.12
540.9680176	100.00
541.8466187	0.53
543.0233154	0.47
546.7460327	0.22
559.0111694	0.07
559.7434692	0.04
568.9448853	0.09
576.9257202	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	272.19
Annotation	Unknow
Peak:m/z	Relative Intensity
79.8862152	4.82
81.0182953	0.28
82.9778137	0.55
84.0456467	0.23
85.0568237	0.13
91.0227661	0.37
93.0032806	0.48
93.8374786	0.90
96.0697479	1.21
96.9832306	0.71
100.2071991	0.34
101.9752350	0.09
104.9665680	0.77
105.9738617	0.10
107.0242615	0.42
108.2578888	0.55
109.9071350	0.68
110.9537201	0.18
111.8634338	0.20
121.9990387	0.99
123.0942688	0.36
124.5792542	0.34
125.1825714	0.04
127.0051422	1.28
132.1131134	0.25
133.0237122	0.60
135.0339050	0.24
135.9981384	0.67
138.1647186	0.82
140.0143890	1.15
140.9923401	0.33
142.2848663	0.45
147.0219116	0.22
150.1700897	0.85
151.1450195	0.15
152.1338043	1.16
155.9783020	0.10
157.0059357	0.53
160.0413666	0.15
162.1054230	0.86
164.1251221	0.43
166.3789520	0.08
167.0212555	0.14
169.3514404	0.13
174.0986176	6.95
174.9295502	0.42
184.2883453	0.28
186.2999268	0.23
189.3098602	0.07
190.0813599	0.59
191.1432648	1.19
192.1748199	15.23
193.2622528	0.45
194.1266327	0.24
200.2192841	0.51
208.0278931	0.68
210.2655182	9.09
212.1377411	0.20
213.1623383	0.47
215.0914764	0.21
216.2327423	0.20
218.1966400	0.92
221.0692596	0.36
224.3524170	0.12
226.2353363	0.68
230.1020355	0.25
230.7625122	0.91
236.2364960	3.23
240.1108856	0.12
242.0023346	0.06
244.1970215	6.35
249.0731659	0.54
254.2486725	100.00
255.1158600	1.26
262.4423523	0.28
263.1747437	1.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	431.1226
Annotation	N-Ethylmaleimide-S-glutathione
Peak:m/z	Relative Intensity
147.1812439	0.08
158.8880920	0.05
164.0176392	0.06
186.1539307	0.07
186.8592987	0.08
187.9264984	0.06
203.2854309	0.20
211.3146973	0.10
216.9073944	0.11
220.1278839	0.13
226.1509399	0.13
238.3012390	0.08
246.1362305	1.28
247.4425354	0.07
251.3085632	0.06
263.2414551	0.19
269.3204346	0.10
275.1091003	0.13
281.2618408	0.07
282.9929810	0.06
296.9502563	0.20
299.2481689	0.16
306.0302429	0.29
308.1602173	0.20
309.5944519	0.09
311.5268250	0.07
314.0539246	0.11
315.1748657	4.21
316.0987549	1.02
316.7224731	0.13
318.2596436	0.31
325.8230591	0.09
332.4073486	0.13
333.4501953	0.07
335.0895081	0.06
341.2349243	1.57
342.9229126	0.20
344.2050171	0.67
361.2120056	1.29
367.9890137	0.22
372.4400330	0.11
380.9726257	0.16
385.2402954	2.31
386.7138672	0.16
394.1709290	0.20
395.2359924	0.41
395.8630066	0.11
405.4033508	0.06
413.1161194	100.00
413.7400818	0.49
422.1880493	0.08
426.5865173	0.15
428.2615051	0.41
430.4288635	3.60
431.2046509	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	182.0807
Annotation	4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline
Peak:m/z	Relative Intensity
118.8459930	0.01
123.3281860	0.05
136.0440826	23.01
137.0155640	0.02
146.9255676	0.10
164.9745331	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	691.261
Annotation	Maytanbutacine
Peak:m/z	Relative Intensity
200.8908081	0.11
202.1677094	0.02
239.0734100	0.17
283.3656616	0.06
315.1422729	0.10
321.0131836	0.07
326.0215454	0.07
375.5758667	0.05
418.1947632	0.04
429.3217773	0.04
463.5779419	0.04
476.6595459	0.05
487.4497681	0.05
491.3667603	0.05
503.1980591	0.25
514.4029541	0.17
527.5980835	0.22
534.2210083	0.50
554.3623657	0.12
555.5315552	0.67
556.5099487	0.10
558.1190186	0.06
559.3737793	0.04
569.6102905	0.09
570.6827393	0.07
571.6669312	0.06
581.3168335	0.44
582.4478149	0.53
587.5121460	0.04
588.6065063	0.16
597.1519165	0.25
599.3472290	4.54
600.4622803	2.73
603.5603638	0.22
604.2831421	0.05
615.4013062	1.60
616.3977051	0.65
620.2846680	0.07
623.2350464	0.19
627.6186523	0.12
631.3845215	100.00
632.3667603	37.35
633.0099487	0.20
641.2665405	1.36
642.3909912	0.90
643.5127563	0.05
645.4904175	0.07
647.8696899	0.18
648.5177612	0.13
654.4471436	0.04
659.3763428	8.81
660.4523315	3.87
664.5223389	0.16
673.3985596	16.84
674.4660034	5.69
693.7352905	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	492.2014
Annotation	Stephalonine C
Peak:m/z	Relative Intensity
143.0635681	5.58
143.9425201	0.25
146.0424194	0.57
147.2072449	0.07
148.9547729	0.05
151.1183472	0.06
152.9873962	0.46
164.8420868	0.06
166.1717834	0.68
167.0186615	3.04
168.1410675	0.51
170.0561066	0.79
171.0651245	1.57
172.0497131	0.29
178.9969025	14.35
180.1011047	1.97
181.0956116	0.33
183.2965698	0.11
185.1679688	0.51
191.2881470	0.05
192.2918701	0.71
193.0457153	0.14
197.0675507	1.09
198.1021423	0.30
208.8666382	0.04
210.1077881	10.30
211.1597595	2.99
219.2890930	0.25
228.1167450	0.76
236.1481323	1.40
238.1708221	0.05
241.2160492	0.40
243.0959015	0.12
249.5003052	0.18
254.1459656	100.00
255.1929016	15.39
272.1608887	85.04
273.1320496	12.23
283.1535645	0.54
287.1226501	0.07
295.2543945	0.42
299.1207581	0.09
304.2512817	0.05
306.3230591	0.36
307.7460327	0.42
313.3296814	0.11
330.2609558	0.09
331.0255737	0.24
349.3562927	0.06
355.1314697	0.05
359.5061035	0.22
363.2541504	16.76
364.4006042	2.17
391.0771790	0.06
397.3004456	1.12
399.4200439	0.14
405.2265015	0.14
406.1454163	0.11
417.3614197	0.68
419.3263855	0.03
425.4034424	0.09
430.3595276	0.14
431.5998230	0.25
446.9416199	0.37
447.5911865	0.06
448.2076111	0.17
449.4201965	0.51
457.0937195	0.27
462.5462341	0.52
463.3877869	0.06
467.1792603	0.07
474.2919312	40.39
475.3857727	10.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.8
Annotation	Unknow
Peak:m/z	Relative Intensity
176.0301971	0.03
213.3492126	0.05
218.9910431	0.14
270.9924927	0.03
272.9566956	0.05
274.1896973	0.08
275.0409851	0.02
287.1897888	0.04
288.9475708	0.04
301.2684937	0.07
302.8434143	100.00
311.1192627	0.08
312.8524780	0.03
340.8468323	0.05
369.5247498	0.03
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
92.97972107	0.99
94.93618011	0.85
97.02186584	1.18
99.09199524	0.25
103.2202759	0.08
104.9073334	0.07
109.1258774	1.44
110.9237518	0.48
112.9808578	0.44
117.0298615	0.86
120.8768158	1.06
122.4028168	0.24
123.0499573	1.44
125.0384445	0.18
127.0523224	0.42
128.8935547	0.19
132.9635925	0.46
135.0927582	0.64
135.8413696	0.27
137.0284729	0.31
139.0510254	3.02
140.7984924	1.01
143.0120239	0.58
145.3936768	0.40
146.8946228	0.67
148.9848938	0.35
151.0744019	0.91
153.088501	1.00
155.1010132	1.03
157.0788422	0.67
159.0532074	0.47
160.8874664	0.35
163.0763397	0.32
164.7857056	0.18
167.1591034	0.13
169.0496826	1.63
170.9978638	0.67
172.9859009	0.41
175.303894	0.37
177.019104	0.99
179.0754395	1.28
183.0311279	2.53
185.125824	1.23
187.7342224	0.07
188.7796326	0.13
189.3997803	0.45
190.1182556	0.16
190.9539185	0.24
191.9920044	0.59
193.0840759	0.22
195.1040955	1.01
197.0731201	3.98
199.2258606	0.15
201.1953125	0.90
203.1145325	0.57
204.901947	0.41
206.5291443	0.46
207.35849	0.81
209.2815857	0.90
211.2633362	2.43
213.228363	1.78
214.7857056	0.07
217.2891846	0.25
219.3263855	1.44
221.257782	1.77
223.2781067	0.35
225.2003174	1.22
227.1755066	1.99
233.1526794	0.58
235.236969	0.44
237.2036438	5.53
239.2364197	8.16
240.2218018	0.25
241.2105408	0.61
241.9074402	0.16
243.1555481	1.81
251.2729797	3.11
252.2545776	0.16
253.3860779	0.54
255.2733459	2.73
256.1124268	0.23
257.1346436	0.88
257.9772339	0.48
261.2090149	3.89
262.1056824	0.42
269.0952759	0.92
279.2271729	100.00
279.881897	0.44
281.2887573	0.67
282.1868591	0.10
288.1921692	1.64
297.1503906	1.16
298.1483154	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	269.21
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
76.86955261	0.41
78.99100494	0.53
80.96760559	1.75
84.90994263	1.65
94.93525696	2.52
97.09669495	3.71
98.02597046	0.40
99.11854553	0.44
100.9093552	1.28
103.0212402	0.46
107.0839386	0.45
109.0781555	1.99
110.1589966	0.14
110.8694	1.06
116.7927094	0.73
119.2276306	0.66
120.9237671	1.27
123.0995026	3.88
124.9572449	1.04
126.1975098	0.32
128.8863525	0.81
130.2485962	0.72
131.0363312	1.05
133.1844635	0.57
134.041214	0.53
135.091629	2.62
136.3416748	0.26
137.1227875	1.73
139.0906067	2.59
140.9685516	1.76
143.161438	0.85
145.2954559	0.50
147.0523071	2.91
148.9332886	0.51
151.0182343	0.17
153.0440521	1.96
155.0639496	4.38
157.0548248	1.18
158.2155609	0.66
158.9888153	0.46
161.0656586	1.41
162.1659088	0.49
163.0638123	0.26
167.0050507	0.32
169.058609	3.23
171.0501709	3.43
173.2099152	1.52
174.141861	0.99
175.1110382	0.30
176.9737091	1.43
179.2109985	0.51
181.3103333	1.54
181.9956055	0.28
182.9022675	2.51
184.1464386	0.17
185.2151031	1.58
187.0281525	2.73
187.7804108	0.36
188.5849609	1.23
189.2505951	0.54
191.0633087	2.21
192.1588593	0.15
193.2775574	1.92
194.9452362	1.62
196.2514191	0.43
197.1368866	3.05
198.1115875	0.61
199.2058868	1.23
200.3568573	0.95
201.434494	1.03
205.1439362	5.21
207.2242279	0.85
209.2123871	8.33
210.4558563	1.30
211.2186432	5.22
212.3473969	0.34
213.24617	3.80
215.1121368	3.52
221.0564117	0.26
222.1289368	0.28
223.1507416	10.11
224.6333618	1.47
225.3494415	3.25
226.1779327	0.59
227.1309357	5.59
228.8672943	2.71
233.2111359	9.72
234.2435455	0.27
237.732605	0.96
239.1178436	1.42
241.1708832	3.90
242.1190796	1.27
243.1019287	0.41
245.9271088	0.48
251.206604	100.00
252.1717072	2.88
254.3691864	0.32
255.1701508	0.25
257.1347046	0.87
260.2018433	1.93
260.8859253	2.52
269.3518066	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	252.09
Annotation	N-Carboxyacetyl-D-phenylalanine
Peak:m/z	Relative Intensity
62.7845993	0.25
87.1844482	0.14
95.2013550	0.10
101.9550476	0.23
107.9321136	0.10
113.0452728	0.22
115.9327240	0.10
116.8662415	0.35
118.1782532	0.28
120.0312805	0.23
129.1600800	0.09
134.0752869	0.67
135.2062378	0.12
135.9270325	0.43
137.1121521	0.14
137.9612274	0.39
146.0787506	0.12
150.0923004	0.29
156.1316681	0.16
160.1940460	0.14
162.4988251	0.39
163.9064789	0.14
172.0619659	0.08
174.6049957	0.26
176.0482330	0.21
178.0884399	0.11
180.0758514	0.30
181.1292267	0.22
183.5043488	0.07
184.8244476	0.41
190.2057648	0.23
191.1885376	0.09
192.1637115	0.89
193.2862396	0.06
196.3522644	0.26
199.3039246	0.14
204.0302582	0.73
206.0380096	71.83
207.1341553	0.71
208.1963959	0.61
211.0918732	1.98
214.9951324	0.26
216.2803192	0.49
220.7115021	0.12
222.2354279	0.14
223.3057861	0.18
224.1993713	1.36
228.8629150	0.34
234.0274506	100.00
234.9533691	0.41
238.1510468	0.56
251.9887085	0.23
253.2894897	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
93.07588196	0.62
100.9172058	0.36
103.0996857	0.72
107.0442886	0.34
108.9541321	0.85
111.0388031	0.99
114.874054	3.11
115.9792175	0.34
117.0592346	1.19
119.0639191	0.42
121.0943756	1.15
122.0050659	0.23
123.2378998	0.60
125.0801697	1.29
126.8672333	1.54
128.9700317	0.36
130.7969666	0.17
132.8620605	1.30
135.1277466	0.42
137.0388184	1.26
139.0662994	0.43
143.0103455	2.45
147.1793518	0.45
149.0232849	1.13
151.1777496	0.90
153.083252	3.07
154.1531372	0.77
155.1278381	0.56
156.9129791	2.23
159.1286011	0.63
163.1900024	1.17
164.8540039	1.33
166.7674561	0.36
169.1492004	1.44
170.1658783	0.21
171.0632629	0.41
173.2913971	0.18
174.0839233	0.64
174.9898071	0.44
177.2300415	1.55
179.0829926	0.36
181.0635376	2.01
183.2066498	1.03
184.0720825	0.58
185.3832703	0.75
187.0871277	0.84
191.0429382	0.50
193.3110046	0.78
194.1862793	0.42
194.9700012	2.59
197.1260986	2.73
199.1738586	0.92
200.0740204	2.18
201.5623627	0.42
203.230957	0.43
205.081604	0.63
209.1299133	1.71
210.2493591	0.72
211.0998535	0.91
212.6275024	0.95
215.2330933	0.53
217.502594	0.62
219.1798096	0.42
220.8737488	0.45
223.0986938	1.96
225.2140198	3.23
227.2566528	0.29
229.2217407	1.65
230.3320618	1.65
233.0189819	0.44
235.383667	1.80
236.1138	0.31
237.0966492	0.82
239.2537842	1.99
241.3130493	2.51
243.3695984	0.72
247.2474365	1.58
248.381897	0.72
249.2381592	0.58
250.3857117	0.49
251.2022095	2.43
253.0059204	8.95
254.4353027	0.30
257.2008057	2.00
260.8262329	0.34
264.005249	0.37
264.9550781	1.28
267.0653381	3.16
269.1095276	2.13
270.2109985	2.06
273.2661438	0.56
275.2629395	14.29
279.0995789	0.27
283.2843628	6.41
284.1864929	0.79
288.090332	0.19
290.0170898	0.62
290.9428711	0.51
293.2106018	100.00
294.2706909	2.29
294.9685669	0.89
296.1182556	0.68
298.7938843	1.93
302.2926331	0.94
303.0900879	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	413.14
Annotation	N6-Carbamoyl-L-threonyladenosine
Peak:m/z	Relative Intensity
118.3037338	0.15
120.0387039	0.20
143.0463104	0.32
162.0265808	1.05
164.1309204	0.47
176.1009521	0.44
178.9464722	0.21
191.2687988	0.30
205.1660919	0.21
208.1086273	0.24
215.4640198	0.13
219.2450867	0.54
220.1855164	2.10
221.0401611	0.43
227.1995392	0.16
231.4101562	0.48
237.2677917	1.47
238.2177124	4.85
239.2593689	0.28
247.6189270	1.09
250.4087830	0.49
251.1760864	0.67
255.2460022	1.29
256.2061462	2.10
263.2425842	0.27
268.1027527	4.57
271.3127136	0.16
281.1282959	100.00
286.4736023	0.48
294.1505737	1.16
297.3738708	1.14
301.1685791	0.10
316.1523743	0.57
317.4764404	0.86
334.2499695	2.72
335.3874512	0.39
354.8052979	0.39
355.7276001	0.52
367.1141052	1.79
371.8453979	0.25
376.7488708	0.29
384.4312744	0.23
392.8385925	0.68
394.3854065	13.87
395.3140259	6.19
404.5657043	0.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	736.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
213.1515350	0.04
213.9573669	0.12
215.0815430	0.17
215.8147736	0.02
225.9824524	0.26
231.0022430	0.02
232.1829071	0.30
233.2704468	0.05
248.9010010	0.02
250.3269348	0.04
256.1391602	0.11
272.2076111	0.04
272.9990845	0.22
273.9852905	1.95
275.0705566	0.29
285.9218750	0.03
288.2551880	0.10
292.1105957	0.67
304.1951904	0.34
316.1114502	0.03
334.1161804	0.29
335.3330078	0.02
346.3439331	0.03
352.0726318	0.23
374.2138062	0.02
376.1226807	0.69
393.1428223	0.83
394.2059326	2.89
395.2611084	1.84
396.1488037	0.09
412.0773926	2.11
413.1361084	0.02
426.1773071	0.05
436.2278442	0.04
452.2262573	0.59
454.1822510	100.00
456.0870361	0.02
466.1864014	1.19
467.9596558	0.08
480.2637939	0.03
483.5952148	0.10
484.2014160	1.68
496.2865601	0.85
508.3070068	1.14
514.2457275	4.36
515.2756958	0.02
520.5068970	0.04
526.2630005	0.11
529.2065430	0.03
538.2509766	0.58
544.2206421	0.10
554.3359985	0.09
556.2218628	28.42
556.8345947	0.06
557.4558716	0.06
565.0264282	0.02
572.1736450	0.66
574.1739502	61.73
575.1840820	0.03
576.3339844	0.03
601.2083740	0.08
603.5239868	0.12
614.1163940	0.03
616.3518066	0.15
628.4799805	0.04
641.8705444	0.05
645.3154907	0.01
646.4871826	0.15
658.4719849	0.05
670.4107666	0.04
675.5844116	0.03
676.2897949	0.08
686.3870239	0.24
689.8766479	0.31
699.5432739	0.02
712.9546509	0.24
717.2377930	0.03
718.2866211	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
84.75367737	0.06
92.86228943	0.06
94.99186707	1.84
96.98657227	1.35
98.8098526	0.55
105.0735474	0.22
106.9715118	0.36
109.0502853	2.02
111.057518	0.32
112.9577637	0.80
119.08461	0.05
120.9754028	0.41
123.1490631	2.47
124.4176636	0.05
125.118576	0.69
126.3727188	0.31
127.1123962	1.04
128.9201965	0.15
131.0309143	0.18
132.9421539	1.10
135.0748901	1.93
136.9533386	1.26
138.9585571	2.41
141.0074158	0.30
142.9039001	0.11
145.0749817	0.17
147.0856628	0.37
149.0965271	0.32
151.1824951	0.64
153.0341797	1.09
154.9084473	0.52
157.0800781	0.13
159.1848755	0.10
161.0073547	0.29
163.0983582	0.38
165.1879272	0.56
167.0776978	1.06
169.084198	1.21
171.2331696	0.36
172.8504639	0.69
175.1848755	0.78
177.2565308	0.56
179.1467743	0.82
181.277298	0.58
183.1679535	3.17
185.1328125	0.91
187.2331543	0.27
189.5072632	0.10
190.8647003	0.41
193.1314087	1.05
195.1087036	0.76
197.12146	4.25
199.2146301	0.67
201.0498352	0.47
203.3830261	1.09
206.0332031	0.16
207.1904602	0.96
209.0396423	1.28
211.2733154	2.04
213.2679443	2.30
215.0426941	0.53
219.175354	1.74
221.2220154	2.14
223.33255	0.51
224.1072083	0.36
225.1772461	1.64
227.2781067	0.89
229.230072	0.36
233.1748657	4.19
234.1839294	0.15
235.3126526	0.08
237.2366028	4.03
239.2561035	11.04
241.31604	0.61
243.2030029	1.91
251.2212524	6.25
252.230835	0.09
253.1530151	0.74
255.2719116	2.19
256.6137695	0.55
257.2357178	1.64
261.3701477	5.61
262.2279358	0.22
263.4163818	0.16
265.5462036	0.49
267.4009399	0.33
269.2664795	0.51
271.2306519	0.71
279.223114	100.00
280.1725464	0.59
281.0483704	0.14
288.2605286	0.56
297.210022	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	551.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0172577	0.64
175.1115112	0.16
177.1533203	0.05
191.0662231	0.12
209.0801392	100.00
209.6923523	0.09
306.0194092	0.15
341.2560425	0.08
504.3251953	0.08
533.2669067	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	470.76
Annotation	Unknow
Peak:m/z	Relative Intensity
286.8233948	0.04
292.9053345	0.41
294.9486694	0.84
296.1142883	0.04
296.9496155	0.58
302.8872681	4.86
308.8493652	0.17
372.7436218	0.08
386.7551575	100.00
387.4209900	0.13
460.8680725	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	501.13
Annotation	5-S-glutathionyl-L-DOPA
Peak:m/z	Relative Intensity
189.9405823	0.26
209.3367920	0.08
224.0583191	0.11
272.2861938	0.11
277.3440857	0.84
284.2146912	0.05
295.0862427	0.08
297.1338196	0.12
298.2148438	0.10
307.2142944	0.05
314.8478088	0.14
328.2940674	0.47
338.3843994	0.24
339.3877563	0.17
351.2641602	0.10
352.2666016	0.08
354.2992249	0.05
357.2043457	100.00
359.0364990	0.18
361.2299500	0.05
371.1376953	0.43
381.2398376	0.19
397.5600891	0.27
399.2790527	7.85
403.3471680	0.32
405.1755066	0.06
411.4147034	0.18
413.3710632	0.32
416.4802246	0.10
417.2125854	0.05
424.5556030	0.20
425.6716003	0.12
439.3057556	6.13
441.0900879	0.10
443.3111877	0.08
454.3811951	0.12
455.4449158	1.54
456.4914246	0.21
457.2623596	0.71
458.5888672	0.11
469.2584534	0.11
470.8303528	0.10
471.4871521	0.23
473.9809265	0.05
480.2872925	0.10
483.2800903	1.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	553.16
Annotation	Myobontioside B
Peak:m/z	Relative Intensity
160.9930267	0.06
169.2380219	0.05
179.2042999	0.06
199.0010376	0.07
202.7883606	0.06
210.0099487	0.11
215.2136536	0.06
235.3695526	0.06
236.9713135	0.15
245.2463531	0.07
252.7447052	0.20
259.0673828	0.04
269.2013245	0.21
271.0098877	0.10
289.0915527	0.09
297.5841064	0.17
307.0986328	0.06
325.5994263	0.14
345.3623657	1.25
378.0580444	0.08
386.5675659	0.12
390.3978882	0.07
395.3421631	0.06
407.6548462	0.07
423.2631836	0.04
431.4678345	0.10
440.0101929	0.06
445.2860718	100.00
446.5946045	0.16
447.4141846	0.33
451.6521606	0.08
456.2310181	0.07
461.4230347	0.35
463.3525391	0.07
464.4537354	0.11
467.7402344	0.14
468.9909058	0.03
506.3881836	0.82
507.2714233	1.25
508.5377808	0.73
509.1644897	0.20
514.3796997	0.21
515.2267456	0.05
516.0950928	0.16
517.2105103	0.55
521.3870850	0.04
525.1288452	0.36
534.3901978	0.06
535.3331909	1.06
543.3079834	0.09
552.5366211	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	321.1552
Annotation	Butyl (S)-3-hydroxybutyrate glucoside
Peak:m/z	Relative Intensity
95.0452728	0.12
97.0206604	0.12
99.0668640	0.07
101.0226212	2.46
106.9970779	0.03
108.9433594	0.22
110.9983597	0.32
113.0449219	9.24
113.9356079	0.82
114.5986176	0.03
117.0548401	0.12
119.0355377	2.69
119.6769257	0.06
123.0287476	0.05
125.1546936	0.10
126.0311890	0.09
128.8593750	0.17
131.0269928	1.34
131.9485321	0.06
141.0668335	2.99
143.0024719	2.17
144.1380310	0.13
147.0334930	0.06
149.0321960	0.19
155.1215973	1.78
156.2133942	0.09
157.2131653	0.85
159.0820465	100.00
160.1123962	9.56
161.0459290	0.93
162.0019379	0.04
167.2990417	0.18
169.0367432	0.07
170.1191101	0.05
172.9853363	0.61
173.9895630	0.15
179.0507202	1.17
183.0585022	0.24
185.2103271	0.05
186.2066040	0.28
187.0557251	0.11
191.0746002	0.31
192.0307159	0.04
197.2591553	0.18
201.1523743	5.24
202.1910400	0.94
204.3659973	0.40
205.1403198	0.16
213.2084045	0.91
214.2193604	0.05
217.3062134	0.06
224.0806580	0.07
224.9040833	0.17
226.0034485	0.06
226.8815308	0.04
231.1535645	0.70
231.9199219	0.16
233.1845398	0.36
234.1206360	0.27
235.1796265	0.04
239.0912781	0.05
244.4158020	0.04
245.0844727	0.05
248.3679810	0.12
261.0284424	0.27
264.2353516	0.15
275.1311035	0.19
275.9865112	0.13
277.5460205	0.18
278.1965942	0.73
279.1813049	0.21
283.1262207	0.28
284.0886230	0.24
285.3952332	0.07
286.0199890	0.73
287.0511780	0.04
291.9120483	0.09
294.2494507	0.16
302.2930908	0.11
303.4575806	0.23
304.1662292	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
91.03678894	0.23
95.05060577	0.84
106.9393921	0.41
109.1473999	0.25
113.1138	0.23
122.8625336	0.81
124.8503952	1.16
127.0642471	0.32
131.079071	0.31
132.9802551	0.62
135.126709	1.75
137.1014709	1.23
138.7140198	1.57
139.3726501	0.28
140.874115	0.17
143.0733032	1.91
146.9534912	0.93
149.1260986	0.89
150.9492645	1.05
153.0617065	1.56
154.9990082	0.53
157.0371094	0.89
159.0363617	0.12
161.187561	0.61
163.1971588	1.48
165.15242	1.37
167.1991882	1.40
169.2043762	0.93
171.1697693	0.24
175.141861	0.45
177.0674133	1.37
179.1052246	0.33
181.1259003	3.09
183.0282135	1.91
185.2714844	0.16
191.3028107	0.22
193.980835	0.36
195.1835327	1.10
197.0900574	1.56
198.2141571	0.38
199.2351379	0.32
201.0307312	1.97
203.0859375	0.47
205.2093506	2.87
207.0270386	0.39
208.9773865	0.93
211.0932312	1.41
213.1971741	1.02
214.8534851	0.84
216.7647705	2.18
219.2648926	0.37
220.2026978	0.26
221.1190186	1.32
223.2254944	1.30
227.13797	1.40
228.2814636	0.24
229.049408	0.56
231.4046326	0.52
233.4811707	1.48
235.2947693	1.18
236.3582153	0.20
237.2980042	0.29
239.2828064	0.48
240.504425	0.95
241.3083801	0.43
247.1792603	3.05
249.0236206	1.37
251.2275085	1.26
252.1642151	0.11
253.2173462	6.12
254.2796021	0.34
255.2641602	0.74
257.2007751	0.75
265.2632751	4.03
266.0244446	0.24
267.1826782	1.65
269.1509705	2.88
270.0540161	0.81
275.2759399	11.96
276.1004944	0.18
279.2224731	0.28
281.2049866	1.41
282.2880859	1.30
283.3279724	6.22
284.5628662	0.59
287.0386658	0.25
288.0914917	1.22
289.3179932	0.32
291.0677795	1.47
293.2020264	100.00
293.8599548	0.47
302.0520935	1.94
310.4014282	0.19
311.3491516	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	789.32
Annotation	Phalloidin
Peak:m/z	Relative Intensity
222.0832672	1.12
240.0082092	0.99
247.2705383	0.60
253.3008118	0.83
255.671524	0.54
261.1307983	0.70
263.2754822	0.99
267.2095337	1.01
269.1865234	4.21
278.1845398	1.09
295.1786804	2.45
296.3776855	0.65
299.3427734	2.07
309.3574524	7.68
312.9635925	7.28
316.263855	0.70
321.2816467	1.12
339.4381714	0.83
342.0137939	1.88
353.2255859	5.91
357.3908081	1.89
368.148468	0.67
387.4197998	0.59
397.1032104	2.36
401.1130981	2.36
441.2559814	2.47
453.4403687	0.75
473.4782715	0.60
485.2139282	1.51
489.7913208	0.44
496.4432373	2.57
510.6069946	1.54
533.5616455	2.68
535.194458	1.77
542.2168579	4.85
552.4052124	0.81
556.4730225	0.80
566.4262085	1.22
577.4453735	2.56
612.8093262	1.85
618.6409912	0.70
621.4977417	3.80
624.5976562	1.26
639.4425049	3.59
644.6365967	0.67
647.2216187	0.64
665.9311523	0.55
683.6707153	2.25
714.677002	2.83
727.2572632	7.96
740.729187	1.46
752.8873901	1.62
753.8964233	1.99
754.8477173	0.78
771.3200073	100.00
772.5720825	19.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	727.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
217.1178741	0.51
223.2981567	0.24
258.6585083	0.04
259.3225403	0.25
265.3768311	0.04
267.1460571	0.06
285.2557068	0.32
290.7744446	0.24
301.0133057	0.04
303.1531372	4.05
309.2736206	0.08
321.1791992	5.30
327.1069946	0.21
342.1778564	0.03
345.1843262	1.80
347.1942749	0.06
363.3087769	0.23
384.4849854	0.04
387.1627808	8.46
398.2100830	0.11
405.2305908	6.69
434.3521729	0.17
451.9918823	0.14
462.6524048	0.07
465.3820801	0.09
493.0703735	0.08
503.2780151	0.07
521.2502441	0.67
524.3703613	0.21
538.4515991	0.10
539.3945923	0.03
546.8710327	0.08
551.2467041	0.42
554.5493164	0.09
558.5945435	0.09
563.3175049	1.76
564.3178101	0.07
569.4027710	0.34
581.2283325	2.21
623.2804565	14.27
635.2182617	0.03
637.3959961	0.25
645.5922852	0.05
649.4198608	0.10
653.4580688	0.09
664.4288940	0.03
665.3154907	0.26
667.5160522	1.28
675.5761108	0.45
683.5570068	0.03
685.3536377	2.24
688.6112061	0.15
696.4766235	0.08
705.0424805	0.13
709.3916626	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	205.0965
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
118.0639038	0.02
126.9754486	0.01
132.0463867	0.09
144.8683929	0.03
158.9239655	0.10
181.8372650	0.03
188.0515594	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	274.2
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
80.9174957	0.06
82.8810959	0.02
83.8343506	0.02
90.9184952	0.02
94.9724503	0.11
95.9205627	0.06
98.0412826	0.01
99.1820145	0.07
104.7985306	0.03
109.0224533	0.02
111.3146820	0.03
112.1330414	0.02
115.1532135	0.01
120.9768219	0.07
123.3489532	0.01
124.0081329	0.03
125.2855988	0.01
129.2499084	0.06
130.1246338	0.02
132.2581787	0.02
132.9331665	0.02
135.0054016	0.07
136.3788757	0.02
137.1702576	0.02
137.9277649	0.02
139.0375977	0.07
140.3711548	0.02
142.0904236	0.02
142.9679260	0.11
144.1412048	0.10
144.9335632	0.14
146.1735229	0.01
147.1120911	0.08
148.0409088	0.02
149.1023254	0.06
152.1058044	0.01
153.1302338	0.03
153.7488861	0.05
155.2286987	0.05
155.9897614	0.01
156.9305420	0.04
159.1119385	0.02
161.2637329	0.06
162.9942017	0.17
164.8678284	0.04
165.8861847	0.03
167.1305695	0.07
168.0133667	0.01
169.1724243	0.02
170.2554016	0.03
174.1721497	0.02
175.1227112	0.11
179.1117401	0.04
180.4185791	0.05
182.2192230	0.04
185.1536560	0.17
188.1266632	0.02
188.9655304	0.12
190.3163300	0.02
191.0105591	0.02
192.2105865	0.05
194.2256775	10.78
196.2296753	14.55
198.3312073	0.02
200.2741394	0.11
201.1896973	0.04
202.6940918	0.06
203.3077087	0.10
210.3463440	0.19
212.2326355	9.84
214.2664490	15.06
217.2878723	0.07
218.2392578	0.03
220.2231750	1.46
221.4816284	0.05
226.2163391	0.01
228.0666809	0.76
228.6794739	0.02
229.3060913	0.02
231.1955872	0.03
232.9479370	0.56
238.2480469	4.59
239.1026611	0.02
246.3093262	0.26
247.0664368	0.02
249.2336121	0.09
251.1144104	0.11
253.4700928	0.12
256.2418213	100.00
257.4096680	0.17
260.8695984	0.05
264.6743164	0.32
265.6195374	0.47
273.8724976	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	491.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
168.0488586	0.08
175.2580109	0.07
177.3295288	0.23
178.0955505	0.04
179.3590698	0.13
187.1853027	0.05
190.6302795	0.05
192.2807617	0.06
195.3329010	0.35
198.4365234	0.08
199.2542419	0.05
203.2546082	0.12
208.9439392	0.10
210.1834412	0.40
215.2780914	0.04
218.4998474	0.34
219.7219849	0.12
234.2618103	1.26
235.1439362	0.74
236.2144623	15.55
237.3327026	2.48
239.2791138	0.05
252.2207794	0.16
254.2308350	100.00
255.3179016	14.81
296.4662781	0.21
306.1844482	0.05
344.5148315	0.04
346.0667725	0.11
374.2925415	0.03
375.2712708	0.04
405.4485779	0.55
432.4306030	0.13
446.4498596	0.09
456.3269348	0.24
457.3924866	0.30
469.1001587	0.16
474.5066223	0.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	494.323
Annotation	PE(19:1(9Z)/0:0)
Peak:m/z	Relative Intensity
184.0880127	32.38
191.3638611	0.14
199.2812195	0.08
211.3427887	0.15
214.6764526	0.13
227.2559509	0.08
231.0168457	0.32
240.1198425	0.11
240.9248047	0.11
248.4955750	0.09
251.0172119	0.14
257.9352722	0.57
260.8175659	0.20
273.2093201	0.42
300.0757446	0.11
303.1621094	0.31
311.4994507	0.30
315.5063477	0.07
321.4201965	0.13
328.3770142	0.18
342.4389954	0.20
372.5415955	0.24
377.4867859	0.10
401.3979797	0.12
404.0165710	0.17
406.1420593	0.09
421.6516113	0.20
429.2016907	0.09
430.5564270	0.44
433.4090271	0.30
445.4572449	0.06
450.5319824	0.17
458.4650574	0.15
476.4591675	100.00
477.5605164	0.08
490.9513855	0.10
494.0158081	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
92.89707184	0.90
95.04032898	0.17
101.0173645	0.40
106.9081573	0.36
107.9172058	3.25
109.0473022	8.06
119.1043243	0.24
121.0541763	1.49
122.9616547	2.67
126.1426849	0.40
131.1348267	0.17
133.0134583	0.45
134.1591492	0.31
134.9377136	0.35
136.9777832	0.49
145.140625	0.60
148.9108887	0.34
151.0549927	5.69
152.030304	38.38
153.0160522	100.00
157.7155762	0.24
159.2089996	0.45
161.143219	0.30
162.992157	10.14
165.0025635	13.37
177.0360718	1.66
178.9370575	1.55
181.0671082	4.58
189.1713257	0.75
190.9721069	0.31
193.0512085	2.13
195.0158997	4.30
196.2192383	0.16
198.9670868	0.19
199.9760132	0.34
202.1805878	0.46
207.1210938	5.68
213.1502991	0.17
215.1196289	0.74
217.0257263	0.29
218.8635559	1.09
221.1680298	0.16
222.9893799	1.26
224.0193176	0.59
225.1161194	7.51
227.0733948	0.33
234.4507446	0.21
236.0840149	0.19
237.1100159	1.21
242.3621826	0.68
243.2209473	0.53
249.265686	0.53
251.2484741	0.20
254.3707275	0.33
255.2892456	0.20
262.2510376	0.14
267.3782959	0.32
269.1324768	1.28
270.2119141	0.39
271.3085327	1.29
272.9538574	0.21
279.1018677	0.15
281.2435608	0.34
286.2673035	1.39
287.2963257	0.11
295.145813	0.38
296.2973633	0.12
297.2821655	1.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	382.1694
Annotation	Trans-Zeatin-9-glucoside
Peak:m/z	Relative Intensity
130.7937164	0.46
151.1502228	0.50
157.134613	0.30
162.4793396	0.84
166.2893372	1.86
169.1539001	0.35
174.8668823	0.58
185.090332	0.32
189.0125732	0.28
201.2405548	0.29
202.2731781	1.85
203.0879974	2.88
205.0955048	0.65
209.0568695	0.67
217.3542328	0.57
220.1180267	100.00
221.1729431	77.47
223.4239197	0.84
231.2026062	0.38
233.2152405	0.46
234.7233276	0.44
238.3034668	1.33
256.416626	0.93
261.4429932	0.54
269.5991211	0.71
275.9154053	0.95
277.344696	0.62
284.1382446	0.43
285.1972046	0.72
293.3119202	0.49
294.5065308	0.80
295.2264404	0.89
299.2646484	0.44
302.0533142	1.73
302.9475403	0.68
308.516449	0.34
311.0550842	1.63
313.0004883	0.69
318.0775146	1.06
321.2296143	1.12
337.0363159	3.88
341.0787964	1.40
342.0844116	1.97
345.2764893	0.57
347.2446899	2.91
355.1827393	2.92
362.8018494	2.66
364.4461365	5.51
365.2087402	10.47
366.341156	1.39
367.4584351	0.53
373.862854	1.60
377.3088074	1.04
382.5594788	0.45
383.1847229	0.41
393.1895142	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	171.02
Annotation	Unknow
Peak:m/z	Relative Intensity
88.8644943	2.12
93.8098755	2.08
153.9489136	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	434.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
129.0014343	0.03
141.1504364	0.08
151.1106110	0.26
152.0292053	0.01
163.1421509	0.04
172.0909424	0.03
174.2067261	0.07
174.9503479	0.02
181.1874084	0.02
195.7747803	0.02
196.9094696	0.05
199.2304382	0.09
203.9937439	0.02
205.3597412	0.03
207.3974609	0.02
208.1108704	0.08
218.3318176	0.37
219.0495605	0.04
220.2089233	0.04
224.2877197	0.17
235.2122803	0.05
236.2427368	0.31
237.3995361	0.13
238.2490540	0.57
241.2548218	0.03
244.1472473	0.05
251.1614380	0.06
252.3170471	0.05
254.1821289	1.15
255.2550354	0.13
256.3813477	4.15
259.2426147	0.04
269.1490479	0.02
272.2315674	100.00
272.9070740	0.26
273.7550964	0.02
279.2434998	0.03
280.2715149	0.02
281.5032959	0.02
283.2136230	0.11
284.3768005	0.18
287.1803589	0.05
290.0273438	0.08
293.3587646	0.09
298.5466309	0.07
302.5028076	0.07
303.3105469	0.16
306.0247192	0.17
308.4349670	0.06
312.8489990	0.14
313.4940186	0.05
314.5111694	0.43
316.2864380	0.05
317.3113098	0.03
318.5679932	0.03
326.3077087	0.05
335.9733276	1.24
336.8954468	0.05
338.0751343	0.11
343.7785034	0.07
344.6604614	0.19
345.3398743	0.16
346.4886475	0.03
348.3923645	0.02
352.3192749	0.12
353.9279785	0.38
354.5422974	0.09
358.5991211	0.05
363.4599915	0.02
372.2740479	0.17
374.3188782	0.18
375.6740723	0.10
387.2294922	0.04
389.0187073	0.14
389.6405640	0.11
398.3432617	0.37
399.3763733	0.04
415.4528503	0.47
416.3449097	4.55
417.1945190	0.31
419.6029358	0.14
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
81.86551666	0.07
83.10894775	0.18
94.96054077	0.04
98.06535339	0.06
102.921936	0.12
103.9342804	0.17
105.0286255	0.23
107.1652832	0.06
109.1395569	0.07
112.2636414	0.07
112.9171448	0.08
118.9338989	0.07
121.0997009	0.18
125.9304504	0.05
128.9794769	0.59
129.8826904	0.64
135.2237396	0.13
140.0458679	0.03
141.0932922	0.04
142.3201752	0.17
144.0235138	0.08
147.0445404	0.04
150.9448395	11.26
151.9838409	4.22
153.1476288	0.45
155.0166779	0.18
156.8977661	0.05
158.180481	0.18
162.0098877	0.29
163.1833801	0.14
167.1339264	0.33
168.1519623	0.58
168.9300079	0.23
169.8787537	0.28
171.1197662	0.12
172.0838165	0.12
176.087616	0.56
179.1328278	0.26
180.0858917	0.14
180.7568207	0.14
182.0506439	0.24
183.1664886	0.63
184.2776337	0.13
185.1174927	0.40
186.0598907	0.10
190.0800018	0.08
193.1998138	0.14
194.1566315	0.24
196.0371704	0.16
197.2333374	0.13
198.1917725	0.49
199.0064697	0.14
200.1369781	0.12
206.1892242	0.11
207.0543823	0.17
208.1051483	0.05
210.1230011	0.51
211.0726471	0.45
212.2879181	0.43
213.102829	0.40
217.0986938	0.27
218.0844421	0.48
224.0708618	0.09
225.1470184	0.91
226.1122589	1.08
227.229599	0.11
235.2095795	0.37
236.1579437	1.71
237.4498749	0.17
238.1489868	1.87
239.2141724	2.25
241.8115082	0.04
245.1890259	0.04
251.1137695	0.56
253.0796356	100.00
254.1843262	8.49
255.2005615	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	224.19
Annotation	Unknow
Peak:m/z	Relative Intensity
81.1010895	0.38
98.0560913	0.49
99.0287476	0.32
106.9279022	0.17
111.0574951	0.21
123.0819855	0.30
131.9927521	0.68
146.0825958	1.02
149.0513306	0.34
149.9295654	0.58
154.2559662	0.44
159.0914307	0.43
160.3729706	0.26
163.0383911	0.25
164.0438995	1.78
166.3018036	0.35
175.1964264	1.29
176.4420013	0.71
178.0562592	2.99
182.8998871	29.22
188.2274017	0.98
188.9977264	0.25
193.1033783	0.58
194.2200165	0.58
195.9739685	2.23
200.8610382	1.86
206.2620392	12.68
207.1221771	100.00
208.0212860	1.17
212.9501038	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2882
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
129.0875244	4.56
137.1074524	6.95
139.0718536	5.35
140.1596832	4.81
143.8865814	5.17
157.3031921	5.99
172.7940674	4.53
200.3000183	5.70
205.500061	17.72
209.1046143	4.02
218.9388123	2.68
221.3937988	4.35
225.3272552	6.42
243.3635254	4.28
251.3708801	9.56
256.4487915	4.39
265.293457	6.40
267.1441345	7.73
269.1420288	13.97
271.4115295	3.47
273.263031	15.54
280.5673218	18.20
281.5077209	8.91
282.2292786	6.84
288.2640076	11.32
293.1946106	13.74
295.0714417	14.49
299.7958984	8.18
306.0264587	2.94
312.157135	2.41
314.4482117	4.37
319.6315918	4.53
325.9876404	3.87
328.3532715	6.78
332.4285278	5.62
335.4863281	4.98
336.37323	2.94
340.5065613	6.15
353.6696472	8.00
358.7610474	5.98
359.4461975	6.50
362.1446838	3.50
365.3482361	3.48
366.7131042	6.40
380.2269897	17.83
381.5465088	6.51
385.3183289	4.93
389.1351013	4.01
390.6275635	5.43
391.2362976	4.90
395.2402649	4.93
396.3735046	3.73
403.8773804	14.76
407.155365	24.11
408.2715759	100.00
425.7270203	4.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	238.02
Annotation	Unknow
Peak:m/z	Relative Intensity
153.9884491	100.00
182.2159119	0.03
192.0104218	0.42
193.0419006	0.12
193.9242249	0.63
208.1511078	0.06
210.0836182	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.242
Annotation	18-Hydroxyoctadeca-9Z,12Z-dienoic acid
Peak:m/z	Relative Intensity
84.81594849	0.40
93.103302	0.18
95.05861664	2.08
96.99153137	2.63
98.28756714	0.68
98.96442413	0.59
107.0097351	0.28
108.9230194	3.79
111.0245743	0.38
112.097908	0.47
113.0507202	0.50
119.0281372	0.27
121.2388306	1.47
123.1175385	3.11
124.9929657	0.73
127.2368622	0.28
130.7956238	0.16
132.9593658	0.56
135.1126099	1.10
137.0330811	0.98
138.1312256	0.23
138.9326477	9.39
143.1097717	0.35
147.1487274	0.81
149.0740051	2.10
151.0569763	0.87
153.0838623	0.93
154.7018127	0.18
156.858429	0.39
160.9964447	0.94
163.0571747	0.51
165.1442719	0.75
169.1322937	1.04
171.1413879	0.47
177.3543243	0.47
179.2171936	0.88
181.1540527	0.69
183.2151489	0.69
184.895813	0.98
187.3315735	0.74
195.0957794	0.52
197.0779724	9.62
199.0387268	3.66
201.3084717	0.58
203.2853699	1.37
205.5339966	0.45
207.3719482	0.70
209.2509155	0.91
211.0378418	1.97
213.1993713	1.62
219.3014832	0.13
221.1687927	4.97
223.0328979	0.45
225.1379395	0.97
226.9710693	0.42
233.0407104	0.51
235.2827759	1.30
237.3183899	3.77
239.1844788	20.42
241.077179	0.22
243.1004028	1.88
251.3489075	0.34
253.2467041	3.77
255.2202759	4.53
256.3651428	0.98
257.2514038	0.85
261.3320923	4.59
268.7539673	0.23
269.3987427	0.45
279.2225952	100.00
280.1062012	0.19
280.9983521	0.84
287.786377	0.87
297.3164368	1.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	316.84
Annotation	Unknow
Peak:m/z	Relative Intensity
218.2401428	0.05
221.0546265	0.23
232.9978943	13.43
270.9074707	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1402.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
399.4613037	0.19
403.3158875	0.90
426.3273926	0.15
437.1485291	0.18
457.6518860	0.80
482.6791992	0.61
490.6173401	0.45
491.4942932	0.29
500.1043701	0.76
507.6096497	0.43
508.6674805	0.23
509.4744873	0.77
515.2366943	0.52
527.4334717	0.53
553.5138550	0.46
554.4002686	0.48
569.2956543	1.08
573.0401001	0.18
587.4381104	4.83
588.5603638	1.25
596.3930664	0.22
603.5956421	0.16
606.6839600	0.34
617.5250244	0.23
630.9711914	0.33
640.0983887	0.40
641.7724609	0.58
654.0633545	0.61
656.4058838	0.17
657.6666260	0.80
662.8602905	0.91
682.6337891	0.39
690.5973511	0.23
693.3375244	0.19
697.9364624	0.52
715.7539062	0.54
716.3732910	0.50
717.7446289	0.17
718.8894653	0.66
719.5650635	0.36
737.1838379	0.97
741.4230957	0.67
746.7407227	0.27
747.6148071	0.45
748.9593506	0.62
756.8079224	2.10
757.4492798	0.96
765.5639648	7.80
766.1722412	4.74
766.8347778	1.15
798.6225586	1.74
806.4007568	0.39
815.6699829	0.52
830.0201416	1.77
833.2846680	0.17
836.6150513	0.13
850.1093750	0.21
855.1750488	0.19
858.4935303	2.07
860.4908447	0.39
866.8145142	0.07
892.0573730	0.20
893.1942139	1.50
925.6656494	0.18
943.5277100	2.43
944.4265137	0.90
946.2121582	0.23
948.7158203	0.34
962.8798828	0.31
971.8258057	0.42
973.5372314	0.51
974.7922363	0.13
976.8286133	0.20
992.2344971	0.39
993.5272217	0.49
998.9559326	0.51
1000.0645750	0.87
1001.2767330	0.35
1002.6995850	0.33
1005.5437010	0.46
1017.5533450	0.43
1020.7254640	0.91
1024.6602780	1.42
1026.4930420	0.18
1028.9570310	0.34
1035.7830810	0.58
1038.6152340	0.28
1040.2299800	0.67
1042.9530030	0.32
1043.8343510	0.22
1047.0676270	0.97
1052.6065670	0.30
1053.4141850	0.32
1054.1324460	0.63
1054.8886720	0.20
1066.7009280	0.42
1068.4772950	0.19
1074.1501460	0.55
1077.4482420	0.09
1084.1549070	1.72
1086.2591550	0.48
1091.5467530	0.64
1092.8842770	1.72
1094.2392580	0.35
1095.0668950	1.23
1102.7543950	0.18
1104.1555180	1.06
1109.9587400	0.59
1110.8469240	0.39
1111.8166500	0.46
1113.4670410	0.68
1115.2448730	1.03
1118.0098880	0.93
1119.0743410	0.52
1120.6954350	0.68
1122.7861330	0.58
1123.9666750	0.19
1127.9782710	1.22
1128.9108890	1.53
1129.6300050	0.65
1130.8015140	1.45
1133.5308840	0.18
1136.9340820	0.33
1139.5467530	0.62
1145.4370120	0.16
1146.0761720	1.24
1147.2420650	0.29
1149.4960940	1.50
1154.5441890	0.44
1158.4719240	2.16
1162.3320310	0.45
1163.0061040	1.50
1164.8176270	1.73
1166.0300290	0.14
1166.9206540	0.75
1167.8311770	0.25
1170.6380620	0.24
1178.1781010	0.61
1182.2539060	0.88
1185.6898190	0.36
1188.7396240	0.50
1190.6989750	0.44
1191.9127200	0.21
1192.6635740	0.97
1193.8947750	0.51
1195.7824710	2.44
1198.0533450	3.24
1201.3884280	2.41
1202.3739010	0.82
1204.4241940	1.03
1205.7492680	1.04
1207.4359130	0.70
1208.6638180	0.23
1211.1567380	1.75
1212.5026860	1.08
1217.0141600	1.44
1220.7749020	0.98
1222.1492920	2.33
1223.5004880	0.58
1224.9323730	0.80
1227.1719970	0.21
1228.7479250	3.02
1230.0059810	1.84
1231.4547120	1.10
1232.8615720	3.98
1234.1347660	2.94
1236.0438230	1.47
1237.2043460	0.51
1238.0377200	1.14
1239.9166260	6.13
1241.3059080	1.37
1243.1690670	0.42
1245.4912110	1.07
1246.2707520	0.96
1247.8057860	1.83
1248.5413820	0.31
1251.8298340	2.54
1253.4896240	2.34
1255.9636230	0.58
1257.4000240	3.57
1258.0234380	0.32
1258.9858400	2.55
1260.0231930	2.94
1262.4641110	6.01
1263.1230470	3.74
1264.3089600	1.73
1265.2302250	0.11
1266.4715580	0.11
1267.6091310	0.76
1269.0343020	2.74
1270.8371580	1.39
1272.9714360	0.62
1273.6212160	1.23
1275.2056880	0.73
1276.3391110	2.85
1278.3776860	0.60
1279.5743410	1.68
1280.9698490	1.13
1281.9519040	2.46
1285.1276860	2.53
1285.9803470	1.11
1289.0725100	0.18
1290.3145750	1.05
1291.3209230	2.05
1291.9498290	0.13
1293.4638670	2.10
1296.7440190	4.28
1297.4796140	0.27
1299.2409670	0.53
1301.3328860	1.80
1302.5982670	0.37
1303.2467040	0.79
1304.5568850	2.87
1306.2420650	3.68
1307.3570560	1.28
1308.2828370	1.52
1308.9216310	0.67
1310.5173340	2.62
1312.6542970	2.61
1313.6384280	6.30
1314.2475590	0.63
1316.3786620	7.63
1317.4750980	0.91
1318.2239990	1.01
1319.0549320	1.33
1319.9584960	4.32
1320.8413090	0.41
1322.0128170	4.57
1322.8095700	4.17
1323.9174800	1.09
1324.8035890	2.89
1325.5314940	2.11
1327.0426030	0.89
1328.2637940	7.59
1329.0635990	5.10
1330.2958980	6.22
1331.3476560	3.43
1333.9636230	5.42
1334.8287350	14.08
1337.1435550	0.76
1337.8220210	0.77
1339.8663330	4.82
1340.6623540	7.87
1341.8759770	2.00
1344.1584470	2.34
1345.0263670	2.01
1345.8542480	0.15
1346.7459720	0.57
1347.7896730	0.24
1348.6422120	1.58
1349.8590090	1.34
1351.4047850	0.63
1352.9433590	1.89
1353.8056640	1.79
1354.9448240	2.99
1356.7625730	1.89
1357.6235350	0.67
1359.4399410	3.93
1360.4340820	2.20
1362.9067380	1.08
1364.0433350	2.10
1365.7814940	2.69
1366.5827640	0.91
1369.5507810	1.44
1371.4639890	4.79
1372.5556640	3.39
1373.5141600	1.09
1374.1942140	0.82
1376.2746580	3.31
1377.1783450	4.96
1378.0557860	3.53
1379.0245360	2.29
1380.1470950	2.84
1380.8410640	1.57
1381.9595950	5.79
1382.6440430	7.22
1383.4880370	2.58
1384.6000980	0.63
1385.6166990	5.59
1387.4886470	9.35
1388.3826900	37.00
1389.3554690	1.34
1391.0031740	12.17
1391.6097410	0.72
1392.9941410	0.95
1404.0540770	0.35
1415.2473140	0.75
1442.6967770	0.10
1444.6677250	0.62
1454.5689700	0.38
1457.2449950	0.24
1457.8997800	0.20
1459.0062260	0.58
1463.0566410	0.47
1468.3957520	0.28
1470.8560790	0.18
1471.5531010	0.13
1482.3582760	0.20
1483.3326420	0.39
1498.0037840	0.21
1510.4342040	0.86
1513.3145750	1.28
1514.0970460	0.17
1527.5449220	0.18
1528.9272460	0.40
1529.8880620	0.46
1531.7000730	0.33
1544.5125730	0.16
1545.7460940	0.52
1553.6092530	0.20
1559.0079350	0.51
1561.3070070	0.34
1562.8841550	0.61
1568.0181880	0.44
1568.7448730	0.66
1570.7984620	0.86
1573.7341310	0.79
1577.4530030	0.85
1578.8295900	0.80
1580.2069090	0.36
1584.2432860	0.43
1590.2420650	0.14
1591.6348880	0.34
1593.3255620	0.92
1596.1026610	0.36
1597.3054200	0.70
1602.9031980	0.51
1603.7851560	0.67
1605.1475830	0.38
1606.0546880	0.36
1606.9593510	1.02
1608.5925290	0.82
1611.0885010	0.38
1613.0727540	0.10
1615.3081050	0.53
1616.3179930	0.16
1616.9654540	0.69
1627.9029540	0.59
1629.1898190	0.40
1635.3739010	0.27
1637.9221190	0.72
1639.1568600	0.60
1640.6864010	1.56
1641.5040280	0.35
1644.9498290	0.18
1646.9686280	0.89
1652.5435790	0.22
1653.4974370	0.44
1655.6881100	0.12
1656.3094480	0.24
1657.2651370	0.09
1658.1109620	0.26
1659.0125730	0.25
1659.7379150	0.43
1661.3194580	0.55
1662.5615230	1.05
1663.2368160	2.05
1664.2987060	0.50
1667.7332760	2.18
1671.8416750	0.84
1672.8109130	0.33
1676.4466550	0.76
1680.4178470	0.73
1681.5317380	3.04
1682.1810300	0.35
1684.9898680	0.28
1686.1209720	1.08
1689.1220700	3.62
1689.9739990	1.84
1690.7523190	0.68
1693.1195070	0.10
1698.0723880	1.89
1698.8469240	0.08
1700.0268550	0.29
1709.0688480	0.82
1711.6356200	0.98
1715.9693600	1.48
1717.4613040	1.59
1720.7541500	0.15
1722.7515870	0.80
1724.0313720	0.30
1725.5339360	0.85
1726.3240970	0.45
1728.7916260	0.84
1731.5338130	0.83
1732.6925050	4.03
1733.7119140	1.94
1737.3430180	6.40
1738.2836910	4.28
1739.4365230	1.83
1741.6882320	0.09
1742.8656010	0.43
1744.5227050	0.38
1745.4128420	0.98
1746.2623290	8.54
1747.0412600	11.68
1747.9431150	0.10
1750.3074950	0.51
1752.4581300	0.90
1754.6706540	3.16
1755.5460210	4.91
1756.2664790	0.49
1758.7274170	0.33
1762.3148190	0.18
1765.8571780	0.36
1767.5465090	0.10
1768.9558110	0.53
1770.9163820	1.42
1772.2542720	0.83
1773.5778810	0.87
1775.7335210	0.27
1776.9528810	1.27
1778.1470950	0.40
1778.9173580	1.11
1779.5303960	0.46
1781.3800050	1.58
1782.6975100	2.55
1785.5133060	1.43
1786.9234620	1.01
1788.8228760	1.99
1789.7110600	0.49
1790.8752440	1.55
1792.5582280	1.29
1793.9556880	0.32
1794.8342290	0.50
1795.9351810	4.06
1797.3892820	3.24
1798.1068120	1.09
1799.9455570	0.60
1801.3900150	7.73
1802.1663820	18.36
1803.1677250	2.02
1805.3721920	0.34
1806.4520260	0.30
1810.2608640	100.00
1811.2806400	65.67
1813.8400880	0.23
1816.0755620	0.15
1817.1409910	0.65
1817.7741700	0.29
1820.4198000	0.29
1821.2357180	0.17
1822.6448970	0.78
1824.2593990	0.60
1828.6300050	0.55
1830.1568600	0.52
1834.6208500	1.04
1835.8829350	0.51
1836.7033690	0.56
1838.6829830	0.35
1840.9832760	0.22
1842.9351810	1.30
1844.4050290	0.48
1845.5230710	0.62
1846.7694090	0.52
1849.8052980	0.27
1850.6048580	0.79
1851.5949710	1.28
1854.1693120	0.59
1858.0573730	0.74
1859.4305420	7.23
1860.1057130	0.29
1862.5041500	0.92
1868.7927250	2.84
1871.0397950	0.96
1871.7242430	1.27
1872.6014400	1.83
1873.7481690	0.33
1874.4670410	0.34
1877.1120610	0.73
1880.3659670	3.62
1881.1768800	0.73
1883.2086180	1.12
1884.6018070	3.89
1885.4533690	1.42
1886.3435060	2.84
1887.9884030	3.41
1889.7203370	0.70
1893.3024900	17.34
1894.0723880	11.98
1894.7259520	2.82
1895.9232180	0.25
1898.0301510	1.03
1898.9625240	0.11
1901.9274900	1.02
1903.1936040	4.50
1905.6058350	0.47
1908.9256590	0.70
1910.8128660	5.76
1911.9431150	0.38
1912.7366940	0.40
1914.0812990	1.83
1916.1636960	0.99
1918.0150150	0.39
1919.9699710	0.34
1926.0494380	0.45
1927.6945800	0.38
1928.9022220	0.60
1932.6917720	0.51
1935.1136470	0.42
1935.8538820	1.25
1936.4953610	0.27
1942.1910400	0.12
1946.7209470	0.51
1948.2137450	0.32
1950.7515870	7.33
1951.5069580	0.42
1953.0286870	0.15
1956.4708250	0.41
1958.4561770	0.26
1959.6463620	1.85
1961.2882080	0.83
1962.4250490	1.39
1964.3649900	0.24
1966.2492680	3.80
1969.4283450	8.03
1973.4378660	23.18
1975.2427980	0.95
1977.7833250	0.32
1980.2230220	0.59
1981.9598390	0.32
1983.9553220	0.42
1985.9112550	18.24
1987.0653080	2.05
1987.8541260	0.10
1989.0272220	0.74
1992.4307860	37.05
1994.5905760	37.11
1996.1722410	1.05
1999.9888920	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	308.1517
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
120.9221039	0.10
121.6885681	0.04
123.0983810	0.21
132.2999573	0.08
147.1826477	0.06
159.0507812	0.11
162.0722351	0.06
162.9841461	0.07
164.0611877	0.05
167.5244141	0.08
169.0858459	0.26
174.1625366	0.06
177.7499695	0.03
179.0065765	0.23
180.1855469	0.03
182.3671417	0.07
186.0909882	0.06
189.9914093	0.02
194.1877441	0.07
198.0017395	0.03
201.2191467	0.08
203.1925354	0.05
215.2098694	0.04
217.1640625	0.05
218.9656982	0.42
224.2572937	0.04
226.2083130	0.35
227.2558289	0.30
232.0659790	0.09
233.0953369	0.11
235.4398804	0.04
236.3133850	0.04
241.4182739	0.12
243.1339722	0.13
244.4388733	0.29
245.0757141	0.09
246.2743530	0.04
247.3136292	0.06
248.2031860	0.06
252.2712402	0.10
254.1370850	0.17
255.2304688	0.03
259.4258118	0.03
262.3463135	0.16
264.2688599	0.08
265.4958496	0.04
266.9948730	0.18
272.1650391	100.00
273.1765747	0.40
279.4390259	0.19
280.1927490	0.16
289.1271973	0.14
290.1701965	64.39
291.1524658	0.46
299.0181274	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	580.29
Annotation	Unknow
Peak:m/z	Relative Intensity
172.9632874	0.06
181.9836426	0.04
190.0085297	0.09
193.9468536	0.04
209.3542175	0.03
220.2700500	0.79
233.3593445	0.15
236.4369659	0.09
238.1843414	2.53
239.1015167	0.22
248.7331238	0.13
256.2810669	14.46
259.2714539	0.13
260.1459961	0.09
261.8471680	0.08
263.2553711	0.03
280.2318420	0.08
285.4083252	0.07
289.0501709	0.03
298.4422607	0.26
305.2958069	0.02
313.2729492	0.10
325.1036987	0.23
327.0167236	0.07
328.2890015	0.47
329.2294922	0.05
343.2302246	0.08
346.5159302	0.05
352.3854980	1.08
364.3881836	0.16
370.3879395	0.20
371.5514526	0.03
376.9274902	0.02
382.3598633	1.09
383.5390015	0.10
386.3090210	0.03
396.9649658	0.14
398.2618408	0.57
400.3197021	51.27
401.0185547	0.45
406.3264160	0.07
416.8592529	0.21
418.3739014	100.00
419.0046997	0.18
419.6555176	0.10
424.5983887	0.13
442.3455811	0.17
443.6186523	0.03
450.3565674	0.04
454.5438843	0.03
457.2664185	0.03
460.2950439	0.30
484.4005127	0.03
487.2139282	0.18
490.4158325	0.25
504.2853394	0.08
514.6456909	0.24
525.5030518	0.08
536.1226807	0.04
544.4387817	0.36
559.6138916	0.37
562.4393921	14.62
563.4986572	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
118.7817764	0.03
121.1567535	0.01
161.1118164	0.01
179.1956787	0.01
341.2095337	100.00
368.1759644	0.01
370.9934387	0.01
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
92.89729309	0.09
96.9418335	1.51
98.95464325	0.16
113.0469666	0.14
114.9341431	0.15
119.1427917	0.15
129.1259155	0.09
155.1317444	0.13
165.1962128	0.68
170.048172	5.95
171.0783539	0.10
183.0121918	100.00
184.0019989	10.02
185.1204224	0.84
197.1520386	9.42
198.1420135	7.04
199.1319885	0.30
201.2018433	0.08
207.2180481	0.18
211.0354309	1.85
212.1649475	1.83
223.2617798	0.19
225.0769653	1.44
226.1846008	0.91
227.3319092	0.11
233.0618591	0.10
239.1871033	3.82
240.1772766	3.49
241.4085083	0.19
242.8426819	0.16
247.3283691	8.12
248.6854248	0.40
249.3534851	1.13
251.2299805	0.10
253.1516724	1.89
254.2709656	0.22
255.4692383	0.25
264.8457031	0.13
266.3102417	1.27
267.2808228	4.97
268.0075684	0.47
269.4003601	0.47
275.1082153	0.43
283.0493164	0.17
284.1117554	0.20
289.0857239	0.20
293.3803101	6.81
295.1554871	0.25
311.2800903	9.80
312.2356262	1.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	564.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
190.2435913	0.03
280.2847595	0.06
323.1267700	0.21
343.4277954	0.08
353.2081299	7.95
354.3455200	3.14
355.2913208	0.10
362.9818115	0.09
366.1118164	0.04
374.3179321	0.12
385.1480103	0.30
399.1986084	17.38
400.2228394	3.48
401.3986206	0.04
402.2603760	0.29
427.4733887	0.08
439.0714111	0.03
457.4855347	0.08
475.2070923	0.08
478.3443604	0.12
503.5371094	0.12
518.2252808	100.00
519.2370605	26.75
520.1979370	0.21
547.4923706	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	484.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
144.1039886	0.12
145.0433350	0.32
152.0034485	0.07
202.3072815	0.03
209.0063629	0.22
219.9819031	0.15
221.2217102	0.08
237.0639038	0.07
246.0753937	0.09
247.1198120	0.19
248.1008301	0.31
248.9788208	0.18
252.1776123	0.59
253.0590210	0.46
254.3612061	0.09
265.2447815	0.86
266.3177490	0.11
279.5617371	0.11
291.0010681	0.06
300.9750977	0.09
311.5944214	0.12
322.4724426	0.11
323.2250977	0.10
325.4029846	0.04
327.2243652	0.12
336.2716370	0.06
338.0948486	8.38
339.2949219	4.33
340.2751770	0.07
344.3682251	0.23
355.1770935	100.00
356.2806396	39.13
359.0763855	0.16
369.2517395	0.11
380.2852783	0.19
389.6440430	0.05
391.3417664	0.11
392.0695496	0.09
393.5267639	0.07
406.6795349	0.13
409.2569580	7.68
410.3888550	4.45
412.6087952	0.12
417.4574280	0.67
421.1727295	0.30
430.6554260	0.07
444.1176453	0.10
466.2533875	1.18
467.4003601	3.05
468.3215027	0.53
485.3367004	0.08
487.3818970	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	228.1588
Annotation	(+)-Epilupinine N-oxide acetate ester
Peak:m/z	Relative Intensity
53.59292221	0.03
69.99404907	0.03
70.96154785	0.07
87.91703796	0.01
106.8587189	0.04
113.7383118	0.02
119.3158112	0.06
124.0685577	0.05
124.9134369	0.11
133.0440063	0.07
137.1407928	0.01
140.293869	0.02
150.1781769	0.66
151.130661	0.05
154.1011963	0.03
165.0251007	0.01
166.1967926	0.09
168.1450653	100.00
169.3527679	0.01
170.6253815	0.01
182.2821503	0.06
183.4881287	0.04
184.1451721	0.09
186.2910767	0.01
187.162674	0.38
190.0305328	0.07
192.1646118	0.40
193.0402985	0.04
200.1195984	0.09
205.1581116	0.04
206.8640137	0.05
207.9412994	0.03
210.0996552	6.18
218.925705	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	732.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
301.5202637	0.06
308.1317139	0.10
336.9063721	0.36
361.9798584	0.26
366.1725464	0.27
386.1383057	0.45
407.1688232	0.25
413.1859131	0.79
418.6968994	0.08
439.1460571	0.36
440.1343994	0.17
456.5655518	0.06
463.4562378	0.18
481.3547363	0.39
483.2257080	2.34
484.2136841	0.62
501.2744141	100.00
502.3248291	13.94
502.9990845	0.18
504.4539795	0.12
516.2683105	0.28
522.9454956	0.16
542.5366821	0.08
547.1206665	0.11
551.5670776	0.11
568.2058105	0.08
575.4725952	0.08
603.0779419	0.07
643.1047974	0.63
668.6317139	0.08
670.1033936	0.24
673.6520386	0.41
688.4996338	0.07
689.3759155	0.35
696.5599976	0.07
697.3041992	0.10
715.1888428	0.66
716.3762817	0.08
724.8265381	0.28
732.6292725	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.0666
Annotation	2-Galloylglucose
Peak:m/z	Relative Intensity
94.8752747	0.17
96.7379608	0.08
101.1331711	0.05
107.0179291	0.07
108.0710754	0.07
108.9464645	0.12
111.0755081	0.11
120.9925232	0.06
122.9487457	1.02
124.0918350	0.44
125.0319214	14.87
135.1748962	0.05
136.9493866	2.02
139.1074371	1.11
145.0025330	0.03
147.0181274	0.07
149.0137787	0.19
149.9045105	2.81
151.0889587	2.09
153.0870972	0.06
154.9756470	0.12
160.8962097	0.07
162.7161407	0.72
165.1159058	0.59
167.0841217	9.59
167.9822998	54.40
168.9921875	18.29
171.0232544	0.06
174.7603302	0.07
177.1508179	0.12
179.0726929	2.14
179.9060364	0.48
181.0693512	2.82
183.1139221	0.25
193.0605621	2.29
195.1589966	0.03
196.9430084	0.04
198.8989716	0.13
202.3779297	0.09
205.2068329	0.84
207.0243530	0.04
209.3243408	0.06
211.1551208	5.21
217.0357056	0.14
223.1198120	1.90
235.0437317	0.27
237.3082275	0.06
238.8441772	0.03
240.6007996	0.05
241.2518616	0.51
245.2870789	0.09
247.0707092	0.20
253.2246094	0.98
259.2772217	0.06
267.1758728	0.08
269.1374207	0.90
277.0378113	0.19
285.1602173	0.96
287.1624756	2.10
289.2568665	0.02
295.0388489	0.19
300.1634216	0.03
301.0599976	0.03
313.1333923	100.00
314.3810425	0.20
331.4515381	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	436.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
145.3058777	0.04
159.2190552	0.04
160.9005737	0.14
164.7994385	0.05
175.0037231	0.05
177.1253662	0.03
185.1149597	0.19
190.2000122	0.08
191.0279236	0.12
201.9736176	0.04
207.8864136	0.36
209.0907593	0.04
211.2112579	0.04
213.1331177	0.05
221.0039825	0.04
230.1794739	0.13
238.4449768	0.19
239.3127136	0.17
246.0581360	0.05
251.0269165	0.02
254.4591675	0.03
256.2445068	8.16
257.2042236	0.30
272.4526978	1.84
273.2258301	2.61
274.2647400	3.25
294.8381348	0.05
296.7810059	0.03
298.3366699	0.07
303.1551514	0.11
304.0544434	0.46
313.9232483	0.04
315.0853882	0.16
316.0700989	0.04
328.3585205	0.06
345.8544922	0.16
348.3748474	0.12
353.3237000	0.04
355.2033081	0.10
361.3916016	0.13
363.4214172	0.08
364.0477905	0.14
364.6914062	0.07
369.2819214	0.13
373.4580078	0.06
375.5264587	0.03
379.3405457	0.03
382.5036011	0.12
390.4588318	0.20
391.3343811	0.05
392.1461487	0.05
393.3128357	0.04
399.4103394	0.05
400.3571777	1.02
407.6185303	0.12
412.1872253	0.04
418.3235779	100.00
419.0633240	0.32
427.2726746	0.45
430.0441589	0.07
436.2330017	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	427.1817
Annotation	1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
148.9441223	0.04
192.1640472	0.03
227.1959839	0.02
231.2267151	0.14
233.2429199	0.03
249.3397522	0.08
250.2909546	0.04
251.4552612	0.08
263.1244812	0.07
266.3190613	0.03
268.3082581	0.04
277.0803223	0.06
279.1503296	0.12
281.1086731	0.14
282.2347717	0.04
283.2330933	0.02
284.7694702	0.03
292.0507507	0.06
293.2373657	0.43
294.1088562	0.33
295.1135864	0.17
298.7374268	0.01
305.0010986	0.04
309.1992188	0.09
318.0944214	0.04
319.1963806	0.02
324.3244629	0.02
325.3618774	0.11
327.4187622	0.07
330.3266602	0.02
331.2236328	0.10
337.1089783	0.02
348.3670959	0.08
356.3456421	0.03
381.2269592	100.00
382.3153992	14.10
383.5662231	0.09
384.3533630	0.27
392.4065552	0.21
393.2398376	0.03
398.2182922	0.03
399.3850098	0.05
400.1978760	0.07
407.5856018	0.08
408.3598938	0.02
409.0609741	0.33
410.1228333	0.24
411.3323364	0.04
427.2543640	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	408.0423
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
119.2361298	0.23
128.8342896	2.00
132.0735168	0.87
138.9560547	1.00
145.0716248	0.91
149.1056213	0.42
162.9370270	0.91
166.0687103	8.64
183.9510498	0.53
192.0384521	0.65
195.1275024	5.98
212.0334167	32.49
215.0519867	5.26
217.1496277	2.35
220.7845306	0.31
224.0735779	0.60
227.1615601	4.16
230.0450745	7.78
241.1769104	1.47
259.0578003	100.00
260.3409119	0.82
275.1496277	42.15
291.1370239	1.01
315.2886963	0.42
328.2100220	19.25
329.2387390	0.68
369.8748169	0.90
374.1344299	0.48
389.3092957	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	471.06
Annotation	Unknow
Peak:m/z	Relative Intensity
168.2326050	0.06
214.9704132	0.48
217.0478058	0.48
297.3095703	0.07
299.3284607	0.05
301.0897522	100.00
301.6923828	0.46
303.1932983	0.22
311.0085449	0.10
331.5680542	0.03
339.2614136	0.26
341.1934814	0.64
369.4758301	0.05
372.1599426	0.03
372.9635925	0.09
381.1625366	0.05
383.5196228	0.20
385.1526184	0.12
386.9745483	1.20
393.1431580	0.13
407.1065979	0.18
425.0160217	2.28
425.7284546	0.03
437.0569763	0.05
453.2307739	0.10
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
99.0245514	0.20
100.9151917	0.20
103.0093994	0.02
109.0770874	0.01
111.0684738	0.16
113.0250626	1.06
114.0987167	0.03
114.9865265	0.76
117.0454102	0.04
118.9523010	0.03
123.1793518	0.04
125.0414124	0.13
127.0229340	0.64
129.0768127	0.52
131.0384827	0.17
135.0984802	0.02
137.0852661	0.08
139.0269623	0.43
141.0299988	0.08
143.1375732	0.04
149.1719360	0.03
151.1518402	0.02
153.0954437	0.07
156.9916077	1.63
158.9921570	0.01
160.9294739	0.05
167.2284088	0.08
169.0484924	0.84
171.0876007	0.01
173.2700958	0.10
174.0841370	0.75
175.0523224	1.12
177.2142334	0.02
179.3864746	0.05
187.1824493	0.06
189.0434723	0.03
199.0558929	0.06
201.2256622	0.01
203.2090912	0.03
207.1193695	0.13
217.0733337	0.02
218.9273682	0.11
222.9591675	0.01
228.8357544	0.05
233.2346802	0.06
237.3099976	0.06
238.7522278	0.01
241.3465271	0.01
247.1541748	0.03
248.0093994	0.01
250.1508179	0.04
258.9894409	0.01
263.5232239	0.02
265.1521912	0.03
277.1059570	100.00
277.9295959	0.00
289.1741638	0.03
291.0813293	0.04
291.6848145	0.01
298.1372375	0.01
301.4020691	0.02
303.0011597	0.01
319.2789612	0.55
320.3832397	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	780.5868
Annotation	Unknow
Peak:m/z	Relative Intensity
221.1951141	0.36
258.2407837	0.08
272.2460632	0.11
275.8076782	0.28
281.7584229	0.13
290.4150391	0.10
297.2186584	0.09
299.2644653	0.08
309.0734253	0.19
310.3175049	0.21
315.4268799	0.57
316.3853760	0.15
338.0113831	0.29
343.4091797	0.31
369.0299683	0.17
372.2851562	0.20
374.7933350	0.23
383.4981079	9.26
384.3577271	0.19
385.4008179	0.45
404.6115112	0.20
411.0719604	0.16
426.3273315	0.15
436.1408691	0.20
437.2205811	1.02
438.1648560	0.31
439.4525146	0.18
448.0505371	0.35
451.3991089	0.16
455.3803711	0.55
468.6148071	0.11
474.7573242	0.33
480.4780273	0.09
484.2416382	0.33
498.7019653	0.14
532.3459473	0.08
542.4094238	0.16
551.4772949	0.91
562.7316284	0.11
569.4904175	0.23
571.3720703	0.09
579.6276245	4.14
580.5640259	1.05
583.1063843	0.50
605.9675903	0.14
612.3971558	0.17
624.9551392	0.07
629.3418579	0.13
633.5240479	0.17
640.2484741	0.23
641.6230469	0.20
647.0878296	0.08
649.8003540	0.16
651.0606689	0.11
658.5684814	0.11
668.4246826	0.66
670.8813477	0.08
690.6157837	0.30
691.7506714	0.09
692.7725220	0.12
698.9290161	0.23
701.2978516	0.36
703.9148560	0.80
706.5519409	0.11
708.1730347	0.38
708.9542236	0.62
709.7757568	0.30
712.4757690	1.44
713.3312988	0.32
717.2465210	0.52
718.2780151	0.59
721.6593018	1.59
727.6911011	0.28
730.3243408	5.25
731.1659546	0.28
734.5730591	1.96
735.2702026	0.74
736.0158081	0.23
737.3677368	0.35
740.4038086	1.20
742.3681641	0.94
743.7702637	4.25
744.6079102	1.41
745.7534790	0.17
747.7435913	1.89
748.8278809	2.71
749.5053101	0.04
750.1275024	0.45
752.6271362	3.79
753.5250854	0.39
754.3079834	0.24
755.4266357	1.07
756.1089478	1.09
759.6636353	0.05
761.8333130	0.52
763.3168945	2.49
765.5640869	14.90
766.6190186	3.48
767.5803833	1.44
769.4002686	0.69
770.5060425	0.81
771.8447876	0.08
772.9763184	0.20
784.9834595	0.36
798.3666382	0.39
804.3341675	0.10
807.3787231	0.60
808.7572632	0.79
809.6698608	0.33
813.5999146	0.40
814.5819702	0.11
815.9022217	0.09
818.2857056	0.90
822.0564575	0.60
827.4779053	0.46
828.4490356	0.67
829.3922729	0.48
831.8315430	0.52
835.8037720	0.28
840.3263550	0.89
841.1173706	0.19
846.1747437	0.26
847.3559570	0.77
851.3714600	1.37
853.4989624	0.13
859.7767944	0.08
861.1566162	0.98
862.3363037	0.07
865.6040649	1.46
866.5980225	0.10
868.9242554	0.94
869.5548096	0.33
872.6936646	0.16
876.7037964	1.28
877.8241577	0.67
879.9573364	0.80
883.4569092	0.14
884.2886963	0.77
885.3419800	0.70
887.0097046	1.04
888.9956665	1.54
892.6828003	1.38
893.9497070	0.48
894.6743774	5.68
895.6538086	0.54
897.4612427	11.61
898.1303711	4.88
899.2397461	0.10
901.8549194	16.01
903.6017456	0.13
905.1098633	0.14
906.5557251	0.12
915.6168823	0.61
918.3831177	0.99
919.9899292	0.52
920.7278442	1.45
921.9971313	1.37
922.9016113	1.71
923.7763672	0.09
925.0976562	12.80
926.2546997	1.63
927.3964233	5.41
928.1284790	0.20
928.9708862	4.65
929.5795288	100.00
930.8933716	3.03
931.9891968	3.00
932.7322388	0.62
933.7509155	0.53
935.0846558	0.07
936.7702026	0.55
937.7087402	0.43
938.6105957	0.33
940.9899292	0.51
941.7722168	0.31
943.0144043	0.11
946.1417847	0.38
948.4823608	0.50
949.8764038	2.57
950.5221558	0.54
951.8161011	0.64
953.4660645	1.60
955.1728516	1.87
956.1240845	1.17
957.5750122	1.20
958.9936523	0.09
959.9699707	0.88
960.6150513	0.58
962.2749634	0.35
962.9601440	0.25
965.4077148	3.79
966.3107910	0.64
967.7560425	0.23
973.4769897	4.54
974.2819824	0.13
979.3351440	9.27
980.2741699	1.21
992.5056763	0.66
996.5505371	1.56
997.1735229	2.83
997.8889160	0.27
1003.0924680	10.91
1003.8917850	1.09
1005.9314580	0.20
1007.3967900	0.09
1011.9258420	0.12
1012.8099980	0.41
1017.7327270	0.59
1020.1870120	0.26
1022.5463260	0.11
1025.0682370	0.34
1026.7087400	1.23
1027.6868900	0.22
1035.3457030	0.45
1037.0185550	0.63
1040.0239260	8.80
1044.1513670	0.29
1044.7988280	1.28
1046.0385740	41.42
1046.8989260	2.92
1049.1628420	0.17
1050.7784420	0.55
1055.4929200	0.07
1062.3337400	0.40
1066.7590330	0.36
1082.1369630	0.34
1083.0219730	0.14
1087.6621090	2.27
1088.4394530	0.06
1090.7126460	0.57
1092.3333740	0.06
1105.1566160	0.62
1120.1711430	1.46
1121.0078120	0.35
1122.8242190	0.41
1141.4218750	0.42
1144.5230710	0.36
1147.5511470	0.33
1153.1984860	2.66
1154.0682370	1.65
1154.7583010	0.14
1155.9345700	0.10
1157.9134520	0.51
1158.5925290	0.83
1159.4921880	0.06
1190.2542720	5.51
1191.2645260	0.32
1193.4353030	0.27
1194.8752440	0.27
1196.2849120	5.55
1197.0397950	0.50
1202.4548340	0.78
1206.6689450	0.15
1211.6887210	0.29
1212.7617190	0.55
1214.9449460	0.13
1219.5300290	0.50
1241.0655520	3.09
1242.3060300	1.17
1251.9383540	0.28
1255.1525880	0.13
1259.7667240	0.16
1267.8668210	0.46
1276.7490230	1.89
1277.7956540	0.79
1282.8961180	0.38
1290.3209230	0.25
1292.8530270	0.19
1298.6368410	0.13
1301.9113770	0.19
1312.7996830	0.06
1317.3745120	0.56
1326.5443120	0.54
1328.1684570	0.11
1332.7348630	0.47
1341.4570310	0.62
1346.4825440	0.32
1347.9465330	0.49
1349.7454830	0.32
1351.0252690	0.26
1359.4680180	0.60
1362.6756590	0.11
1370.7467040	0.31
1391.4719240	0.66
1411.9724120	0.14
1436.0277100	0.22
1459.3892820	0.51
1507.9129640	0.33
1524.0035400	0.28
1531.1864010	0.06
1541.7071530	0.38
1568.9007570	0.23
1569.6411130	0.09
1581.1890870	0.11
1591.9016110	0.28
1611.3629150	0.06
1634.0896000	0.18
1654.6184080	0.21
1671.1671140	0.07
1693.0521240	0.13
1731.9392090	0.23
1733.0061040	0.24
1784.3731690	0.57
1786.6442870	0.16
1791.2077640	0.35
1799.9520260	0.08
1811.1799320	0.21
1814.1942140	0.18
1818.4715580	0.94
1825.7922360	0.09
1834.9388430	0.24
1853.8946530	0.11
1858.8029790	0.07
1866.3483890	0.09
1868.2235110	8.92
1883.4010010	0.10
1907.4276120	4.16
1913.0080570	0.18
1914.5734860	0.11
1953.6019290	0.46
1959.0681150	0.84
1960.1477050	4.53
1964.7171630	0.15
1966.3875730	0.42
1970.8024900	0.91
1983.2034910	0.28
1984.8396000	1.05
1990.4891360	0.34
1992.2159420	0.08
1993.6026610	1.38
1995.5745850	0.68
1996.3511960	0.04
1997.4704590	0.92
1998.7974850	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	282.1345
Annotation	Codonopsinol
Peak:m/z	Relative Intensity
87.9564362	14.47
88.9802170	0.79
98.1536255	0.07
99.1699295	0.06
108.1543045	0.02
110.1163635	0.02
111.0355682	0.02
114.0195084	11.92
115.0086365	14.54
115.9739227	0.89
123.2188263	0.39
132.0209045	100.00
133.0568542	4.44
137.0479736	0.07
149.1219482	0.26
149.8683167	0.02
152.0041809	0.03
153.2462769	0.06
166.2238617	5.61
167.1227417	55.19
168.0826874	7.29
174.0299835	0.05
176.1742401	0.37
192.0491943	0.06
195.2695312	0.05
202.1052551	0.06
210.1977844	0.07
211.1741333	0.10
214.1340332	0.26
217.0727844	0.07
219.1340942	0.08
220.1593323	13.53
221.2341919	2.68
223.3020935	0.04
224.1240234	0.03
225.2069092	0.14
227.1335754	0.02
235.8995361	0.09
238.1625977	67.06
239.1859131	12.42
241.2513733	0.05
247.4868774	0.17
255.1533813	0.08
264.1062317	25.47
265.2230225	5.82
266.1464539	0.24
267.0645447	0.36
268.2222900	0.12
285.4455872	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2415
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
93.03423309	0.40
94.95921326	0.45
97.06217957	0.69
99.06356812	0.50
102.9884949	0.26
104.9960098	0.69
109.137146	2.38
109.969162	0.24
110.9886703	0.39
113.161377	0.66
114.9078064	0.30
119.1315384	0.41
120.9929504	1.55
122.1485214	0.13
123.1156158	1.83
125.6713104	0.30
127.1414719	1.34
129.125351	0.71
131.0985718	0.60
132.0639496	0.44
133.2047729	0.85
135.1799164	0.19
137.1322937	1.06
139.1331482	2.66
141.1374512	0.30
142.8751221	0.36
143.5237122	0.33
147.0657196	0.61
148.6586609	0.33
151.2503204	0.35
153.1347351	0.97
155.1513062	1.13
157.2631836	0.31
160.9670563	0.10
163.0396576	0.68
165.1557159	0.96
166.9686432	1.70
168.8837738	0.94
171.0402832	0.86
173.1566772	0.13
175.0870667	1.00
176.1086121	0.14
178.3883362	1.43
179.1628265	0.39
181.2430573	1.31
183.1238403	1.96
184.9867706	2.82
187.0982056	1.08
189.1160431	0.37
191.0644531	0.65
193.0455017	1.38
194.2009888	0.71
195.0797729	2.20
197.1216736	4.88
199.1407166	0.26
200.396759	0.19
201.3042603	0.20
203.1498108	0.20
205.1321106	0.76
207.2030334	1.16
209.1914368	1.39
211.0848999	0.61
212.2701111	0.97
213.3729553	1.03
216.0035706	1.31
217.1588135	0.98
219.2716675	1.03
220.8689575	2.88
221.5021362	1.60
223.0604553	0.47
224.1312866	0.32
225.1072083	2.88
227.2458191	0.57
233.288208	2.23
234.313324	0.53
235.4495239	0.13
237.3114014	4.21
239.1463928	9.85
241.1323853	1.29
243.3973083	2.08
251.1558533	5.33
252.9338074	0.89
254.1331177	0.79
255.3114319	3.83
256.1072998	0.71
257.1266174	1.02
258.7401123	0.18
261.2479858	3.65
266.7467651	0.40
267.5656128	0.29
268.3032227	0.85
269.3265381	1.83
270.1390076	0.12
275.8710938	1.14
276.880249	0.25
277.5528564	0.72
279.2324219	100.00
280.312561	1.53
283.249939	0.53
287.8675537	1.60
288.798584	1.24
297.3293152	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	507.1
Annotation	Unknow
Peak:m/z	Relative Intensity
159.9385834	0.05
171.2728577	0.02
208.0685577	0.06
242.1319580	0.06
254.3290100	0.18
258.1538086	0.11
258.8644409	0.21
266.8734436	0.08
272.2850952	0.11
273.1931152	0.03
275.0231628	0.03
283.2215271	0.07
302.6601257	1.17
303.2986145	1.11
304.1872253	0.11
306.1343994	0.45
307.0803223	0.10
318.3292236	0.04
327.3956909	0.15
358.3300781	0.08
360.3272705	0.10
363.2056885	0.06
368.0998230	0.05
370.1209106	0.08
375.5130005	0.13
383.0155029	0.11
385.0805054	0.18
390.1633301	0.05
396.2349548	0.05
403.0552063	0.13
407.2850342	0.06
417.3163757	0.07
422.4718323	0.06
431.4631348	0.09
443.0645447	0.16
446.2903748	0.11
459.2324524	0.21
461.1683655	100.00
461.7778931	0.73
472.4321899	0.09
485.6310120	0.22
487.5878601	0.05
488.2836609	0.03
489.4516907	0.14
490.1717224	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	516.8977
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9840546	0.57
174.9393921	0.81
199.0361176	0.09
214.9916992	0.09
216.9375153	0.04
229.1181946	0.18
273.0549622	6.08
275.2417603	0.06
289.0888672	11.87
329.2153931	0.04
330.7791138	0.04
376.9123535	0.04
387.0108032	0.23
401.2409668	0.09
402.9870605	100.00
403.5991821	0.37
406.1649170	0.05
431.1042480	0.04
442.0951538	0.02
442.9831543	0.33
471.1496582	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	382.1696
Annotation	(R)-Pantothenic acid 4'-O-b-D-glucoside
Peak:m/z	Relative Intensity
114.9336853	0.02
116.0004120	0.06
130.0941162	0.02
131.2906952	0.04
142.3821106	0.03
145.0985565	0.02
147.1459351	0.04
152.2041016	0.02
165.9706726	0.05
173.9908142	0.09
184.0994720	0.52
202.1710663	2.30
211.1293030	0.03
214.1859589	0.03
220.0655212	100.00
221.8655548	0.01
229.2842712	0.04
235.2720337	0.02
238.0407410	0.03
245.1651001	0.02
250.1527100	0.01
252.3956604	0.04
262.9918518	0.03
265.0661621	0.01
282.2316895	0.07
291.9208984	0.03
293.1987610	0.01
294.4598389	0.02
295.9310303	0.02
300.7803345	0.44
308.6217651	0.09
309.5899048	0.02
310.3458252	0.08
315.5922241	0.02
317.0084534	0.03
321.5645752	0.05
333.1305847	0.01
336.2664795	0.02
337.3530273	0.01
338.2686768	0.02
340.4616089	0.02
341.1893921	0.03
345.3596191	0.03
346.6062012	0.03
347.5805054	0.01
350.0939941	0.05
353.5556335	0.02
354.4015198	0.03
362.5785217	0.01
363.3393250	0.09
364.4431152	0.20
365.3883972	0.01
373.3486023	0.08
374.1546326	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	675.3595
Annotation	Denin
Peak:m/z	Relative Intensity
201.2493439	0.13
203.1062469	0.17
204.8839417	0.06
217.0851746	0.38
221.2514038	0.05
227.0676727	0.16
235.0695801	5.24
236.0908813	0.12
245.1214752	0.13
253.1688232	1.46
254.3428345	0.19
261.9164429	0.05
262.8728638	0.18
266.9211121	0.09
275.2324524	0.08
276.7202148	0.18
277.3727417	3.34
278.1738281	0.19
287.1386414	3.44
288.0223694	0.56
291.4506226	0.24
303.2034607	0.17
305.1420593	5.80
306.2531128	0.44
323.0630188	0.71
324.4342041	0.06
325.2803345	0.09
347.3803101	0.05
349.1140137	0.22
361.4934692	0.12
379.4550171	0.35
397.2329102	100.00
398.3289795	11.38
415.2943115	33.17
416.2537842	4.78
420.4029541	0.12
427.9819946	0.18
466.0810547	0.07
474.6203613	0.09
491.1705933	0.19
504.4351196	0.27
525.2000122	0.04
580.5935669	0.19
588.2117920	0.09
596.1500854	0.53
602.2985229	0.10
611.8628540	0.16
618.1284180	0.38
629.3489380	0.12
630.4959106	0.08
640.2836914	0.25
641.7822876	0.18
657.2319336	0.07
658.2986450	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0196
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
84.9364319	0.28
86.9800262	0.69
100.9884644	0.09
110.8744812	100.00
111.6812439	0.01
129.0193634	2.32
130.9107056	1.68
146.9626160	0.14
155.0948944	0.61
172.9617462	28.27
173.9472504	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	983.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
285.3900757	0.20
361.4452209	0.04
402.6988525	0.10
429.3659973	0.03
443.2419128	0.88
446.3809204	0.09
460.4449463	0.36
461.6204834	0.11
480.3284302	0.22
493.5688171	0.06
495.4398499	0.12
496.3646240	0.06
521.3523560	0.10
523.3736572	0.10
535.3198242	0.05
539.4890137	0.31
555.3445435	0.09
565.5631104	2.73
566.4975586	1.23
567.3277588	0.11
569.3245239	0.41
570.4247437	0.03
576.3237305	0.05
583.6030273	1.34
584.4892578	1.40
585.5715332	0.12
597.3052979	0.18
598.4327393	0.32
609.4449463	5.15
610.4002075	1.20
615.5441895	1.40
627.5348511	0.18
628.5058594	0.15
636.4609375	0.32
641.3267822	1.51
642.2954712	0.09
657.5450439	0.18
665.5372925	0.16
670.4456787	0.23
686.9757080	0.07
695.4873657	0.09
711.1804199	0.29
728.9793091	0.07
742.6053467	0.09
745.4130859	0.06
761.4983521	0.16
771.1899414	0.16
772.3890381	0.23
773.5460205	0.12
775.5015869	0.16
784.5351562	0.15
785.9440918	0.11
789.6654053	0.27
790.5236816	0.41
793.8391113	0.14
815.7542725	0.36
819.6998291	0.23
821.6077881	0.04
827.9995117	0.21
828.6412354	0.64
829.6911621	1.00
830.6068115	0.59
832.6011963	0.41
839.5639648	0.11
840.9289551	0.06
845.3271484	0.04
847.6115723	0.15
848.4178467	0.07
860.6221924	2.47
861.5504150	0.50
862.6823730	0.17
864.0189209	0.19
864.6546631	0.19
878.9417725	0.11
883.7170410	0.34
889.6004639	0.32
895.7585449	0.16
907.3944092	0.72
908.4245605	0.83
933.3394775	0.52
933.9487305	0.34
934.5954590	0.38
939.3997803	0.33
940.6258545	0.14
951.4943848	100.00
952.5837402	47.30
965.0930176	0.19
966.6459961	0.29
984.7976074	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
85.06624603	0.31
88.84094238	0.12
90.64816284	0.20
94.88900757	1.20
96.8731308	1.17
98.7562027	0.71
102.9844208	0.58
105.0765152	0.41
109.1006622	3.32
111.0055695	1.10
113.0111847	0.37
115.0211334	0.51
118.6655579	0.21
120.987381	1.29
123.014061	1.51
125.1496582	0.26
127.197525	0.37
131.1579285	0.30
132.9763641	1.08
135.2372437	0.66
136.0546722	0.15
136.9450836	0.76
139.1000061	3.13
141.0567322	0.50
143.1812744	0.34
146.4211426	0.08
149.1608582	0.21
150.9026794	1.42
153.0187683	2.13
155.2080688	0.42
157.1497955	0.32
159.0681763	0.61
161.0925598	1.57
162.9874725	0.12
165.0573883	0.57
167.0755615	1.07
168.7523499	1.80
171.1259155	2.80
173.0523682	0.12
175.2973328	0.89
177.1542358	0.55
179.1838074	0.29
181.1854706	0.16
183.0857849	3.57
185.0914917	0.56
186.939209	0.35
189.1344299	0.91
191.0535583	0.43
193.2001343	1.18
195.0837708	0.88
197.000473	7.49
199.291748	0.72
201.1213989	0.28
203.2397461	1.86
207.1455688	1.01
209.2109375	1.35
210.4521179	0.28
211.2065735	0.72
213.3533936	0.42
215.2030334	1.33
217.262085	0.19
218.0997314	0.33
219.1854858	1.50
219.792572	0.42
220.5308533	0.22
221.2332764	3.81
223.2131653	1.25
224.1871643	0.13
225.1683655	1.48
227.1696777	0.90
229.0383911	1.16
233.2514648	0.87
235.3418579	0.18
237.1623535	3.97
238.3739014	0.37
239.1571655	10.79
241.3398438	0.37
243.1550293	1.68
246.2745056	0.16
249.2064819	0.43
250.288147	0.25
251.3230591	3.17
253.4234009	0.81
254.3187256	0.60
255.2280884	1.34
256.9057617	1.41
257.5396729	0.21
261.2114258	5.99
265.7436218	0.59
269.287323	0.70
271.4458008	0.17
272.3158569	0.25
276.2263489	0.23
279.228241	100.00
280.1186829	1.52
281.0812683	0.48
283.0470886	0.34
288.1917725	1.48
297.2328491	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	630.8779
Annotation	Unknow
Peak:m/z	Relative Intensity
217.1014557	0.06
245.2329559	0.11
247.1224060	0.19
273.0274048	1.09
274.0658264	0.05
289.0032349	2.91
387.0589600	1.53
403.0423584	18.70
428.1449585	0.04
457.1366577	0.04
499.1934204	0.05
500.0930176	0.09
501.1072388	0.61
515.2370605	0.45
516.8883667	100.00
517.6159058	0.30
545.4350586	0.05
556.0361328	0.04
557.0332031	0.09
558.0164185	0.02
562.8156128	0.07
583.9705811	0.38
584.7269897	0.24
585.3276367	0.12
598.4289551	0.06
599.1854858	0.07
602.6757202	0.07
612.1159058	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	259.02
Annotation	Aldohexose 6-phosphate
Peak:m/z	Relative Intensity
78.8664703	16.94
96.8346176	100.00
100.9368896	0.46
113.0954285	0.38
138.9947052	6.82
143.0712891	0.64
152.8857880	0.11
160.9954987	1.96
167.0787201	0.11
168.9301910	12.75
173.1148224	2.78
175.2348938	0.61
193.0976715	0.15
198.9809570	29.52
222.9997864	4.27
228.8448029	0.76
241.1020966	12.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	236.0564
Annotation	Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid
Peak:m/z	Relative Intensity
70.9249344	0.90
71.8532486	0.08
77.0481415	0.28
100.9503784	0.08
107.1024475	0.16
114.1199341	0.72
114.9369354	20.05
119.9246063	14.08
121.0180511	77.15
127.8061218	0.13
145.9563141	0.34
148.1005859	0.50
160.1165924	0.10
161.1274414	0.14
174.1045074	49.07
178.0828400	0.23
192.0434723	100.00
206.1690826	0.16
208.1228790	0.21
218.0892487	65.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1142
Annotation	Lactulose
Peak:m/z	Relative Intensity
157.3430176	0.03
179.0316772	0.03
221.9630432	0.01
341.1745911	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	224.09
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
97.2302856	0.11
106.9941864	0.09
111.0994110	0.06
112.0747833	0.12
122.0847015	0.14
136.0494690	1.31
137.0087128	0.30
146.0985565	0.31
148.0070953	0.30
150.1371918	0.42
156.1104126	0.30
158.9582062	0.05
164.0250092	1.26
165.1868439	0.09
166.0500946	0.42
169.8734589	0.11
176.1379852	0.24
178.0178680	63.78
180.2517853	0.08
181.9938354	57.60
182.9946136	4.07
188.0432129	0.23
192.0464325	0.09
196.1008911	0.24
199.0692596	0.33
201.1283112	0.19
203.3607483	0.06
205.9358978	100.00
207.0993500	1.65
208.2701111	0.16
215.1985779	0.33
225.9224396	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	549.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
204.0237885	0.02
205.2579346	0.02
207.0914001	0.22
323.3007202	0.27
329.3103027	0.08
341.2285156	0.10
369.3389893	0.01
390.6329346	0.02
459.5414429	0.01
473.4918213	0.08
488.2155151	0.02
503.2948608	100.00
503.9291382	0.34
511.1520386	0.06
513.3811035	0.09
514.4517822	0.09
530.1941528	0.06
531.2134399	0.04
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
84.989151	0.24
89.06929016	0.09
90.76298523	0.29
92.9406662	0.51
94.9730072	1.34
96.9421463	1.10
99.01172638	0.89
107.1741333	0.04
109.0291748	1.87
111.0555649	0.87
112.9089813	0.75
115.0218811	0.47
118.9653931	0.28
121.0964203	1.19
123.0967941	2.54
124.8147583	1.02
126.4534073	0.20
127.2199326	0.07
129.1231842	0.51
132.9233246	0.93
134.9945679	1.24
135.9644623	0.06
136.9932251	1.28
139.0428162	4.76
141.0865173	0.95
143.2267761	0.44
145.0820923	0.15
147.0657043	0.60
149.0388489	1.00
150.9716187	0.72
153.0682373	1.50
155.1502991	0.54
157.0932922	0.35
158.9342651	0.74
161.1485596	0.93
163.0154114	0.42
164.0236969	0.21
165.2233429	0.08
166.9917908	0.80
168.8511353	0.38
171.1306915	0.32
173.0771332	0.48
175.2276001	0.61
177.1000214	0.89
179.1430054	0.80
181.1789551	0.98
183.1335602	1.15
185.2280579	0.72
189.1835938	1.34
190.9697876	0.24
193.3411255	0.63
195.1203613	1.97
197.0808258	6.06
199.0794678	1.43
200.2386475	0.11
201.3301392	0.48
203.0355225	1.04
205.438385	0.13
206.3634949	0.20
207.1166992	1.33
208.0718994	0.09
209.2078247	2.03
211.1347046	1.92
213.207428	1.44
214.6083069	0.11
215.2975159	0.32
217.1724243	0.27
219.438324	2.01
221.2654724	4.23
222.1611023	0.07
223.2601318	1.06
225.0273743	1.40
227.1643677	1.25
233.397583	0.47
234.5354614	0.19
235.315033	0.26
236.3153076	1.07
237.2222595	6.90
239.1521606	14.45
241.3197937	1.02
243.2841187	1.07
248.322052	0.11
251.2786255	1.25
252.7874451	0.11
253.4134521	0.41
255.1100464	1.94
256.824585	1.19
257.5138245	0.08
261.3486938	3.88
262.2502441	0.49
263.3568726	0.19
265.3894653	0.21
269.2442017	0.63
276.5492554	0.24
279.2258606	100.00
280.2646484	0.38
281.2529297	0.76
288.3518982	0.36
296.6295776	0.96
297.3985596	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	351.0565
Annotation	4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate
Peak:m/z	Relative Intensity
101.1377869	0.02
113.1537476	0.09
114.9284668	2.02
119.0066528	0.06
127.1182404	0.05
131.0612488	0.07
149.0022125	0.02
171.1844482	0.04
175.0043640	100.00
182.9583740	0.06
189.0938721	0.04
191.9568176	0.02
279.1366272	0.05
280.2828674	0.03
305.1062622	0.12
307.2364502	0.02
323.2158203	0.08
333.2111511	0.12
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
115.0215912	6.24
115.9377289	2.68
117.0449219	3.23
131.0195770	0.48
132.0404968	0.24
133.0419617	0.16
158.9734955	100.00
159.9667969	53.38
160.9437561	59.53
199.4093628	0.22
200.0281677	1.28
201.0702820	2.70
217.2381592	0.19
218.0658569	0.84
219.0084534	1.95
229.8972473	22.70
231.0161743	33.76
233.1795349	0.04
246.0791931	0.33
247.1083374	0.82
257.3459473	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	350.1
Annotation	S-(Formylmethyl)glutathione
Peak:m/z	Relative Intensity
106.8095856	0.05
111.0901947	0.14
112.0740662	0.06
114.0447922	0.14
115.8238831	0.05
123.0500183	0.07
132.0448608	0.36
133.0229187	0.81
135.9695740	0.32
143.8672485	0.66
151.1035309	0.35
161.4094086	0.30
162.0541992	1.59
165.1588135	0.26
167.0765686	0.06
172.1310577	0.15
172.9782257	0.17
176.2855835	0.09
179.0441895	10.53
194.3951111	0.11
195.1259155	0.36
196.2546997	0.09
202.2624207	0.08
204.0046082	0.15
209.1762848	1.52
217.3446655	0.06
223.0507507	0.19
226.2176819	0.08
230.0681458	0.18
231.1626892	0.14
246.9408264	0.97
248.1488037	0.13
253.1689758	0.05
257.1475220	1.75
259.5560303	1.31
260.3061523	0.08
265.2507935	0.05
268.4977722	0.15
269.1142273	0.17
275.0485535	100.00
277.0700073	0.13
279.3830261	0.08
280.0495911	0.51
282.3369751	0.17
283.1245728	0.41
284.9212646	0.24
286.2254639	0.30
288.3725281	0.07
289.6508484	0.26
290.3754272	0.39
294.0974121	0.07
295.3367615	0.07
298.0984192	0.31
303.3806152	0.60
304.1280212	0.82
305.2645874	0.13
305.9778442	0.08
308.2630005	0.06
309.0692139	0.27
312.9301758	0.22
314.0534058	0.84
315.2755737	0.13
321.8108521	0.08
324.2478638	0.14
324.9349670	0.12
326.4380493	0.40
329.4734802	0.14
331.4637451	1.44
332.2014160	6.72
333.2201233	0.15
334.8029480	0.21
338.6661072	0.19
339.2833557	0.22
340.7784119	0.12
349.3329468	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	206.89
Annotation	Unknow
Peak:m/z	Relative Intensity
113.1035614	0.01
122.8074036	100.00
133.0960083	0.01
176.2271118	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	399.1657
Annotation	Corchoionoside B
Peak:m/z	Relative Intensity
116.9576797	0.17
127.2775116	0.07
130.0414276	0.04
131.0460510	0.05
133.0659027	0.48
134.1434937	0.05
142.0608673	0.03
142.8869019	0.27
144.2185822	0.04
145.1300049	0.62
146.9948730	0.04
157.0668488	1.73
158.1303253	0.81
159.0785828	1.12
160.1505127	10.29
161.0876770	1.89
173.0344849	4.28
175.0455017	44.18
176.1512451	8.30
178.0267639	0.10
178.9551086	0.35
196.1149597	0.06
219.0786438	100.00
220.0760040	13.60
223.2086029	0.04
237.7574463	0.08
241.1943054	0.09
243.1723938	0.16
244.2873535	0.08
255.5018616	0.08
283.1020813	0.26
299.9047852	0.09
301.9876099	0.04
306.4356079	0.05
309.2319031	0.08
311.0838318	0.21
312.2925720	0.24
314.4442139	0.13
320.5712280	0.05
322.2452393	0.04
326.0047607	0.19
327.3246460	0.07
328.4852295	0.14
332.3123169	0.06
338.3668823	0.08
346.2156372	0.12
353.3352356	0.08
354.3459473	0.37
356.1408997	0.22
357.1094666	0.11
362.3522949	0.04
364.0848999	1.54
371.2369690	0.02
372.4739075	0.14
379.1345520	0.14
380.1710510	0.02
381.4671631	0.42
382.3957520	0.14
384.3617859	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0988
Annotation	Gliovictin
Peak:m/z	Relative Intensity
100.9622421	0.54
118.8484497	0.06
146.4659119	0.95
147.1093903	7.58
159.2415771	0.08
161.1459656	12.48
165.1830139	0.28
171.2406311	0.49
173.2457275	0.42
175.0984344	80.70
177.0389709	0.23
179.2205658	0.25
180.1070557	0.06
182.9625244	0.10
185.2767639	0.19
187.1965027	0.32
189.0452881	100.00
191.1138611	1.67
199.4405518	0.04
200.0414734	0.12
201.2448273	0.35
203.1177826	0.39
205.2919312	0.24
215.0760498	1.07
215.7578125	0.05
217.0707703	0.50
219.0487061	43.33
221.1705322	0.12
227.0906067	0.21
231.1594238	1.46
233.1083679	94.19
238.2085266	0.26
239.2965088	0.04
244.5523987	0.06
245.4023132	0.11
247.2944641	0.36
248.1048279	0.12
255.1820068	0.14
256.0455322	0.12
257.1020508	0.04
259.3552856	0.06
260.3818970	0.23
261.1943359	0.40
263.1885986	2.40
264.2391968	0.09
265.1608887	0.13
271.9638672	0.05
275.2040710	0.39
279.1198120	0.15
281.2194519	7.43
288.9559326	0.18
291.2869568	4.27
293.0239563	0.48
299.0425720	0.51
306.4179993	0.27
307.1862183	1.61
308.0316162	0.10
309.1954956	7.37
317.1691589	0.42
322.9780273	0.11
325.1901855	5.67
326.0217285	0.28
333.0692749	0.29
335.2417603	52.36
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
92.95845032	0.24
95.0819397	0.27
96.84417725	0.89
98.91196442	0.31
119.1518402	0.29
139.116394	0.20
152.8741455	0.17
156.1790619	1.25
170.0012817	4.56
171.151947	0.60
183.0032349	100.00
184.0875549	14.45
185.0396118	0.58
188.8534088	0.14
197.0597839	15.13
198.0887756	8.40
199.1251526	0.44
204.0921326	0.34
211.1446228	2.80
212.0463257	1.81
213.3590698	0.55
216.8262939	0.27
225.1651306	2.06
226.1078186	1.20
227.5075684	0.27
229.551239	0.31
234.2902527	0.21
237.1358948	0.28
238.303833	0.52
239.3267822	5.27
240.2759705	1.71
241.2822266	0.58
243.4735718	0.37
247.3537292	5.30
248.3694458	1.94
249.3475037	2.77
250.5619812	0.24
251.4772339	0.28
253.2520752	1.50
254.3670349	1.14
255.281189	0.37
263.561615	0.25
265.4767151	0.87
266.2186279	0.14
267.2961426	6.75
268.1230469	1.49
269.1419373	0.24
275.5276489	0.48
281.1135864	0.42
283.2253418	0.45
292.4622192	0.21
293.3520508	10.62
295.3418274	1.21
296.2705688	0.34
311.348877	17.15
312.3080444	2.01
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
84.88230133	0.19
93.01921082	0.38
94.80283356	2.00
97.10243225	0.24
98.233284	0.12
98.96875	0.39
100.9190216	0.39
102.9348602	0.42
106.9125214	0.12
108.9331055	1.96
111.0516205	0.67
112.812439	0.50
116.9847183	0.09
119.0973969	0.34
119.9109344	0.58
120.9412994	0.82
123.009903	2.57
124.0279999	0.11
124.9476776	0.40
127.0866089	0.47
133.1198273	1.72
134.9933472	0.73
137.2044067	0.18
139.0502777	3.29
141.0144196	0.83
143.000885	0.72
144.7809448	0.29
147.1269531	0.16
148.9483948	0.29
150.9981384	0.46
153.14151	1.06
155.1761475	0.68
156.0184021	0.19
157.1288147	0.30
158.8707886	1.05
161.0981293	2.09
163.1262207	0.62
165.0677795	1.13
167.0818329	0.68
169.0468903	1.49
171.1146851	0.17
171.8754578	0.26
175.2320862	0.34
177.2533417	0.18
178.0835571	0.16
179.2299957	0.58
181.139328	1.99
183.0296326	2.58
184.3935852	0.23
185.0241394	0.80
189.5254211	0.66
191.0655212	0.38
193.0656586	1.08
195.2094116	0.75
197.0847168	4.16
199.1933594	1.21
200.5671692	0.36
201.2181091	0.52
203.1983032	1.36
205.2991943	0.44
207.1379089	2.09
209.2575378	1.08
211.1716309	3.83
212.5409851	0.12
213.2994385	0.58
214.8356018	0.77
215.8945923	0.70
217.1769104	0.20
219.1737671	2.49
221.2537842	2.43
223.2945557	0.45
225.108429	0.52
227.1395569	1.16
229.2003174	0.77
233.2168274	1.98
235.0600281	0.57
237.2243652	3.97
239.2329407	11.46
241.5892029	0.70
243.0351562	0.57
245.2486572	0.17
250.4902954	0.49
251.1936646	2.28
253.1445923	1.37
254.2839661	0.16
255.210968	1.36
255.8860474	0.97
257.1385498	1.77
260.3189087	0.07
261.1798096	4.75
269.2249146	0.56
271.2844238	0.73
275.2818909	0.30
275.9955444	0.09
276.7945557	0.69
279.2329712	100.00
280.0757446	0.72
281.0759583	0.81
288.1101685	0.54
298.8876343	0.21
306.3478088	0.11
309.4386902	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	384.11
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
130.1278687	0.05
133.1624756	0.05
135.8562927	0.35
145.1161957	0.04
157.0725555	0.20
165.9936066	0.17
169.0739899	0.18
174.9807129	0.09
185.0290070	0.09
189.8385925	0.15
195.1210632	0.14
206.1567383	0.27
216.2767792	0.05
220.2869873	0.47
221.2680969	0.21
234.0939026	0.75
237.1600952	0.11
238.2470093	1.32
239.3761902	0.08
249.3126526	0.09
252.0703735	100.00
254.3887634	0.10
256.4333496	0.33
264.1608276	0.12
267.0846252	0.10
269.4537964	0.14
279.5883484	0.09
280.9547424	0.06
291.4320374	0.13
293.4262085	0.31
295.3555603	0.31
302.7744141	0.25
321.3199158	0.27
322.1669922	0.19
323.2189941	0.10
324.1472778	0.24
326.3101807	0.39
330.4990234	0.15
337.3049927	0.21
338.2416687	0.14
339.7964478	0.15
341.3059082	0.31
343.5862427	0.19
347.5125122	0.12
349.2703247	0.64
354.1165161	0.28
355.9616699	0.36
356.6271057	0.13
365.1899109	0.94
366.3064270	2.14
367.3497009	4.73
376.6115723	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	677.2815
Annotation	1-(2-methylpropanoyl)-3-acetyl-11-methoxymeliacarpinin
Peak:m/z	Relative Intensity
308.4674072	0.08
319.7201538	0.17
402.3662720	0.36
403.2553101	0.17
421.3411865	0.35
443.3130493	0.08
444.6991577	0.26
448.2678833	0.12
463.5386353	0.36
464.4775391	0.09
470.5750122	0.21
478.5025024	0.07
488.3731689	1.92
489.3146973	1.32
490.6054688	0.09
499.4545288	0.18
507.5156250	0.12
508.2908325	0.32
520.3517456	23.47
521.4172363	9.07
523.1566772	0.06
525.0699463	0.09
541.4786987	1.10
542.4332275	0.65
546.1689453	0.08
550.7415771	0.45
573.6048584	0.08
580.7177124	0.20
583.4688110	0.62
585.3944092	16.41
586.5151978	10.20
592.6974487	0.08
597.4180298	0.18
599.4163208	0.11
601.4155884	0.49
602.6182251	1.22
613.9659424	0.46
615.2863159	0.09
617.3934326	91.37
618.3890991	36.95
619.0352173	0.33
627.4061890	18.45
628.4776001	10.85
631.2710571	0.27
632.3682251	0.19
633.4161987	0.70
641.5833130	0.22
645.4081421	100.00
646.4124146	55.71
647.0302124	0.21
656.2345581	1.10
659.4055176	47.43
660.3701172	26.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2831
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
112.8117828	1.86
115.5348053	1.15
119.1695251	2.03
123.0943298	1.59
127.005661	1.33
137.1423187	1.24
138.7608185	1.85
141.109436	1.97
143.0401001	1.65
147.1099548	2.18
149.0235748	100.00
149.9523926	48.36
153.1489563	1.05
154.9165649	1.07
159.1069946	0.98
167.0014801	38.90
167.901886	12.15
170.114502	0.63
171.1234741	1.83
175.0192566	3.45
176.9984436	3.67
179.2097473	2.60
183.0836487	0.80
185.125473	2.71
189.2187653	2.67
191.3901672	2.04
195.1076965	2.71
198.8811646	10.85
202.8296661	9.49
205.9781494	1.15
207.156189	2.74
209.6837158	7.92
211.143692	2.73
214.9768829	1.85
218.0006104	1.42
220.9720764	2.03
227.1183167	0.54
230.3859253	2.55
231.0416565	1.74
239.0565186	1.94
255.2874146	0.74
257.1760559	4.89
260.1508179	14.19
260.8666687	13.17
261.7493896	4.11
265.2755432	4.57
273.93573	1.15
275.1297302	1.42
278.994812	18.67
280.1066284	28.96
280.8951721	3.38
287.1018677	3.71
290.1701965	2.76
297.2799072	2.46
302.1472168	13.01
305.3948364	3.60
309.18927	3.07
315.1691284	0.89
317.947937	2.91
318.6484375	3.57
319.3061218	2.47
320.3043213	5.41
323.1866455	5.20
324.9759521	3.83
327.4563293	1.75
328.4773865	3.82
329.6200256	0.98
330.4111938	2.29
333.4162903	2.45
334.6465454	2.43
335.4993896	5.51
342.8684082	8.35
343.7573853	1.23
345.9282532	3.88
347.7073975	4.02
350.2418213	5.50
351.1610718	13.17
355.7817383	2.38
357.0170288	13.53
360.3467102	1.15
361.3300781	2.38
367.3283081	3.93
368.9334412	3.68
374.0721741	33.56
375.1563721	11.12
377.285675	5.50
382.8916016	3.37
388.445282	3.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	650.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
305.3289795	0.09
322.7482300	0.49
323.3680420	0.52
341.1222534	0.22
357.1893921	0.06
383.0653076	0.40
411.4877319	0.07
443.0324097	0.60
444.0001831	0.07
470.2313232	0.09
503.3144531	100.00
504.3319092	5.68
560.5714722	0.09
590.4691772	0.09
625.0231934	0.03
632.3759766	0.44
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
91.00986481	0.64
92.84137726	0.08
94.98957825	0.52
96.98085785	1.70
98.04524231	0.12
98.91950989	0.47
101.1800232	0.36
102.968399	0.42
105.1312256	0.21
106.9598618	0.54
109.0484924	3.12
111.0852051	0.90
112.9713974	0.64
115.0497742	0.81
119.0522079	0.33
121.020256	0.70
122.9873962	0.77
124.9812775	0.91
127.1728668	0.12
128.9865417	0.28
131.1580505	0.51
132.9732361	0.07
134.9563293	1.11
137.1967773	1.02
139.2332153	2.77
140.8765717	0.34
143.0151367	0.25
145.1345062	0.22
147.1509705	0.74
149.0339661	1.18
151.1417847	1.33
152.8093872	1.09
155.1810608	0.73
157.3586426	0.10
159.204834	0.59
161.0063324	0.74
162.9287415	0.74
165.0535583	0.40
167.1690826	1.48
169.0330505	1.47
171.1375885	1.36
173.2485352	0.51
175.1529083	1.01
177.1721497	2.15
179.1215515	1.17
181.0830536	1.65
183.1466522	2.64
184.9762573	0.88
187.309906	2.23
189.041153	0.77
191.0805664	0.61
193.2883911	0.60
195.0977478	0.99
197.0588074	4.37
199.1755981	0.72
201.2197876	0.76
203.2652283	0.45
205.2357483	0.31
206.8844604	0.13
208.0470581	0.16
209.2142639	2.00
211.230011	2.86
213.1677246	2.51
214.6151123	0.55
217.2367859	0.27
219.3001404	2.13
220.301178	0.09
221.2491455	2.67
221.9504089	0.18
223.1454163	0.58
225.3126221	0.74
227.2563782	1.14
228.8275757	0.25
233.1809387	4.39
234.2151794	0.13
235.2476807	1.26
236.4198303	0.14
237.2850037	7.37
239.2388611	12.49
240.2469482	0.13
241.1616211	0.58
243.2778931	2.52
248.3475342	0.61
251.2085571	3.42
252.7046204	1.57
253.3487549	2.07
255.2304688	3.09
257.1046753	2.21
259.2125244	0.14
261.3366699	4.72
262.1672363	0.14
263.4072266	0.14
265.3383789	0.62
269.0734253	1.07
279.2382507	100.00
280.1656494	0.30
281.2901611	1.43
287.8169556	1.13
296.4821777	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	293.2105
Annotation	10-OPDA
Peak:m/z	Relative Intensity
91.1254349	0.03
93.0350647	0.14
94.9060059	0.01
96.9433212	0.03
101.1227417	0.05
104.9032059	0.20
106.9638290	0.07
108.9826202	0.02
110.9336624	0.02
119.0872650	0.08
121.0413589	0.23
122.9542618	0.06
125.2295227	0.06
130.9918823	0.53
133.0676727	0.38
135.2547302	0.05
136.7759399	0.02
139.1050415	0.09
139.8554382	0.01
140.9914856	0.04
142.9467468	0.13
145.0505829	0.22
146.9146423	0.54
149.0446167	0.19
151.1273193	1.55
152.8624268	0.04
154.8074646	0.08
155.4259491	0.03
157.1218872	0.34
159.0268707	0.23
161.0130310	0.26
163.1498871	0.21
165.1264191	0.01
169.1423950	0.07
171.1235962	0.31
172.1224976	0.02
173.1652374	0.13
175.0947113	0.60
177.2297821	0.05
179.1809845	0.03
181.0575104	0.01
183.2664948	0.10
185.3241882	0.02
187.2457275	0.15
188.9193268	0.18
190.9150238	0.13
191.9733429	0.04
193.2392273	0.17
195.0720520	0.02
197.1189423	0.19
199.0687866	0.14
201.1624451	0.24
205.2723083	0.07
207.0415649	0.10
208.0791321	0.06
211.2241516	0.12
213.2337036	0.05
215.2966919	0.53
217.2399597	0.13
219.1202087	0.86
221.2229919	0.03
223.2138672	0.05
229.2060852	0.24
231.1916199	0.28
233.1855774	0.21
235.1502075	0.13
237.1862488	0.29
239.2034302	1.07
245.4075317	0.05
247.2151489	0.47
249.2365723	0.26
251.2000122	0.07
253.6574097	0.01
257.2235718	6.48
257.8438721	0.02
265.3874817	0.06
272.9857788	0.03
275.2271423	100.00
276.2630005	0.04
284.0597229	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	666.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
192.2113495	0.12
193.1269226	0.07
196.0262909	0.14
200.0947723	0.05
202.1237488	0.20
203.0788879	0.02
205.0925598	0.25
218.1646423	0.12
220.1693726	6.23
221.2084656	0.13
222.5094604	0.08
230.9250488	0.08
236.0746307	0.16
238.1511841	6.87
238.7543640	0.02
256.2456360	100.00
256.8546753	0.33
257.5527649	0.07
270.9132080	0.04
273.8390198	0.04
276.0198364	0.02
280.3068848	0.09
308.4395142	0.05
313.2503052	0.09
331.4966431	0.07
341.4368286	0.02
345.1936646	0.07
350.9918213	0.05
370.4752197	0.06
382.6869507	0.04
388.4832153	0.03
400.4721069	1.95
406.2708130	0.12
418.6320190	0.13
442.3260498	0.12
460.5129395	1.92
502.4172363	0.12
504.5092163	1.28
518.2626953	0.07
519.2177124	0.03
530.5545044	0.09
533.4462280	0.17
562.7241821	0.11
580.4746094	1.15
602.1869507	0.05
604.0068970	0.05
604.6099243	0.64
622.5273438	34.54
647.6129761	0.06
648.5477295	0.37
650.2857666	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	418.242
Annotation	Mycalamide C
Peak:m/z	Relative Intensity
127.8881226	0.02
145.0930634	0.03
151.8591766	0.03
157.4413452	0.02
162.6071472	0.04
168.1805267	0.01
179.3933411	0.02
202.2301331	0.02
203.1490173	0.02
211.2688599	0.03
218.2090149	0.01
220.2162018	1.27
221.3848572	0.01
234.2832336	0.02
236.5502625	0.01
238.2223511	7.67
239.2768555	0.03
250.2826843	0.03
256.2206726	11.93
256.8395996	0.04
262.2768860	0.04
271.3615723	0.04
274.4302368	0.01
280.2017517	0.59
280.9262695	0.01
284.0864563	0.03
286.3676758	0.02
287.2884827	0.06
289.0569153	0.02
292.2990417	0.07
298.3781128	9.12
304.2000122	0.04
310.2167053	0.07
316.4105225	0.03
317.4048157	0.03
318.1079102	0.02
322.3798828	2.81
323.4260864	0.05
324.3871765	0.02
326.6157227	0.06
328.2593689	1.38
329.5807800	0.04
334.4008484	0.08
339.5195923	0.04
340.5156860	0.19
341.9726562	0.02
346.3184509	0.07
352.5509949	0.08
358.4667664	0.28
364.3612976	0.46
370.3860779	0.03
377.2875061	0.01
382.3674622	12.08
383.2998352	0.11
388.2292175	0.07
390.1181946	0.04
400.3699646	100.00
401.4276428	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	492.2
Annotation	Grossamide K
Peak:m/z	Relative Intensity
149.0843201	0.09
161.9282227	0.31
164.9450073	0.17
167.0298920	0.15
174.0589752	0.09
176.4442749	0.06
177.2275085	0.06
179.2166138	0.19
182.9593048	0.07
186.0660706	0.12
189.0099945	0.26
192.2950439	0.15
194.2109985	0.16
198.4533386	0.06
199.2560730	0.04
203.2915649	0.68
204.0192566	0.34
205.2386475	0.13
206.0311279	0.22
206.9256897	0.05
217.0756683	0.32
220.2461700	0.15
226.5229492	0.38
234.0830383	0.13
236.3544006	0.18
237.0447540	0.36
238.3585205	0.95
239.3614197	0.08
240.3032684	0.49
249.1553345	0.14
254.3605347	1.41
255.1906128	0.50
256.1837158	0.32
257.2968750	0.32
260.1249390	0.79
262.2785339	0.10
267.0639343	0.07
267.9193420	0.06
268.6859131	0.14
274.2940369	0.07
286.8378296	0.09
299.7832642	0.10
306.3148804	0.20
308.2944946	0.62
309.2539062	0.85
310.1984558	0.66
312.2652893	0.44
313.4173584	0.19
319.0980530	0.13
327.1695557	2.86
328.2014771	0.85
330.0871582	0.06
342.5072021	0.22
345.2651978	11.96
346.2843628	4.25
357.1846313	0.06
359.2508850	0.18
361.3543091	0.05
363.2082520	100.00
363.8487549	0.35
370.8554382	0.24
374.2931519	0.17
393.5154724	0.14
399.0559082	0.35
410.2572021	0.17
411.5663452	0.30
413.5578918	0.17
416.3187866	0.09
417.3722229	9.63
428.9839478	0.13
432.5787354	0.23
443.4450073	0.36
447.5044556	0.50
450.4406433	0.24
454.4582214	0.13
456.0692444	0.10
462.0911560	0.30
464.7233582	0.28
473.4534607	0.91
474.3599548	2.43
475.4114075	0.34
482.7850952	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	573.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
169.0524292	0.09
171.0161743	0.03
174.9503326	0.46
182.9748840	0.04
185.1031799	0.07
187.0514984	0.47
195.0252991	0.07
196.6795807	0.04
198.9702606	0.93
200.9472961	0.15
204.8377228	0.14
211.1028137	0.19
216.3717957	0.13
217.0127258	0.47
229.1303101	0.20
231.0011902	0.19
232.9471436	0.21
234.9683380	0.76
239.1328888	0.13
241.2798462	0.11
246.8174744	0.14
252.8679199	0.14
255.7460480	0.03
257.3309021	0.03
259.0415649	0.46
260.8382568	0.03
265.1988525	0.02
271.0715027	0.37
277.0210571	37.97
278.4502563	0.07
285.0981140	0.06
289.0860596	4.28
291.0781250	3.22
295.0164795	0.21
297.1632080	0.02
300.1292725	0.03
301.1776123	0.09
303.1063843	0.26
304.7283936	0.32
306.9481812	31.34
308.0277100	0.10
308.9957886	0.12
312.9981079	0.09
315.0407410	0.05
318.9734497	0.57
320.8847656	0.22
327.0961914	0.18
328.9629517	0.07
331.0886230	0.23
333.0535278	0.82
334.8530884	0.17
336.2020874	1.19
336.9849243	13.55
345.2431030	0.27
347.1031494	0.26
348.9967651	0.14
349.8967896	0.07
351.0687866	9.41
361.1109009	0.26
363.1417847	0.21
365.0676880	0.59
366.1683960	0.24
366.9786377	0.96
373.1000366	0.50
374.3892212	0.04
375.1242065	0.22
377.1962280	0.62
379.0199585	1.15
380.2413940	0.06
391.2141724	0.15
393.1884766	15.32
395.2714844	1.04
396.9784546	100.00
397.7612915	0.25
399.1444092	0.02
402.0362549	0.05
402.9047852	0.09
409.0423584	0.54
410.3463745	4.04
411.1387329	46.72
419.3723755	0.01
425.0692139	0.06
432.3740234	0.09
433.3121948	0.04
441.1438599	0.02
443.2803345	0.02
453.0066528	2.00
455.4760742	0.05
465.0560303	1.59
468.2128906	0.03
473.7868652	0.02
482.4567261	0.29
483.0895996	1.17
484.0049438	0.04
484.9313965	0.04
492.9629517	0.34
493.5672607	0.04
497.4246826	0.11
501.2750244	0.13
506.4589844	0.03
512.9398193	0.88
513.6809692	0.01
518.1820068	0.06
527.5243530	0.03
529.2250366	0.03
530.0414429	0.02
552.8273315	0.22
554.2454224	0.05
555.2715454	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	474.2623
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
134.8725891	0.05
139.9917450	0.09
152.8403625	0.14
154.0185242	0.02
169.1732788	0.02
179.1633911	0.04
181.3368683	0.03
196.0565796	1.96
197.2024231	0.17
205.8829346	0.10
214.1513519	1.85
215.2933044	0.29
225.2286682	0.05
233.2729492	0.42
234.3149261	0.25
236.2196808	0.03
248.8817444	0.14
259.2473145	0.20
261.4414368	0.09
271.4590149	0.10
275.3661804	0.52
277.3067932	100.00
278.3474426	23.63
307.1460571	0.03
333.1458740	0.08
335.2369690	0.02
341.1574707	0.09
345.2240906	0.02
386.3916321	0.02
403.4678345	0.15
413.1708679	0.44
420.7211609	0.06
421.3796692	0.03
429.1623230	0.06
429.8271790	0.04
431.2908630	0.20
432.4465637	0.05
444.9496460	0.02
446.2807007	0.06
457.1323547	0.13
458.1094055	0.05
460.5321655	0.06
475.4020386	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	567.83
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9342194	0.23
209.0507965	0.09
229.1434784	0.07
232.1318817	0.85
252.1958008	0.05
290.7505493	0.73
293.0203247	0.46
315.9597778	7.66
336.7854614	0.05
354.0023804	1.18
354.8736572	0.07
355.4749756	0.04
393.1913452	0.22
394.6697998	0.25
397.0323486	0.06
399.8106689	28.28
400.4219971	0.11
411.1546021	0.06
412.2490845	0.81
413.2510986	0.05
416.3076172	0.06
429.5656738	0.29
433.1964111	0.08
437.9455566	7.10
457.8013306	0.08
470.1660156	0.37
477.1499023	0.09
480.8474731	0.38
481.9878540	0.27
483.8267822	52.41
521.7359009	100.00
522.4284058	0.29
523.1400146	0.41
549.6954956	0.22
550.3087769	0.07
559.6799927	0.74
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	507.2076
Annotation	Patrinoside
Peak:m/z	Relative Intensity
131.1503601	0.12
149.0808258	0.92
167.0013275	0.09
173.0093231	0.06
191.2848206	0.68
192.0704346	0.04
214.6037445	0.04
220.9371338	0.15
233.0131531	0.23
239.2742615	0.09
243.2469482	0.03
245.0904846	0.03
254.2843323	0.06
275.2460938	0.53
289.3543396	0.09
293.0951233	25.02
294.2113342	1.80
295.2837219	0.04
299.2103882	0.05
311.1069946	0.64
312.1819458	0.12
325.3153076	0.03
339.1360779	2.71
340.2216797	0.13
342.0780334	0.08
352.4265137	0.05
360.7354431	0.09
372.4216309	0.05
375.7393188	0.08
383.0712585	0.05
388.7474976	0.22
410.7001038	0.03
412.2794495	0.12
416.6872253	0.05
419.9525452	0.14
425.3677063	0.12
443.0544434	0.03
461.1321411	100.00
462.2127075	11.28
463.5579224	0.07
470.2433472	0.05
471.2216187	0.22
472.3204956	0.48
489.4220886	0.13
490.1434021	0.08
491.6487732	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	418.242
Annotation	Unknow
Peak:m/z	Relative Intensity
145.0527496	0.03
157.1501312	0.01
163.3406982	0.03
176.0512085	0.01
198.5903931	0.01
200.2085114	0.04
220.2503815	0.44
223.0179443	0.01
235.2662354	0.02
236.2563477	0.02
238.2772522	1.28
244.1378174	0.01
256.2412415	100.00
257.1009521	0.01
262.3183289	0.03
276.3212280	0.02
280.4625854	0.07
293.2985229	0.05
294.9132080	0.02
297.1161194	0.02
298.3667297	0.49
310.4696350	0.02
322.2641907	0.18
328.2001038	0.04
329.2601929	0.02
340.3730164	0.07
347.1476746	0.03
358.2564392	0.40
382.4962463	0.68
400.3528748	7.59
401.3770752	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.9394
Annotation	Unknow
Peak:m/z	Relative Intensity
114.9568024	0.01
158.9481049	0.38
229.0208435	0.19
256.4106750	0.02
272.9591675	100.00
300.9233704	0.04
314.0474243	0.02
339.8995972	0.01
341.1489258	0.11
341.8693237	0.04
360.9993896	0.01
368.0709229	0.02
373.0802917	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	450.2624
Annotation	PE(16:1(9Z)/0:0)
Peak:m/z	Relative Intensity
181.8728333	0.10
196.0567017	0.13
211.9109802	0.12
213.2262115	0.06
214.0667114	1.82
225.2190552	0.03
253.2523193	100.00
254.1485901	0.07
288.2141113	0.06
308.0039368	0.13
364.4943542	0.16
378.2362976	0.11
382.2482910	0.08
387.5018616	0.06
389.0229187	0.19
390.2686157	0.14
403.5490417	0.33
404.6066284	0.19
405.2983704	0.05
407.0600891	0.48
411.9213257	0.10
414.4326477	0.76
431.6328735	0.20
432.5678711	0.18
435.4612427	0.08
449.6415100	0.07
450.6248474	0.26
453.4098511	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	516.26
Annotation	Unknow
Peak:m/z	Relative Intensity
190.9754333	0.10
214.2324524	0.14
231.3079376	0.08
255.3207397	0.40
275.4689941	0.13
306.2896118	0.41
307.3050537	0.23
308.2869873	0.40
317.2539673	0.03
328.3151855	0.08
331.1588745	0.07
354.3458862	0.06
367.4299927	0.14
385.3065186	3.50
387.4962158	0.20
400.3896484	0.06
418.2532959	0.12
427.5197144	0.07
440.2585449	0.13
445.6112671	0.20
454.4232788	0.10
456.3880615	100.00
457.4002075	0.28
470.1051025	1.32
471.5401001	0.11
496.2875366	0.07
497.7834473	0.20
499.5689087	0.93
507.2897339	0.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	329.09
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
107.9679108	0.91
109.9159851	0.07
113.0845947	0.15
115.8879852	0.05
122.9877472	1.07
129.0370178	0.04
145.2479248	0.09
149.4412231	0.10
150.1673889	0.04
152.0454559	3.07
166.9754181	100.00
181.8933411	0.15
189.2924805	0.03
198.9916992	0.19
206.9204254	0.08
209.0936279	0.67
212.8699951	0.05
217.1632690	0.09
222.0075989	0.09
228.0782776	0.06
229.1455688	0.20
233.1846008	0.19
239.3902283	0.04
240.1289062	0.22
242.5997314	0.21
246.4826965	0.40
247.2126160	0.06
249.1405640	0.12
257.0591431	0.05
258.0062256	0.11
267.1120605	0.11
270.9187317	0.21
281.8049316	0.19
283.1805420	1.32
285.1128845	1.04
286.3417969	0.07
290.8541260	0.50
293.0222778	1.44
309.1474609	0.23
310.7214050	0.24
314.0897217	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	554.64
Annotation	Unknow
Peak:m/z	Relative Intensity
175.1327972	0.02
195.8117065	0.01
198.1557007	0.01
206.9189911	0.08
212.9803162	0.55
214.0982056	0.01
215.2535706	0.05
292.9998779	0.04
296.9942627	0.07
342.5411377	0.02
362.3618774	0.01
380.1738281	0.36
380.8444824	0.07
382.0023193	0.05
383.0613403	0.02
384.7822876	0.18
386.9210815	1.12
400.2951050	0.11
401.2999268	0.02
411.9600220	0.01
418.1719360	3.27
419.2351074	0.48
425.0491943	0.01
433.7709961	0.02
464.3174438	0.13
467.3120117	0.05
468.8321533	0.38
470.7560425	100.00
482.0177612	0.05
483.1066284	0.02
486.1826172	0.04
507.7038574	0.02
508.9970093	0.02
511.6782837	0.16
512.7361450	6.03
513.5911865	0.26
514.4828491	0.03
515.3811646	0.11
517.2812500	0.02
519.5902710	0.01
531.8693848	0.01
536.0538940	3.08
537.1244507	0.30
560.3697510	0.03
561.0780029	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	380.1557
Annotation	(R)-Pantothenic acid 4'-O-b-D-glucoside
Peak:m/z	Relative Intensity
111.0513916	0.04
112.1201324	0.03
113.0987320	0.35
113.8109894	0.05
116.0636368	0.71
119.0960770	0.17
124.0154800	0.06
125.0659485	0.09
126.0367737	0.05
128.1221924	0.57
128.9776001	0.29
141.6853943	0.05
143.0610046	0.49
144.1543274	0.11
146.0386658	57.12
147.1375275	4.61
151.0771027	0.04
153.2130127	0.04
154.1776733	0.01
158.1967010	0.03
158.8301392	0.02
161.0798645	1.71
162.2759705	0.14
170.0153198	0.20
171.0276184	0.04
173.2217407	0.42
174.1806335	1.04
175.2221680	0.04
178.8685608	0.23
179.9742279	0.02
184.3207855	0.04
188.2261658	0.46
189.2123566	0.08
192.3424377	0.03
198.4304810	0.02
200.0873871	3.31
201.0646362	0.27
212.3095093	0.04
213.0955505	0.03
216.0345764	0.03
218.1846008	5.37
219.2227783	0.37
226.3093262	0.02
233.3366089	0.03
242.0386658	0.16
245.0160522	0.09
248.4471130	0.04
249.3134460	0.02
252.4930420	0.02
254.1562500	0.02
258.4891663	0.04
259.2821045	0.02
260.2342834	0.82
261.3036499	0.11
263.2075195	2.45
264.2456055	0.33
272.2510986	0.40
273.2290955	0.04
284.3266296	0.05
288.2340088	0.06
290.1942444	14.45
291.2460327	2.40
292.0886536	0.03
303.1811523	0.02
308.2347412	69.92
309.3065186	9.42
314.1763916	0.05
318.3208008	0.09
319.3196716	0.05
320.3318787	0.07
326.3775330	0.07
327.4188843	0.10
335.2400818	0.03
335.9432678	0.29
336.5583496	0.03
337.2818298	0.15
344.2609863	0.25
345.4621277	0.23
360.3877869	0.03
362.2711182	100.00
363.3585815	14.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.0771
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
92.9450836	2.22
109.0487518	0.14
119.1779022	0.30
136.9265137	100.00
140.9659729	0.18
143.0233765	0.13
153.0015411	0.13
157.0113831	0.13
159.1453094	0.20
162.0845184	0.07
167.3612518	0.12
174.3054352	0.10
196.2372437	0.15
199.1847229	0.13
200.8612061	0.07
203.1116943	0.80
206.9172363	0.08
210.9628906	0.12
215.2459106	0.27
225.2846680	0.06
227.1329041	0.06
230.7277222	0.15
236.2648926	0.04
237.1184998	0.10
238.9396973	0.81
239.6068420	0.04
241.0612183	0.15
242.3199463	0.06
243.2066345	0.05
253.1398315	0.91
254.9831543	1.05
261.9789734	0.11
263.1607971	0.42
267.1853638	0.11
268.3797607	0.09
269.1898499	0.25
271.1256409	0.25
272.0781860	0.14
278.8759766	0.08
280.1640015	0.21
281.1658936	0.64
283.2969055	0.20
284.2079468	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2206
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
90.95855713	0.41
92.96282959	0.31
95.06991577	0.48
96.91212463	0.50
101.0976486	0.88
107.1194839	1.00
108.0232391	0.45
108.8191376	0.44
111.1760559	0.29
113.0208435	0.25
119.0892715	0.41
122.8454895	0.91
125.1212692	0.10
127.0502014	0.87
132.8495789	0.82
134.9942322	1.48
135.8581238	0.59
136.8882294	0.40
139.0178375	1.69
141.1240997	0.78
143.0125427	1.41
143.864563	0.42
145.2378845	0.48
147.0262451	0.53
149.1764221	0.46
151.1002808	0.95
152.8804932	0.31
155.2068024	0.58
156.9160767	1.57
161.1742706	0.22
163.0867004	1.01
164.9943085	1.16
166.9829254	1.52
168.950119	1.13
171.1670227	0.19
174.0802612	0.32
175.0689392	1.02
177.0678101	1.52
178.9639587	0.43
179.9267578	0.34
181.0804596	1.41
183.5093079	0.72
184.1557465	0.29
185.0801697	0.65
187.366745	0.24
188.9530182	0.36
189.6206665	1.03
191.2356873	0.79
194.1590729	0.24
195.1074371	3.54
197.1553955	6.31
199.3440247	0.40
201.1660461	0.40
205.1521301	1.13
207.1399536	1.02
209.0310059	0.63
211.0257874	6.44
213.1523132	2.53
215.0750427	1.92
221.3634338	0.65
223.130249	0.33
224.0828247	0.84
225.1916809	4.39
229.1669922	1.29
230.1644592	1.03
231.3130188	0.57
233.2950745	1.37
235.3192749	0.50
236.3953247	1.69
237.2553406	0.94
238.1720581	0.19
239.1534424	3.98
241.2827148	0.94
246.9165955	0.38
249.2738953	1.03
250.309906	0.61
251.2080078	2.78
253.0541382	12.62
255.3740234	0.70
256.1994019	0.19
257.0663452	0.42
265.2123413	2.12
266.3612671	0.41
267.3763123	2.15
269.2374573	2.17
270.1631775	1.12
275.2747192	19.46
276.208313	0.42
277.1085815	0.17
279.3580017	0.15
281.3102112	0.45
283.2476807	4.46
288.3543091	0.76
289.0738525	0.73
291.0296021	1.68
293.2177429	100.00
293.8888245	0.86
295.4507751	0.52
296.2062378	0.29
302.2962036	3.08
302.9500122	1.36
310.4820862	0.41
311.2854004	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1089
Annotation	Lactulose
Peak:m/z	Relative Intensity
97.0615921	0.20
101.0191498	6.63
106.5504684	0.22
113.0206299	22.65
113.6744995	0.14
114.9227142	0.53
119.0596695	16.48
125.0279999	2.52
129.1183167	0.09
130.9848938	7.16
142.9511414	17.91
148.9169006	3.13
160.9495544	18.88
179.0322266	100.00
220.9381714	0.69
242.2268066	0.18
263.0551453	0.40
281.1291504	2.36
322.2582092	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.2781
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
140.1439972	0.18
152.9382782	0.15
196.1327209	1.92
214.0996552	1.70
223.1277924	0.02
225.9566498	0.02
255.3973083	100.00
390.3848572	0.03
391.4018250	0.46
393.5681458	0.06
405.2756042	0.13
406.7133789	0.04
407.3803101	0.06
408.8407898	0.05
409.8103943	0.02
414.3147278	0.02
420.0948792	0.06
423.6561890	0.05
432.9918518	0.04
434.1451721	0.01
435.2624207	0.04
450.0489807	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	187.1324
Annotation	Streptenol D
Peak:m/z	Relative Intensity
55.9129486	0.05
58.8569031	0.40
61.0861321	0.04
70.9169464	5.09
76.9192276	0.42
78.8829956	0.26
80.9125671	6.89
82.8292084	0.05
84.9078369	0.07
90.9343262	0.06
92.9860840	0.86
95.1305084	0.07
96.9445953	1.79
98.9717560	0.59
101.0041046	0.04
105.0385742	0.04
107.0007629	2.28
108.9866791	2.47
111.0027313	1.14
112.9948578	0.75
113.9675293	0.09
115.0538330	0.18
118.8504944	0.06
119.9058838	0.05
121.0644226	0.38
122.0341644	0.04
123.0941772	6.39
124.9023895	0.72
125.9792938	0.08
127.0135956	2.07
128.1139984	0.05
128.9396820	0.28
131.3740082	0.19
133.1237488	2.92
138.9766083	9.13
139.6560059	0.03
141.0592041	1.25
142.8958893	0.40
143.8083649	0.15
145.0563049	0.51
145.9033966	1.20
150.9978180	50.04
154.7474518	0.07
157.0082092	78.41
159.0690155	0.79
162.8931122	0.07
163.8267365	0.24
165.9452820	0.31
167.0579224	0.05
169.0124664	100.00
170.0820923	0.78
177.9860687	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	408.0423
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
118.8625870	0.86
127.7292328	0.58
128.9221802	0.14
132.8563232	0.42
139.0000916	2.52
145.1210022	2.00
163.0018158	1.76
166.0064087	15.84
168.8662872	0.40
178.9749603	0.96
184.1959534	0.42
185.3533325	0.42
193.8387604	0.44
195.0433044	5.87
199.2700195	0.40
212.0234833	23.32
212.8931274	0.19
213.9794006	0.50
215.1546783	3.79
216.8634949	2.19
223.8843994	1.08
227.0256958	2.18
230.0731506	16.66
241.0443115	3.52
253.8455811	0.31
259.0821838	100.00
271.8189087	0.22
275.1204224	38.74
291.0294495	1.17
320.7389832	0.39
328.2168884	20.99
329.1447449	1.76
346.9446411	1.98
348.0989990	0.21
372.3683167	0.27
374.1437988	0.32
376.3584900	0.21
389.3014832	0.78
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	250.072
Annotation	N-Carboxyacetyl-D-phenylalanine
Peak:m/z	Relative Intensity
83.0131454	0.08
88.0200653	1.54
90.9878006	1.68
114.1284943	2.07
114.9915314	1.40
121.1720886	0.07
131.9486847	100.00
135.0278168	7.93
146.1283417	0.03
151.7417755	0.11
175.9236145	0.03
188.0854340	0.21
190.0264282	0.01
192.2418060	0.04
203.2805634	0.06
204.1666412	0.14
205.1383667	0.03
206.1705322	2.28
212.0119781	0.06
222.4326477	0.06
231.1875458	0.23
232.1379395	3.02
251.5067596	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	522.1824
Annotation	Herbicidin E
Peak:m/z	Relative Intensity
160.6794128	0.08
162.9498901	0.06
179.0708466	1.28
180.1528015	0.37
306.3417358	0.02
330.2557983	0.16
341.1721802	100.00
400.4935303	0.03
477.9185181	0.04
504.2210083	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	324.2062
Annotation	Lysergic acid diethylamide
Peak:m/z	Relative Intensity
95.8889084	0.01
98.9124603	0.02
114.8904343	0.01
117.0209351	0.04
120.0879669	0.06
121.0412140	0.04
124.9102402	0.03
129.1569824	0.02
130.0734406	0.03
130.9045258	0.01
132.0855560	0.01
137.9635315	0.03
145.1691895	0.02
145.9213562	0.07
146.9785309	0.03
149.0007935	0.12
151.2073212	0.01
151.9520874	0.07
159.3460999	0.01
164.0485840	0.01
166.1252747	0.10
166.9297333	0.05
168.0947266	0.05
168.9532318	0.01
170.1598663	0.01
177.1068115	0.04
179.9576721	0.11
184.1164093	0.59
191.1774292	0.03
193.3718262	0.04
194.0667267	0.01
197.9807739	0.04
205.1275635	0.02
209.3150330	0.01
209.9810791	0.02
212.0938721	3.16
213.4601135	0.02
222.1794128	0.01
224.3606567	0.02
225.1503906	0.02
236.1925049	0.03
239.1313477	0.07
240.0640869	0.03
241.2276611	0.03
241.9198608	0.06
245.3012390	0.04
247.1584167	0.06
248.4022827	0.05
251.3184204	0.04
252.1593933	0.14
253.1302490	0.01
258.9739075	0.01
265.2781372	0.11
268.1474609	100.00
269.1974792	0.34
270.5078735	0.02
273.6929932	0.04
275.9328613	0.04
277.0866394	0.02
278.6972656	0.10
280.1551514	0.33
281.0466919	0.06
282.0932922	0.04
283.2028809	0.86
284.2208252	0.01
285.3662415	0.05
287.2518921	0.02
289.0520325	0.03
291.9035339	0.11
293.8580017	0.10
296.4292297	0.20
297.1775208	0.01
297.9703979	0.09
299.9197388	0.01
301.0229492	0.30
303.4552917	0.16
305.3992310	0.09
306.2748108	0.24
307.2235107	0.21
308.2318726	0.29
309.3608093	0.03
312.0240479	0.21
314.9123535	0.17
315.6703186	0.07
317.1954041	0.02
323.9560547	0.06
328.7990723	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	580.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
174.0870361	0.18
174.9315948	0.41
183.9715576	1.77
188.6958923	0.90
192.0488129	0.72
193.1700134	0.19
201.9536438	4.40
202.8718567	0.49
220.9848938	6.01
236.9150696	0.23
238.0575256	100.00
258.4953613	0.29
259.2060852	0.52
270.9620056	0.67
289.0434570	2.23
307.3203735	0.54
313.4436035	1.03
322.8218994	0.64
323.8725586	0.53
324.9810181	0.96
327.3141479	0.19
342.8374023	1.02
343.4852905	0.24
371.0205078	0.71
418.0900879	0.34
448.6971436	0.24
457.1756592	0.24
458.7023926	0.13
474.2172852	1.61
475.2770386	0.21
490.4715576	0.16
561.0130005	0.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2831
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
114.9536819	1.11
118.9224396	2.83
121.0112305	1.82
123.0198669	1.40
124.9617233	1.68
127.0008469	1.08
135.0800934	2.14
136.9848633	5.72
139.1306152	1.68
141.2285156	3.41
142.0603638	1.96
144.9151917	11.62
149.0218811	100.00
149.9486694	29.41
152.9682617	0.91
155.1244202	3.83
156.9198761	4.18
159.1584167	0.91
161.1361847	1.38
165.0585022	1.16
167.0268097	24.45
167.9950256	4.50
168.9914856	1.54
170.2170105	0.94
173.2787781	1.40
175.2823639	1.16
176.9145508	1.45
179.2579956	1.12
180.0133667	1.24
180.8474121	0.52
186.8033142	3.66
189.1382446	1.56
191.079834	6.10
193.229187	3.32
195.0698853	0.99
199.3913422	2.02
201.0661926	1.80
203.0561676	2.34
205.1699829	4.27
207.0525208	1.36
214.3170624	2.88
215.1988068	1.32
216.7901001	8.75
221.3034973	1.10
223.2467041	1.94
232.690155	6.75
233.3475952	0.67
235.3991394	1.90
237.1820374	3.27
238.0563049	0.75
239.1885986	1.40
241.0053711	1.20
245.0241089	2.36
246.9771118	1.45
249.1714478	1.11
251.1428223	8.33
257.0556946	2.43
259.3943176	1.24
260.1325378	0.82
261.0726013	13.11
261.8350525	2.21
263.0453796	2.15
264.9806824	1.82
267.4247742	2.30
270.6496887	3.91
271.3378296	1.61
272.053772	2.10
273.4243469	1.33
276.2978821	2.17
278.2962341	4.09
279.1879578	24.50
280.0118408	19.27
283.6019897	5.85
284.2420959	2.36
285.4674072	0.91
288.5102844	2.18
289.3181763	0.75
293.1674194	3.58
294.4397583	1.57
295.317627	3.50
297.0097351	4.42
301.9978638	4.47
303.5716248	1.49
305.166748	5.15
306.0186462	0.91
307.1257324	1.24
310.2038879	1.98
315.4892273	2.48
318.2010498	2.01
320.4433594	0.86
325.4276123	1.95
328.1266174	2.50
329.0491943	3.00
340.9838562	9.54
342.1672363	13.53
343.1990967	7.92
346.9125671	6.65
348.3642578	1.82
356.2314758	4.62
357.0729065	7.86
359.3553772	1.36
361.0760498	5.56
363.606842	0.75
373.1549988	1.07
374.1836548	15.29
375.2408142	25.99
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	712.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
247.2830811	0.09
259.0941162	0.39
271.2722473	0.23
280.0346985	0.40
289.0775146	3.85
290.2478638	0.55
295.3126526	0.32
306.9228821	1.05
324.8529053	1.38
326.0781250	0.08
337.1354370	0.59
342.9617615	0.86
355.0490112	0.35
360.9049683	0.40
369.0197754	0.36
370.1361084	22.18
372.7509766	0.15
390.7043457	0.26
396.9503784	1.05
450.8359985	0.55
456.9791260	0.20
459.8569946	1.19
468.6624756	0.20
469.4411621	0.10
486.9949341	1.22
517.0051270	1.36
519.9661255	0.11
536.2517090	0.31
541.1904907	100.00
542.3879395	0.90
544.9001465	0.19
550.4861450	0.20
558.8864136	0.75
577.1509399	4.27
580.2236328	0.61
592.0707397	0.54
603.9214478	0.10
640.1785278	0.11
671.7434692	0.14
678.9094849	0.17
694.3577881	0.23
739.1233521	24.77
740.2531738	0.99
1081.0336910	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.109
Annotation	Galactinol
Peak:m/z	Relative Intensity
100.9822464	7.21
106.4180069	0.22
107.1351471	0.27
113.0553741	18.82
115.006691	0.43
118.948143	14.16
124.9841766	3.81
131.0391388	5.43
143.0574341	22.74
148.0339355	0.29
149.1160889	3.07
160.9882202	19.57
179.0495605	100.00
179.8291168	0.25
183.276062	0.21
183.9706116	0.21
191.0909119	0.25
201.1407776	0.30
208.8950806	0.41
220.9511108	0.95
245.1611633	0.23
256.1600647	0.28
276.572113	0.25
280.9962463	3.51
323.3024902	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	313.1
Annotation	Norbergenin
Peak:m/z	Relative Intensity
96.7947464	0.06
101.0206528	0.17
102.8228149	0.21
107.0120392	0.33
111.0320969	0.08
113.1035767	0.24
115.0110474	0.07
118.8644409	0.13
119.9505615	0.05
121.0328827	0.72
129.0499878	7.82
133.1100922	0.07
142.8536682	0.21
146.9776917	15.20
151.1565552	1.58
154.3317261	0.05
155.0739746	0.59
158.9931641	0.08
161.1011963	1.33
173.0358582	4.33
175.1801453	0.09
187.2274628	0.16
188.0018311	0.04
189.2238464	0.05
190.9998474	100.00
193.7944641	0.03
195.1021729	0.08
198.1040955	0.03
199.2511444	0.05
202.0148010	0.09
206.0522461	0.04
207.1593018	0.05
213.2389526	0.11
215.0715332	0.27
222.3589783	0.05
224.0032349	0.04
225.0037537	0.04
233.2361450	0.03
234.3220520	0.07
235.1681213	0.06
248.2540283	1.39
249.3910217	0.20
250.2636414	7.60
251.2333069	1.35
253.1259460	0.15
258.2435913	0.66
259.2963257	0.14
265.3198853	0.12
267.0870667	0.26
268.2468872	4.89
269.3424072	1.39
270.8230286	0.09
271.4538574	0.04
276.3201294	1.44
277.2992554	36.56
278.2660522	0.14
282.4163208	0.07
285.1745605	0.10
294.4091797	4.61
295.1270752	15.84
296.5017700	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	614.9
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1784058	0.06
228.7997894	0.03
270.2735596	0.03
273.1206665	7.51
275.9645386	0.02
384.9026489	0.06
387.1046753	17.48
388.1890259	0.03
403.1683350	0.02
428.2613525	0.06
468.1358643	0.08
481.1125488	0.08
485.2487793	0.02
497.9098511	0.05
499.3086548	1.17
500.9254761	100.00
501.6177979	0.34
508.0782471	0.07
513.0547485	0.09
527.2261353	0.04
539.8338013	0.12
540.9880371	0.16
543.1381226	0.02
559.2216187	0.03
559.9585571	0.04
568.2225952	0.47
569.0829468	0.33
570.3642578	0.21
571.0577393	0.13
574.0095825	0.06
582.1686401	0.21
584.3728638	0.06
585.7493286	0.04
596.1321411	0.09
596.8925171	0.09
614.1974487	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	544.73
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9349365	0.77
208.3439636	0.04
209.0050812	0.55
290.8248901	5.90
292.7650146	9.25
293.4615479	0.11
296.6171875	0.02
337.0692139	0.02
374.6640625	2.14
376.0062866	0.65
376.7254028	5.43
377.3421631	0.04
380.7697754	0.10
382.1178589	0.04
382.8916626	0.17
409.0010376	0.09
415.2549438	0.11
422.8985596	0.16
423.5186157	0.05
424.3804321	0.04
425.0008545	0.12
429.2813721	0.03
436.7044678	0.07
438.7304688	0.77
454.8736572	0.30
458.6552124	21.30
460.1169434	32.75
460.7468872	100.00
461.3595581	0.69
468.9995728	0.09
479.8715210	0.03
480.8463745	0.28
482.7913208	0.22
484.1725464	0.54
484.9385376	0.89
497.8397827	0.31
498.7927856	0.90
527.5134888	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.1645
Annotation	Ugonin P
Peak:m/z	Relative Intensity
125.1697388	0.02
128.0294952	0.04
130.0488586	0.02
146.0591431	0.15
146.9452362	0.27
161.1002350	0.02
169.1523438	0.05
180.9944763	0.02
189.0791779	0.08
217.2498322	0.49
220.2080688	0.01
223.2325439	0.02
230.8939514	0.02
233.0511017	0.01
241.2444763	0.02
243.1055298	0.02
248.1958923	0.02
254.3348999	0.01
257.2980042	0.10
259.1825562	0.44
277.1597900	100.00
303.1823120	0.02
313.2234497	0.06
319.2595215	2.44
321.1884155	0.02
327.3332214	0.04
330.9941406	0.05
353.4010010	0.02
359.1845398	0.21
360.8688354	0.02
363.2442627	0.02
372.9784851	0.01
374.5602722	0.04
375.1836853	0.01
377.3835754	0.09
384.4370422	0.01
403.5202332	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1089
Annotation	Lactulose
Peak:m/z	Relative Intensity
101.0239868	5.16
112.9223022	19.26
115.0130692	0.44
119.0083313	15.99
124.9649353	2.58
130.9309998	8.14
141.4661255	0.19
143.0454407	19.59
149.0780640	4.44
160.9568481	21.02
178.9753876	100.00
209.3025818	0.18
221.0520325	0.15
281.0404968	3.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.0874
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
96.9721527	0.05
101.0101852	0.14
110.9046021	0.85
112.9531250	0.29
118.8939819	0.06
124.2391663	0.02
125.0022736	0.02
129.0740356	3.21
130.9566956	0.05
143.2107544	0.25
149.1289368	0.03
161.1512451	0.44
173.0946655	0.08
177.1339111	0.04
179.0063171	1.32
186.9033966	1.54
196.9067230	0.03
205.0187683	14.43
211.0738525	0.05
223.0475464	100.00
225.0788879	0.03
235.0688171	0.79
243.1089478	0.04
268.6436462	0.04
281.0129395	0.05
284.9630127	0.03
294.2155151	0.08
295.0796509	0.09
296.7259827	0.03
297.4551392	0.04
302.3132629	0.02
304.1505127	0.05
305.1881714	0.07
311.0778503	0.04
313.3875122	0.02
323.1184998	0.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	517.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
158.0849915	1.43
173.0748901	3.92
175.0583801	100.00
341.4812012	0.71
342.3345947	0.58
343.2393799	0.82
380.4279785	0.25
473.9946899	1.07
481.3923950	0.58
499.3627930	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	638.6
Annotation	Unknow
Peak:m/z	Relative Intensity
208.8582153	0.19
212.8178711	0.14
223.1785126	0.03
227.0870819	0.06
232.0932007	0.11
290.9028931	0.44
292.8880615	0.15
294.9213867	0.05
296.9017029	0.04
300.9423218	0.03
311.0427856	0.04
381.3029175	0.01
382.9473267	0.10
384.0686035	0.04
385.0194092	0.04
386.9866333	0.16
418.3632812	0.06
424.9182129	0.04
448.1678467	0.02
464.2253418	0.01
466.9102173	0.09
467.8099976	0.06
468.4999390	0.11
469.1265869	0.03
470.8001709	5.51
475.0750732	0.04
482.1358643	0.05
501.7470093	0.01
526.4378662	0.02
531.9924927	0.22
538.8019409	0.05
540.2224121	0.11
540.9701538	0.04
544.2742310	0.01
548.9183350	0.04
550.1095581	0.01
550.7964478	0.03
552.4545288	1.19
554.6481323	100.00
555.3555298	0.12
556.8482056	0.02
560.8591309	0.55
562.0636597	0.02
564.8688354	0.06
570.4747314	0.03
571.8189087	0.07
573.0338135	0.01
584.9250488	0.03
591.8408813	0.08
594.7942505	0.60
595.8204956	4.79
596.8230591	2.60
599.4110718	0.03
601.5510864	0.10
603.1512451	0.04
604.5739136	0.06
607.6295776	0.02
614.8710327	0.45
615.5359497	0.24
616.1602173	0.05
618.1618042	0.02
619.9155273	0.15
622.9016724	0.02
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
91.2118988	0.10
94.85651398	1.37
96.98438263	1.85
99.02346802	0.94
103.0986023	0.31
105.2128754	0.16
107.0391541	0.95
109.0279694	5.04
111.0003433	1.09
112.9003448	1.09
114.1224136	0.08
114.9487076	0.44
117.0336456	0.20
118.9496536	0.23
121.0528107	1.36
123.0644379	2.59
124.879715	0.54
127.1366882	0.60
128.8990631	0.59
133.035675	0.59
135	1.73
136.9144592	1.94
138.9943848	2.96
141.1414185	1.03
143.2929993	0.11
145.0328674	0.25
147.173233	0.70
148.1440582	0.15
149.1790009	0.46
151.0683441	1.26
153.0884094	2.31
154.5200348	0.48
155.1660919	1.00
159.1664429	0.56
161.1706848	0.45
163.1432648	0.81
165.2341766	0.90
166.780838	0.09
169.0733032	2.44
170.9954681	1.82
173.1326752	1.00
175.2191467	1.46
177.2645416	0.61
179.0659637	0.64
181.0755615	1.01
183.0563049	3.80
185.1797791	1.95
187.1167755	0.10
189.2642212	2.71
191.3314056	0.34
192.080246	0.23
193.0664978	0.93
194.1341553	0.48
195.1246643	0.80
197.1183472	5.38
198.6959839	0.32
199.3242493	1.55
200.9802551	0.36
203.2857971	2.69
205.227478	0.11
206.2156067	0.18
207.1229248	1.22
209.3276367	0.58
211.2315063	5.02
213.2262573	0.71
214.920166	0.96
217.0547791	0.12
219.2852478	0.83
221.2611694	8.58
222.2426453	0.07
223.2634888	0.94
225.2129822	4.28
227.3432007	1.78
229.147644	0.99
229.9090576	0.13
233.1990051	2.78
233.8158264	0.44
235.2817688	0.19
235.9642639	0.30
237.2463684	8.31
239.1017456	15.84
239.7626953	0.12
241.1741943	1.03
243.2085266	2.98
247.3105469	0.09
249.3045044	0.09
251.1832886	3.17
252.6812744	0.24
253.3718262	1.98
254.1308594	0.08
255.3705444	2.35
256.5935059	1.07
257.2270203	3.34
261.2428589	4.46
261.9884033	0.07
267.4954834	0.16
269.2326355	0.65
273.9516602	0.26
277.4378967	0.09
279.2324524	100.00
280.1356812	0.94
281.23349	0.11
288.0436096	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	420.1852
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
114.9467773	0.54
125.9307404	0.27
126.9990387	1.25
128.1414185	0.05
129.0389404	1.01
131.0561676	0.37
132.4302979	0.56
133.1297455	1.02
137.0637360	0.09
140.9092255	0.05
142.1215668	0.07
143.1405792	0.89
144.9090576	3.06
147.0408936	0.18
149.1612396	0.28
150.1140900	0.72
152.8811951	0.19
157.0527649	0.81
159.0760803	0.58
160.3003540	0.09
160.9331360	2.48
162.4532471	0.33
163.0537262	2.43
169.1256256	0.53
171.1235046	1.28
172.0220184	0.06
175.1157837	1.70
177.3012848	0.28
180.0154419	0.15
181.1984863	0.31
187.1539154	3.04
189.0905762	0.13
192.1248932	0.05
193.0642090	0.22
195.0375977	0.09
198.4203949	0.21
199.0279694	0.98
205.1258240	7.23
211.0377808	0.31
213.0347900	0.04
217.1064758	4.98
219.4097137	0.12
220.5711365	0.15
222.8671570	2.08
226.0895081	0.08
228.9917908	0.05
231.2797241	0.09
233.9055786	0.16
235.1163025	4.71
237.7002869	0.07
238.8133545	0.46
240.0840454	2.30
240.9679565	9.13
242.8054504	0.10
243.9714050	0.07
246.6053162	0.12
250.6246948	0.04
252.3270264	2.34
253.0209961	16.25
255.0067444	0.04
256.1408386	0.08
257.2153320	1.02
258.2893372	2.91
259.0430298	15.45
262.2318420	0.04
265.2089844	0.21
267.6727295	0.06
268.6871033	0.14
270.4432983	9.72
271.0916443	28.46
273.3302612	0.07
275.3748474	0.14
276.9199524	0.81
280.4126282	0.05
282.5304565	0.03
288.1812744	9.54
290.2237854	0.10
295.1141968	100.00
299.3306885	0.17
302.0415039	0.04
312.0649109	1.06
313.2961121	0.03
318.2870178	0.29
323.1800537	0.15
329.4820251	0.10
330.2732239	0.11
331.0732727	0.14
334.0497742	0.05
339.3331909	0.16
348.9135742	0.52
354.9309692	0.12
355.9312744	0.17
357.0525818	0.04
360.4208374	0.06
361.3813782	0.09
366.0837097	0.61
366.8882751	0.28
369.3743286	0.04
375.2272949	0.08
384.9820862	2.66
389.2635803	0.15
401.2808533	0.28
402.2901611	2.36
403.0170288	11.68
404.9826965	0.21
411.5290222	0.27
414.3704529	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	416.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
119.9312744	1.63
132.9578094	4.99
146.1478119	0.09
146.9701233	0.04
150.2453461	0.04
150.8659668	0.07
157.8692932	0.21
159.0816498	0.14
160.9845276	0.39
163.9871521	0.29
176.0638885	37.81
192.1135254	0.30
195.1203918	0.31
197.1966705	0.11
199.4616089	0.06
201.9875183	0.45
203.0000153	0.22
204.1440735	0.10
208.2924347	0.08
209.2515869	0.03
209.9936218	0.10
210.9695435	0.06
217.1039886	0.25
220.1378784	2.71
221.4811707	0.06
223.0580139	0.13
226.8845978	0.24
231.9030151	0.08
234.1764221	0.15
235.2075500	0.20
236.0503845	0.36
246.9668579	0.04
250.1575317	0.49
251.2838135	0.18
253.5318604	0.31
254.1565857	9.36
258.4637146	0.04
260.3067627	0.11
261.9530945	0.06
269.1260681	1.08
270.1415405	0.16
272.3339539	0.24
276.2337036	0.21
278.6175537	0.06
290.5509644	0.22
291.9027100	0.15
295.0281982	0.70
296.3831177	0.07
297.1948547	0.12
298.3407898	0.09
308.3507996	0.34
313.1668701	0.39
322.1387024	0.18
326.2384033	2.58
328.1588440	0.06
335.2745361	0.08
338.1848145	1.12
338.8397522	0.17
344.3655396	0.34
347.0567932	0.09
354.2921143	0.49
355.3690796	0.46
357.5413513	0.06
362.2533264	0.47
364.2409058	1.24
367.3700256	0.03
369.2171326	0.18
370.2684021	0.19
371.3014526	0.60
372.4048157	0.30
373.1994324	0.51
374.4244690	0.05
377.4498596	0.03
379.2779846	0.07
380.4918213	0.80
382.2123718	100.00
383.3355713	0.08
385.2881470	0.08
386.1811829	0.06
388.3248596	0.06
396.4937744	0.14
397.2890930	0.21
398.3501587	1.49
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	437.9716
Annotation	Unknow
Peak:m/z	Relative Intensity
142.6031494	0.02
147.1235504	0.05
147.9908447	0.05
179.0593109	0.03
181.1163635	0.08
191.2220459	0.02
202.0618744	0.08
221.0563965	0.01
233.2072906	0.02
235.4276123	0.02
239.3771973	0.04
241.9959106	0.03
244.0300903	0.03
245.1819458	0.19
260.0558472	0.08
264.0975952	0.01
269.5372009	0.01
275.1276550	0.02
285.9655457	0.03
291.2265625	0.02
292.1469116	0.05
303.1946411	0.08
304.3086243	0.15
307.1594238	0.03
308.1295776	0.10
309.1967773	0.15
310.1550598	0.40
330.1282959	0.14
331.0524597	0.17
332.2373657	0.38
333.4178467	0.02
344.2450867	0.04
348.1253052	0.84
357.1199951	0.05
357.9742432	0.06
362.0957031	0.04
363.4306030	0.09
371.2186584	0.03
375.2688599	0.23
376.1013794	0.16
392.0982666	0.07
394.0643005	100.00
402.2601318	0.16
419.1405029	2.29
420.0568237	1.26
421.4319458	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	631.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
194.0602264	0.05
195.1619110	0.10
251.0109558	0.07
266.2695312	0.10
288.3031311	0.08
295.2131348	0.07
315.1469727	100.00
316.3194580	0.13
331.3487549	0.05
341.0941162	0.22
368.8730469	0.18
388.2587891	0.08
403.2263794	0.07
427.2197266	0.36
429.4634399	0.07
432.3446045	0.25
451.2135620	0.10
458.0712280	0.15
464.4166870	0.23
465.3363647	0.19
466.3115845	0.17
523.2486572	0.09
536.9471436	0.09
555.2299194	0.09
581.5480347	0.09
586.2306519	0.12
587.5247192	0.14
593.0850830	0.05
594.5780640	0.11
612.1394653	0.03
613.2468872	0.34
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
133.0207367	0.90
146.0470123	0.33
148.8192139	0.58
149.9978638	0.52
165.1510162	0.79
178.251709	0.27
181.0869293	0.59
193.9074249	1.69
196.294281	1.68
206.1700897	1.55
207.0232086	3.86
208.1248322	13.54
209.1960449	1.92
222.0827179	10.41
223.2668915	13.56
232.9717255	0.33
236.1693726	0.56
251.0840302	100.00
252.1306305	12.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	559.3121
Annotation	Daechuine S7
Peak:m/z	Relative Intensity
179.0616150	0.03
233.3027039	0.38
235.1788177	1.61
253.2013397	12.63
275.3008423	0.02
277.3387146	100.00
286.2658691	0.06
362.0319824	0.04
373.2211914	0.05
421.2767334	0.04
481.3723145	0.02
499.6339722	0.03
504.5655518	0.05
513.1483154	97.74
513.9224854	0.07
515.3490601	0.07
541.6382446	0.05
559.8882446	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	381.1763
Annotation	1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
112.8310776	0.41
124.8684998	0.16
129.2152405	0.12
130.8992767	0.28
137.1754913	0.07
143.1106873	0.26
155.1557617	0.09
158.8651886	0.61
161.0519104	4.52
180.2173004	0.07
189.0995483	0.06
191.0700073	0.07
199.1434479	0.03
203.1645050	0.05
212.9900208	0.07
215.1553650	0.10
218.9529419	0.04
221.2857056	0.09
222.2162170	0.06
237.1146240	0.04
249.1930237	100.00
251.0502014	0.05
257.2069092	0.04
261.2310791	0.03
266.5196533	0.04
274.9318542	0.10
276.3612366	0.21
277.4272766	0.04
285.2476501	0.15
287.3199463	0.10
291.1879883	1.22
293.4406128	0.49
294.2982788	0.61
295.2564697	0.08
296.0462952	0.18
297.1808472	0.09
301.5029907	0.11
308.8870544	0.04
321.1072693	0.22
323.4323425	0.40
332.3422241	0.05
334.1257935	0.17
335.2532959	1.83
336.3759155	0.13
337.0823059	1.22
338.1383362	0.04
341.1470337	0.22
343.4948120	0.04
345.3043823	2.29
348.1101685	0.17
351.0719299	0.07
361.0487976	0.38
363.0221558	1.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	643.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
175.1553802	0.05
199.3085175	0.09
217.1111450	1.28
259.3343506	0.05
303.1221924	12.11
321.0806274	7.73
339.3013306	0.23
381.2213135	0.29
419.2978516	0.34
423.3746338	0.09
437.1820068	2.71
461.1812134	0.05
467.3651733	0.20
479.2041626	24.93
479.8668213	0.04
485.2638550	0.43
495.5689697	0.42
497.2565308	10.53
523.1262207	0.03
539.2767334	36.56
553.4356079	0.03
579.3428345	0.07
580.9863281	0.55
581.5962524	0.02
607.4694214	0.04
625.2586060	100.00
625.9883423	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
178.5327454	0.04
179.2023163	0.05
218.9093933	0.02
245.2018433	0.01
280.9283447	0.01
297.2325745	0.01
341.1614685	100.00
342.0181885	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	762.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
227.0675659	0.06
232.9070740	0.11
238.1560669	0.19
241.2588806	0.18
256.1689453	0.06
271.1087036	0.26
273.4974365	0.07
275.5100098	0.17
279.0681763	0.07
289.0484009	1.03
293.4307251	0.51
294.4791565	0.20
308.2144165	5.46
309.3441162	0.83
324.2457581	0.18
351.3514099	0.22
352.1244507	0.29
368.2078247	0.93
369.2764893	0.18
375.3018188	0.27
433.8772583	0.30
437.3329468	0.07
438.0578003	0.35
453.4090576	3.31
454.3686523	0.17
470.2147217	0.29
471.1699219	3.08
472.3046265	0.39
525.5319824	0.05
575.2907715	0.08
579.6964722	0.15
581.1369019	0.16
582.6909790	0.22
583.5523682	0.07
597.3308716	0.28
598.9838867	0.08
600.3356934	100.00
601.4461670	29.96
615.5598755	0.36
616.4903564	0.23
627.5895996	0.49
632.9156494	0.17
633.8549194	0.06
636.8032227	0.20
642.4683228	0.38
686.6630249	0.16
688.5449829	0.14
690.3648071	0.07
691.9915161	0.29
696.7156982	0.16
708.4517212	0.12
713.0453491	0.56
717.2861328	0.06
726.2474365	0.36
727.0924683	0.50
744.4851685	1.81
745.4409790	1.43
747.4021606	0.44
762.8875122	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	504.2424
Annotation	Norplicacetin
Peak:m/z	Relative Intensity
141.9712067	0.02
145.3459320	0.02
148.2525330	0.02
152.0271149	0.02
155.1741943	0.02
158.8192596	0.02
163.2836456	0.05
172.0881348	0.03
176.2697601	0.05
178.1692657	0.09
185.0204926	0.02
187.0579834	0.03
192.3003235	0.05
198.0854797	0.03
200.0711975	0.05
206.9856415	0.03
212.1731567	0.04
217.4939423	0.08
218.3195496	0.05
220.1730957	1.86
221.2689819	0.51
222.2995300	0.01
227.3677979	0.03
232.9540100	0.03
236.4574738	0.02
238.2713165	4.02
239.3122559	0.69
256.2646790	100.00
257.2487183	15.03
280.4484863	0.04
290.5679016	0.04
298.0887756	0.07
309.5266724	0.13
310.4367676	0.07
311.3250732	0.08
313.3475952	0.03
314.3946228	0.01
325.0861206	0.06
329.3549805	0.08
340.1337585	0.06
342.3361206	0.09
343.1914673	0.02
365.2846680	0.01
370.4033813	0.06
371.2524109	0.02
374.9367065	0.01
376.4677124	0.03
387.4702454	0.02
392.6037292	0.02
400.3641663	0.33
401.3705139	0.10
407.5527649	0.06
418.3723450	1.13
419.4730530	0.31
424.4622803	0.13
442.4362793	0.48
443.2120361	0.05
443.9024963	0.05
444.5860901	0.05
447.1692810	0.07
460.3794250	41.11
461.4723206	10.63
486.3381958	0.12
487.4725037	0.18
495.7995300	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	374.1437
Annotation	Veranisatin B
Peak:m/z	Relative Intensity
105.0872879	0.07
107.9879227	0.05
108.9656982	1.55
111.0512695	0.25
114.9034729	0.14
116.9606628	0.43
121.1575012	0.11
126.9576492	28.60
129.0508881	0.57
131.1195984	0.08
132.8939209	0.54
135.3275757	0.05
143.1167755	0.35
144.3515930	0.38
144.9925537	1.64
147.1179810	0.17
149.0045776	2.32
152.8048706	0.17
154.9188538	0.10
157.0077209	2.63
159.0157166	0.68
161.0722046	0.05
163.0361023	0.10
166.2113495	0.07
169.0025940	1.00
171.0395813	5.57
173.0114441	0.72
175.1033020	3.82
181.0927429	0.37
186.3393860	0.59
187.1711884	1.05
188.9808960	5.88
189.9485016	0.06
194.8693848	12.40
199.0248718	10.37
200.4769440	0.08
204.4615326	0.10
205.1250000	0.34
207.9485779	0.08
212.2490692	0.50
213.0431671	1.62
216.9964142	19.28
219.0174866	0.30
223.3373108	0.22
229.2258606	0.34
230.8215332	22.37
231.5682983	0.14
234.9242554	10.40
241.3330688	0.09
244.9902954	0.39
246.9826050	1.34
248.2738953	9.86
249.0306396	11.08
250.9830322	0.05
258.3215027	0.06
259.3987732	0.30
266.1046143	8.07
267.1354065	0.64
271.8602905	0.08
273.1019897	0.59
275.0998535	0.21
282.2105713	0.20
285.2407532	0.38
288.2901001	0.05
294.9275513	0.10
300.1297607	0.29
303.1455688	13.45
311.5376892	0.06
314.3187866	0.10
316.2679443	0.06
318.0670471	0.08
318.7563477	0.28
320.4470825	11.66
321.1221313	46.02
328.5043335	0.22
329.2579956	0.08
331.0811768	0.23
338.3654785	16.15
339.0035095	100.00
339.6729126	0.20
345.0434570	0.19
355.3651733	0.14
356.1482544	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	420.1261
Annotation	(R)-Pantothenic acid 4'-O-b-D-glucoside
Peak:m/z	Relative Intensity
127.0735168	0.02
143.2497711	0.08
146.3830109	0.03
148.9607239	0.11
152.0604553	0.02
164.0287628	0.03
168.0744324	0.04
176.1852722	0.05
185.2609558	0.03
186.2171631	0.05
189.0668640	0.04
197.1578064	0.04
216.1710205	0.05
220.2645264	0.41
221.2449341	0.87
222.3012543	0.02
226.3310852	0.02
238.3327026	3.59
239.3643188	5.43
240.3229980	0.36
248.1263428	0.03
256.2495117	5.62
257.2235107	10.73
258.2797546	0.84
262.6100464	0.05
263.3932495	0.15
267.1496887	0.04
275.1799316	0.06
277.3720703	0.02
280.0820007	0.06
281.3930664	0.31
282.3263550	0.03
285.1154175	0.06
287.3395996	0.12
289.3343201	0.11
293.2920532	0.05
297.0053101	0.09
298.3545837	2.22
299.2950745	7.67
300.3695374	0.72
303.1885376	0.30
304.1448669	0.02
305.3617554	0.12
306.1363220	0.01
310.5469360	0.04
311.4147949	0.20
313.1971741	0.02
315.5350342	0.05
320.2373047	0.08
320.9938354	0.03
322.5184631	0.68
323.3949280	1.69
324.4596558	0.40
327.4063110	0.06
328.3641357	0.16
329.3838501	1.23
330.3359375	0.49
335.4110107	0.03
337.3894043	0.02
338.3492432	0.05
341.3764038	0.21
344.9075317	0.03
347.4094543	0.06
348.1130676	0.05
358.3262634	0.12
359.4553528	0.38
360.1844788	0.01
365.3826599	0.79
366.6315002	0.04
371.5041199	0.05
373.6910095	0.07
374.3326721	0.04
375.2542419	0.05
378.1961365	0.03
382.4085999	0.33
383.3852844	11.82
384.4616089	2.47
388.4152527	0.03
392.3294983	0.57
396.4665222	0.06
401.3707581	100.00
402.3802795	15.47
403.5998230	0.10
419.9420166	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
94.89336395	0.62
97.06247711	0.53
98.89691162	0.62
104.9867325	0.20
107.086792	0.41
109.0275421	1.10
117.0335541	0.67
119.02565	0.82
120.9348297	1.00
123.1294098	1.90
124.9869995	0.74
127.099617	1.14
129.0484619	0.76
130.7481995	0.22
133.0874634	2.96
135.1431122	1.03
136.8949585	1.88
138.2015839	0.33
139.1480865	0.16
143.0776062	0.39
145.0811768	0.20
146.0519104	0.20
149.111969	1.76
150.984787	0.32
153.1885986	1.62
155.2323303	1.03
157.1233215	0.20
159.0301056	0.41
162.8961487	1.62
164.9811401	0.45
167.1411133	0.29
168.9300385	2.59
170.7459564	0.21
173.0192261	0.09
175.0935669	0.79
176.1520386	0.50
177.1991882	0.54
179.2458344	0.44
181.0545654	1.64
183.1455078	1.06
184.0650177	0.20
185.0212097	1.45
186.5310516	1.00
189.163147	1.51
191.2424622	1.64
193.2697601	1.00
194.9976807	2.49
197.0906525	2.01
198.1557159	0.36
199.341217	1.05
205.0934143	1.43
207.4664307	0.83
208.1245728	0.17
209.2755432	1.01
211.2038574	1.58
213.2719421	0.17
215.1767883	0.63
217.1068726	1.34
221.3081665	1.16
223.0515747	1.04
225.097168	1.02
227.2035217	0.64
229.3565063	0.16
231.2902832	0.82
233.3375549	1.02
235.3006897	1.17
237.2120056	0.34
237.9889832	0.49
239.0759277	1.48
240.8586426	0.89
247.2908936	0.72
250.2123413	0.70
251.2098999	2.44
253.2987671	3.66
254.2315063	0.31
255.1946106	0.80
257.3178711	1.33
262.3398132	0.19
265.2924805	2.89
266.2230225	0.67
267.5223083	1.47
268.1917725	0.87
269.2262268	1.21
270.1302185	1.98
275.2591248	16.16
276.1031189	0.69
279.1190491	0.90
280.1989746	0.25
282.0899658	0.39
283.3131714	7.22
286.6581116	0.71
291.0281982	0.11
293.21698	100.00
294.2250366	1.98
297.6029358	0.22
302.3529358	2.46
310.4200134	1.67
311.3114624	1.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	272.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
78.9129944	0.29
79.9104385	0.32
80.9093018	0.23
81.9710007	0.33
82.8499756	0.17
83.9922943	0.51
85.9619598	0.93
91.0773392	0.15
93.0699310	0.27
94.0287476	0.11
95.0372314	0.10
95.8652573	0.02
96.9203033	0.40
98.0723877	0.04
99.1065521	0.13
104.8253021	0.13
106.0017700	0.51
106.9303436	0.51
107.9714355	0.38
108.9730377	0.24
109.8493042	0.28
110.9549255	0.33
112.0420074	0.11
112.9838257	0.04
114.2285919	0.05
117.0471344	0.15
118.0115204	0.39
119.2777863	0.24
119.9723663	0.48
120.9180908	0.36
122.4191284	0.10
123.0216675	0.26
124.0371704	1.33
125.0424957	0.41
126.2531281	0.03
127.3105469	0.03
129.0681000	0.01
131.0801392	0.58
132.1271210	0.32
133.0370483	0.37
134.2588348	0.12
135.0437622	0.48
135.9969177	0.22
137.0172424	0.03
137.8381805	0.14
138.8926392	0.09
140.9874725	0.20
142.0027466	0.03
144.9029846	0.52
145.8889618	0.11
147.1311188	0.26
148.1420441	0.11
148.9783020	0.24
150.0469360	0.06
152.0657806	4.09
153.1040344	0.56
154.1627808	0.03
155.0019989	0.38
157.0748291	0.53
158.0672150	0.07
159.1855927	0.66
160.3276672	0.16
161.0499573	0.45
162.0460663	0.15
163.0218048	0.26
164.2024384	0.13
170.0663757	0.16
171.1726837	0.37
172.0555267	0.18
173.1007385	1.75
174.1306763	0.66
175.2243500	0.17
177.1816101	0.12
178.0535431	0.08
179.3190460	0.17
180.2435303	0.31
181.0682526	0.22
183.1564178	1.29
184.1967926	0.29
184.9771271	0.03
186.2643127	0.02
188.2343292	0.14
189.0803986	0.23
190.1421509	1.75
191.1062469	1.17
192.1545563	3.18
192.8156891	0.07
194.1633301	0.13
195.2188263	0.10
196.8069763	0.30
198.2327271	1.03
199.2070770	0.09
200.2871857	1.51
201.1433411	1.92
204.2041168	0.07
206.2021790	1.90
207.1650696	0.13
208.2396393	3.93
210.1268463	2.60
211.3028717	0.17
212.2102203	0.16
213.9848175	0.05
215.3915863	0.02
216.2946625	0.04
218.1586609	26.78
219.1493683	1.78
221.2716980	0.08
224.2421722	4.84
226.2358856	8.87
227.4385529	0.06
228.4293060	0.05
230.2659302	0.17
231.1279297	0.19
234.0803680	0.18
236.1762238	45.87
237.2906647	1.67
240.0889435	0.03
242.1574707	0.13
243.0996094	0.03
244.1342773	1.39
245.2426605	0.02
252.3049316	0.23
254.2106323	100.00
255.2412872	0.36
256.2318115	0.05
263.2257385	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	203.0825
Annotation	Ethotoin
Peak:m/z	Relative Intensity
71.9055939	0.33
73.9582062	1.28
87.0606384	0.15
109.1101837	0.02
113.9444427	0.10
116.0409241	30.75
127.9915314	0.34
129.2194519	0.27
130.0651398	0.74
132.1141663	0.41
142.0863037	14.20
144.1415405	0.03
155.5294037	0.01
157.2683258	0.18
159.0371246	100.00
167.0664368	0.09
173.0627747	2.08
175.0250244	0.19
185.1069336	1.01
186.0114441	9.50
188.1838684	0.02
203.1252136	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	387.154
Annotation	GS-1
Peak:m/z	Relative Intensity
120.9470978	0.07
126.8173676	0.03
133.0709076	0.04
140.9584656	0.06
143.0521545	0.07
149.0733032	0.13
158.8287811	0.04
168.9496460	0.03
172.9571838	0.12
176.9266968	0.08
178.5735168	0.14
196.7889709	0.17
205.0350494	0.06
207.2290802	0.13
213.3016357	0.07
217.0059204	0.06
224.0321045	0.17
225.1907959	2.11
226.9547424	0.09
231.0865479	0.05
240.3837280	0.05
253.2333069	0.88
255.0903931	0.19
257.1089172	0.08
259.0025940	0.04
263.1531067	0.12
265.5162048	0.07
266.1529236	0.04
267.3002625	0.05
282.4589233	0.04
287.3498535	0.05
289.4508667	0.14
297.1258850	0.71
299.2620544	10.35
301.2963257	0.34
303.4619141	0.03
305.0115356	0.14
305.7124329	0.05
307.1312866	0.17
309.2841187	0.14
312.9742126	0.27
313.6173706	0.11
320.3948975	0.06
321.7072449	0.20
323.3899231	0.06
324.2221985	1.12
325.2514648	0.22
326.8862915	0.15
328.2095947	0.11
329.2641296	0.07
331.1251526	0.19
334.3546143	0.12
339.1452942	0.07
341.2232666	100.00
343.1473389	8.54
345.2538147	5.15
349.2431335	0.42
351.3414001	0.77
352.4223938	0.08
355.2109985	0.16
359.2878113	0.09
363.2588806	0.21
366.5337830	0.41
367.2804871	0.12
368.6499329	1.39
369.2568054	6.66
370.1748962	3.16
373.1020203	0.15
377.9622498	1.66
382.8367004	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	468.1819
Annotation	4-Hydroxytamoxifen sulfate
Peak:m/z	Relative Intensity
149.3324280	0.05
177.1884460	0.12
184.1094360	0.12
188.8775330	0.17
217.2039795	0.06
220.2158203	0.10
229.8755341	0.23
245.2320251	0.05
247.0611572	0.26
249.2620239	0.07
279.4660950	0.13
295.4078369	0.05
320.4017334	0.22
321.1278076	0.36
325.2245789	0.07
327.1694641	0.22
336.1297302	0.11
338.2710266	100.00
353.4756775	0.37
360.3840332	0.10
363.9970703	0.12
377.8870239	0.04
383.3642883	0.19
393.1557922	0.37
412.8497620	0.04
414.4549866	0.17
415.3309326	0.08
418.9194031	0.22
422.0228577	0.11
427.5650940	0.19
431.0660400	0.17
448.4876099	0.05
450.2230530	7.65
451.2613831	0.44
458.1260681	0.21
461.8268127	0.05
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
69.0008316	0.01
86.1211929	0.08
105.6462097	0.03
122.7728882	100.00
123.6038971	0.06
147.1607056	0.02
151.0395203	0.06
175.7929077	0.01
176.5973969	0.06
179.1730347	0.02
216.2758789	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	417.067
Annotation	Barettin
Peak:m/z	Relative Intensity
121.1098328	0.03
125.0940399	0.09
143.1715088	0.13
145.0393982	0.05
161.0548096	0.25
163.3100891	0.05
164.9307556	0.12
175.1835480	0.12
177.1412048	0.07
193.0104065	0.04
194.0657959	0.05
211.0272827	0.21
212.9632568	0.08
216.5065460	0.03
220.2674866	0.21
224.0643616	0.13
225.0146484	0.05
233.2982178	0.04
234.3056335	0.21
236.2865601	2.79
237.2139587	0.21
254.3118286	9.10
255.3650208	0.56
258.1475525	0.05
261.2866516	0.08
262.1734619	0.05
268.2587280	0.05
270.3918457	0.09
278.3399048	0.13
279.2912903	0.10
281.0719604	0.07
285.2107544	0.32
287.0557861	0.03
288.3807983	0.06
290.3320923	0.03
293.1863708	0.63
296.5480652	0.20
299.3521118	0.02
312.2528076	0.05
313.2328796	0.32
315.0564880	0.11
318.5254517	0.05
321.2720032	0.04
326.4488525	0.42
327.0977783	0.04
331.1730347	85.13
332.3257141	0.04
333.4675293	0.23
336.5072632	0.05
339.1751709	0.24
341.3234558	0.87
345.3169861	0.05
349.1974487	0.12
356.2967224	0.13
357.2902832	0.14
358.6346130	0.04
359.4386292	0.03
361.7976074	0.23
362.4085999	0.26
370.2455139	0.23
371.3503723	0.37
373.2043152	100.00
379.0989380	0.04
380.5571594	0.03
381.5210876	0.12
382.3130493	0.17
385.8521118	0.48
387.6837463	0.05
389.4779358	0.16
397.1933899	0.14
398.3561096	3.94
399.3273010	2.51
401.8075867	0.10
402.8507690	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	683.1402
Annotation	Lepidimoic acid
Peak:m/z	Relative Intensity
197.2672424	0.26
211.2508545	0.35
220.1419678	0.13
223.0134583	0.26
237.1847839	0.24
279.1815186	0.17
313.2117310	0.22
339.0556030	0.75
340.0175781	1.03
341.1375122	0.98
343.1524048	25.96
359.2924805	0.38
361.2026367	2.09
362.1325684	0.50
379.1098633	100.00
379.7628174	0.17
397.0548096	0.26
398.8283691	0.96
400.2564087	0.42
400.8743286	0.29
403.1306763	0.25
407.3388062	0.17
412.1402588	0.11
417.4003296	0.15
460.2815552	0.92
467.0379028	0.25
474.0074463	0.37
474.9645386	0.49
477.3583374	0.18
491.2920532	0.14
502.0673828	1.33
503.3078613	0.22
507.5166016	0.55
511.4369507	0.59
512.2307129	0.74
519.2597046	4.78
520.2706299	3.29
521.3160400	1.17
525.4832153	0.45
549.3698120	1.40
553.4447632	0.57
562.1105957	0.37
567.3436890	22.42
579.3900757	0.74
591.2952881	0.36
601.1221313	0.40
603.4032593	0.66
607.7098389	0.20
619.3273926	0.23
647.3766479	1.19
665.2707520	25.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	421.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9424744	0.32
130.8394012	0.16
155.0860901	0.05
156.1242828	0.06
165.1521759	0.06
173.0095215	1.50
185.1787415	0.34
191.0060425	100.00
194.1575317	0.10
194.8230896	0.09
213.0656433	0.30
228.1983032	0.15
230.0175171	0.17
232.1301727	0.08
238.0255737	0.16
241.2745361	0.16
245.0238342	0.10
254.2295227	0.10
254.9470825	0.13
256.6593628	0.04
259.2167969	0.04
270.2496948	0.08
272.9075012	0.74
274.8049622	0.05
282.2171326	0.13
287.1278992	0.14
287.9962769	0.28
288.9967651	0.35
290.2117920	0.03
298.7807007	0.21
299.4207458	0.06
305.4063416	0.15
306.1261597	0.14
314.1315918	0.10
315.1941528	0.26
316.0012207	1.50
317.0965576	4.89
323.2726440	0.06
330.1731567	0.06
331.0868835	0.31
332.1376648	0.09
333.2721558	0.23
338.8350220	0.07
340.7918396	0.09
357.9179993	0.53
359.0477905	0.32
376.0997620	1.31
377.2265930	0.20
385.0977478	0.20
390.2425232	0.05
402.2011108	1.45
403.1435852	8.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
99.05627441	0.20
103.9907608	0.10
108.8596039	0.88
110.9570923	0.99
113.2377625	0.17
119.1197815	0.15
120.9719849	0.69
123.0229111	1.40
123.9833603	0.52
124.9679718	0.51
126.862442	0.36
128.1164246	0.40
128.942337	0.13
130.9482574	0.33
132.945343	0.10
134.1669922	0.61
135.0145416	1.12
137.0842133	0.33
137.9649048	0.26
139.0737915	0.97
140.8378906	0.62
143.1520996	0.70
147.0805969	0.16
148.6946106	1.85
150.0440369	0.21
151.2559052	1.15
153.164505	0.72
154.4262848	0.17
155.1574707	1.07
156.9364014	0.86
160.0173035	1.22
161.2939301	0.20
163.0166473	1.65
164.8502808	1.08
166.1052551	0.27
167.0876617	1.52
169.1253967	1.41
171.0903931	0.56
173.2110443	0.30
179.3045044	0.28
180.8466034	3.01
183.0394135	3.70
184.6251678	0.13
185.2988281	0.86
187.5480957	0.49
189.4943542	0.42
191.168396	0.23
193.1009674	0.67
195.1564636	2.21
197.1594849	0.90
198.9187317	0.12
205.4204712	1.73
207.3788147	0.54
209.2423706	0.27
210.398407	0.52
211.178894	1.40
213.3031921	0.25
214.2402344	0.39
215.2164612	1.09
221.0476074	4.99
224.6032104	0.98
225.2719727	1.93
227.2272034	2.08
228.1293945	0.11
229.1654358	0.49
233.0292053	1.18
234.6442566	0.48
235.2585754	0.70
236.1765137	0.85
237.2355957	1.45
239.234375	3.11
240.3299255	0.24
241.301239	0.47
245.0691833	0.74
247.1993713	0.81
249.0831604	0.28
251.2232666	0.81
252.522644	1.98
253.2650452	8.62
254.2039185	0.61
255.1828003	0.74
256.913269	1.14
257.5133057	1.03
258.668457	0.63
264.297699	0.19
265.2531128	2.80
266.4567871	0.70
267.4420776	0.25
269.414978	2.62
275.3273926	17.04
276.1983643	0.84
278.6308594	0.21
280.2800293	0.13
281.3345032	0.28
283.1304016	4.77
284.2025146	0.10
293.2144775	100.00
294.1469727	1.61
299.7063599	0.43
302.4688416	3.60
309.3355713	0.38
321.1411743	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	492.2013
Annotation	Stephalonine C
Peak:m/z	Relative Intensity
142.1207886	0.17
143.0586243	4.25
144.0663605	0.30
145.0783234	0.08
146.1544189	0.80
148.0918121	0.22
151.0640259	0.22
155.2010651	0.31
161.0368500	0.17
162.2069702	0.44
165.2198639	0.07
166.0867920	1.07
167.0472107	1.92
169.8436432	0.18
171.0117645	1.66
172.2740021	0.27
179.0888062	14.72
180.1204834	2.27
181.2440643	0.64
183.3310089	0.28
185.2135925	0.49
192.1861877	0.66
193.0366821	0.29
197.0800781	1.81
198.2484131	0.31
202.8751221	0.12
210.0870514	10.85
211.2082520	0.74
219.1727295	0.80
228.2359924	0.54
236.1657715	0.97
237.0712280	0.33
254.1532898	100.00
255.1175232	14.74
256.2565308	0.29
272.1611328	79.59
273.1564331	10.78
274.1962891	0.25
295.2152405	0.07
304.2716064	0.21
306.4233704	1.21
307.1423645	0.14
333.1348572	0.07
343.3525085	0.24
346.4704590	0.09
363.3193054	16.42
364.3214722	3.68
397.2258301	0.20
399.2723694	0.41
400.2760315	0.14
405.3425598	0.15
406.5221252	0.14
417.3033142	0.48
424.9387512	0.06
429.4347229	0.11
447.2486267	0.19
451.3575745	0.09
454.2918701	0.14
474.2900696	45.89
475.3678284	8.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2834
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
113.059227	0.96
117.0575256	4.69
123.0131836	3.35
125.1766052	3.55
133.9631653	2.13
135.1211548	1.08
136.9706116	5.91
138.9295654	4.59
141.1613617	1.62
143.0660095	3.00
144.8687439	3.59
147.1113281	7.15
149.0247803	100.00
150.0492554	36.75
150.8292847	3.25
152.8295746	3.18
154.1772461	6.71
161.0326233	1.78
165.1781616	8.37
166.9012146	16.27
167.9590149	16.26
168.9946289	4.73
175.1657104	2.07
183.0377655	3.35
190.8987274	0.96
193.4126282	2.34
194.9960022	1.49
197.0538788	4.17
199.1528168	5.98
202.6800842	1.55
207.0994873	5.02
214.3646698	3.94
219.1755371	2.58
232.3334961	2.32
232.9890137	4.88
234.3246765	3.01
255.7872009	1.78
257.0817566	3.87
260.4363098	12.74
261.4070129	2.60
266.3546143	1.43
269.1445312	3.83
271.3727417	1.31
279.4301147	17.62
280.2374573	15.75
284.9720764	3.12
287.2087097	1.20
303.8548279	5.03
305.2628479	0.97
306.4275513	4.78
312.1491394	6.69
317.1260986	3.88
320.7050781	3.66
321.4398804	2.90
323.4829407	4.24
325.3820801	12.85
329.4309692	3.39
331.7527771	10.97
336.1429138	1.95
343.3482666	28.50
346.4850464	2.25
347.4210205	2.44
356.3591614	6.89
357.4158936	2.25
361.3794861	5.85
363.3596802	3.19
364.4728699	4.91
371.7063293	13.17
374.2615662	33.04
375.2423401	9.14
378.0929871	4.94
391.7284241	4.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
90.2478180	0.03
99.1549530	0.25
101.0324783	0.06
116.1067200	0.21
125.1733551	0.06
125.9442902	0.21
128.0428467	8.86
143.0284729	10.69
144.0077820	0.14
144.8440857	0.12
146.0075684	0.57
153.4457703	0.04
160.0876007	10.62
166.0261841	0.19
167.0558167	1.39
169.3759155	0.16
170.1003418	0.14
171.1429291	0.70
176.9813995	10.54
179.0391693	9.98
183.1112671	0.03
185.0097961	0.96
192.0394592	0.06
197.0984497	1.42
201.0918274	0.11
210.1947632	5.41
213.1185303	1.96
219.1729431	0.15
228.2823486	0.70
231.0916443	1.07
233.0551758	0.07
236.1683960	0.28
237.2669678	0.03
242.0829773	2.02
243.8226929	0.03
249.2592468	0.04
254.1044922	92.13
259.2882080	0.04
260.1489258	0.13
270.3240967	0.04
272.2135925	100.00
286.9404297	0.05
288.1186829	64.45
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2834
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
111.0635834	1.15
114.7872314	1.74
116.9479599	2.11
118.9834976	2.02
121.138855	4.59
126.8394318	3.40
136.8903809	2.71
143.0670776	2.74
144.0402374	2.81
147.203598	6.68
148.4154053	11.45
149.0252228	100.00
150.0302429	43.07
150.8022461	1.29
153.8267975	1.67
155.1644897	0.77
163.1106873	1.55
165.4782104	9.36
167.0628357	21.43
167.8827362	4.59
169.0115356	2.62
175.2372437	1.85
181.0969696	0.78
185.1195984	1.22
188.8509827	4.98
196.6305847	3.32
198.7665253	2.04
207.1487274	1.13
209.0958252	2.81
210.5873413	2.89
211.6959381	2.15
226.8088379	1.09
229.0811768	2.33
231.2078552	1.81
233.2736206	1.07
237.3844299	2.52
243.4317627	0.85
250.103302	1.22
250.8859253	4.05
252.2313843	0.87
255.2398987	1.99
257.0406189	1.59
257.7250671	2.50
259.0822449	1.99
260.379425	8.72
261.4623718	10.00
267.2461548	2.14
272.4190979	1.52
275.3368225	3.91
276.3289795	4.32
279.0684509	19.71
280.0074768	23.29
282.2753296	1.41
287.9331055	0.70
290.3974915	0.78
291.389679	2.22
292.2580261	2.26
294.3858643	2.11
295.4868469	0.79
296.8757324	2.07
303.0779724	1.29
304.2247009	0.71
306.4100647	4.05
311.2515564	3.09
313.1445618	1.15
315.1755371	2.69
331.4784851	0.93
332.2279358	0.63
333.0619507	1.79
334.0290833	0.89
336.3530579	4.44
338.9319458	3.73
342.1769714	1.81
343.3575134	8.32
344.2432251	2.72
345.2530823	6.49
346.100708	1.22
352.0530396	2.99
356.370697	1.41
357.328064	6.02
358.4275818	2.55
361.3835144	13.38
365.0727234	2.40
373.6657715	6.49
374.3609924	16.93
375.2969055	9.75
376.1867371	1.15
385.3577881	2.67
398.4218445	2.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	544.73
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9248047	0.35
208.9037323	0.04
215.0251770	0.04
290.8654175	5.07
292.7507935	7.28
355.0492554	0.04
370.9795532	0.19
374.7166748	2.20
376.6583252	5.62
387.4015503	0.09
391.3695679	0.06
392.7810059	0.18
419.9772949	0.08
454.8646851	0.02
456.3814697	0.09
458.6573486	17.79
460.0364990	17.01
460.7344360	100.00
468.7811279	0.07
477.0044556	0.08
498.1319580	0.10
500.5010376	0.06
550.7739868	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	975.7349
Annotation	DAT(18:0/21:0(2Me[S],3OH[S],4Me[S],6Me[S]))
Peak:m/z	Relative Intensity
765.5231323	0.21
962.2368774	0.64
1046.0205080	0.66
1047.5517580	0.24
1189.9819340	0.79
1238.8212890	3.25
1239.6850590	0.57
1290.3884280	0.88
1458.1202390	0.41
1663.7673340	0.80
1705.6488040	0.35
1725.0487060	0.22
1782.6829830	0.54
1794.9123540	0.58
1801.6573490	18.71
1809.4964600	0.39
1812.4202880	0.45
1822.9129640	0.28
1866.1866460	0.16
1875.3809810	3.57
1889.2663570	0.63
1894.6407470	0.15
1896.7498780	2.40
1902.4100340	25.53
1903.0882570	14.06
1907.0275880	3.33
1911.9498290	0.32
1918.3135990	1.00
1920.7282710	0.22
1927.8895260	1.16
1934.4119870	0.92
1939.4180910	3.07
1944.4895020	0.40
1947.7894290	0.25
1958.1165770	0.32
1965.2556150	0.21
1968.4552000	2.96
1969.5139160	100.00
1973.7945560	0.81
1976.8537600	1.62
1979.2351070	0.63
1987.9281010	0.49
1993.6903080	0.80
1996.1500240	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	410.0562
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
126.8394928	0.22
130.8506165	0.21
131.9532318	0.21
132.9980164	0.21
134.0718994	1.19
134.8568115	0.32
136.1227570	0.14
141.0871887	0.09
141.9903259	0.08
144.9169617	0.09
146.5773163	0.05
147.3503571	0.37
148.9861450	0.09
152.2237244	0.36
160.1532593	0.09
161.3445129	0.05
162.1168365	0.10
166.0397186	2.64
168.0406036	100.00
187.1922913	0.30
188.4119873	0.12
193.2725220	0.19
195.0712128	0.10
196.2007141	0.13
202.3308105	0.13
203.2350464	0.20
206.9817963	0.06
213.1328735	0.39
214.1834106	0.08
215.8920898	0.21
222.3046875	0.10
225.1977844	0.19
228.2280884	0.18
233.6240845	0.12
244.4129944	0.21
245.3807068	0.15
246.5555115	0.38
247.4328003	0.19
248.1530762	0.19
258.8812561	0.25
263.0508728	0.15
266.1628418	0.12
273.3268738	0.38
274.2714539	0.15
275.1209106	0.26
276.0806274	0.05
280.1557922	0.04
288.1728516	0.08
289.1524658	0.33
292.5233765	0.28
293.9393311	0.39
303.0415649	0.40
308.5794067	0.40
311.7263794	1.36
318.3720093	0.12
321.4036255	0.18
322.4278564	0.15
327.4241333	0.10
329.4216309	2.25
330.0563965	7.16
331.0368652	0.13
333.2032471	0.17
335.3924255	0.18
338.1738586	0.30
344.5940552	0.12
347.8741455	0.17
353.1921692	0.18
356.2873535	0.17
359.2314148	0.10
362.1879578	0.07
364.2452087	0.22
365.3081970	0.89
366.3125916	0.72
368.5701294	0.15
372.3303528	0.21
373.6917419	0.85
374.5130615	0.73
377.2709961	0.40
378.4367676	0.08
379.0402527	0.07
382.4308777	0.06
386.3915100	0.22
391.3020935	3.27
392.2575073	1.64
393.0121460	0.13
400.9270630	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
163.1077881	0.07
172.1358948	0.07
178.8922729	0.12
184.9715729	0.10
214.9647064	0.08
242.2835388	0.06
245.1197510	0.16
277.2322693	1.22
285.3385010	0.04
299.4826660	0.06
303.3213501	0.14
307.2768555	0.08
331.1619873	0.11
332.3956299	0.04
337.1729736	0.11
356.3591309	0.07
365.2697144	0.03
395.5832520	0.18
410.0240479	0.08
413.6750488	0.04
415.4029541	0.09
418.1372681	0.05
423.8907471	0.04
465.4435425	0.04
467.3956909	0.05
473.3969727	0.10
477.6745605	0.27
478.7476196	0.21
479.9931030	0.28
491.1685791	0.03
502.3877563	100.00
503.1913452	0.74
505.3092651	0.16
507.2401733	0.24
509.0112915	0.10
515.6434937	0.04
516.4226685	0.06
517.5502930	0.05
518.6954346	0.23
520.7153320	0.16
523.4069824	0.03
524.1135864	0.03
525.4506226	0.56
526.1911621	0.27
543.9957886	0.24
544.9939575	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	635.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
179.0976868	0.02
203.0548859	0.01
214.2107391	0.01
221.2829895	0.05
232.9412384	0.14
251.1080322	0.02
263.1785583	0.02
268.3858643	0.02
278.0260925	0.02
280.7543945	0.04
293.2443848	0.09
294.3151550	0.01
305.2881470	0.06
310.6343384	0.01
323.1218262	0.16
341.1207886	0.63
383.3374634	1.69
413.1746216	0.33
414.1456909	0.03
424.7830811	0.01
432.7808838	0.03
434.1017456	0.02
443.0715332	3.16
463.3987427	0.08
464.3772583	0.02
465.2056885	0.01
467.1531372	0.02
473.2160645	0.01
485.3571777	0.18
503.3051758	100.00
503.9335327	0.29
561.2799072	0.02
587.7799683	0.01
589.3460693	0.04
605.3034668	0.06
615.1874390	0.05
617.2255249	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	580.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
166.0859528	0.02
197.1767883	0.02
202.1672821	0.10
220.1270905	0.20
238.2362213	1.06
243.2414246	0.02
249.1911621	0.03
255.1416168	0.10
256.2569275	6.92
262.3325806	0.02
263.2131348	0.02
265.3013916	0.01
267.2303467	0.04
280.0716553	0.02
287.3027344	0.01
287.9970703	0.03
294.4523926	0.04
298.3800354	0.20
305.2395630	0.02
307.0125122	0.01
313.1745605	0.09
314.1156006	0.03
322.7672119	0.06
324.8473511	0.02
326.5097656	0.03
327.3093262	0.01
328.4385376	0.04
331.8501587	0.03
334.2100830	0.07
341.1348877	0.02
343.2765503	0.02
346.4205322	0.07
349.3643799	0.04
352.3076782	0.80
359.5414429	0.03
364.3760376	0.12
371.6354370	0.03
374.3519897	0.08
376.4519653	0.03
377.2252808	0.20
382.4185791	0.53
394.6365356	0.01
397.3410645	0.02
398.4536743	0.06
400.4663086	24.84
401.5206299	0.02
418.3698730	100.00
419.0082397	0.22
419.9161987	0.06
421.1812134	0.02
424.5595703	0.06
428.1951294	0.02
433.0992432	0.03
438.0668945	0.03
441.4791260	0.04
442.3566284	0.02
446.5979004	0.11
447.9230957	0.08
458.2891235	0.11
460.3978882	0.04
461.4155273	0.01
467.9464722	0.03
474.0928955	0.05
476.2144775	0.11
478.1404419	0.05
479.3574219	0.02
484.3941040	0.02
485.5975952	0.02
490.4182739	0.11
492.6516724	0.02
502.6082153	0.02
505.2722778	0.02
514.4680176	0.09
526.4169312	0.03
533.9909668	0.03
535.5952759	0.04
536.3705444	0.06
544.0560913	0.14
560.3466187	0.06
561.8206177	0.61
562.4708252	3.94
563.5223999	0.13
570.5809937	0.04
579.0855713	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	450.2623
Annotation	PE(16:1(9Z)/0:0)
Peak:m/z	Relative Intensity
140.0285797	0.16
152.9504089	0.13
180.1826172	0.02
196.0637207	2.21
197.0585022	0.17
201.9750824	0.03
202.9354248	0.03
214.0734100	1.84
215.2351379	0.04
227.1925049	0.02
253.2753906	100.00
254.2889404	25.95
305.1852112	0.03
308.9779663	0.03
321.2255249	0.06
338.8113098	0.02
343.3168335	0.05
365.0910339	0.02
388.3189392	0.02
389.3069153	0.32
390.6311340	0.12
395.2671814	0.07
397.5690918	0.02
401.5226746	0.02
405.5495911	0.11
407.7382507	0.21
413.3912659	0.03
415.0797424	0.31
415.8470154	0.05
433.2199402	0.08
434.4084167	0.02
445.4339905	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	230.1032
Annotation	Suberylglycine
Peak:m/z	Relative Intensity
70.8636780	0.73
72.1110535	0.19
88.0130615	9.69
96.7657471	0.63
113.9496918	38.76
114.9938660	100.00
132.0346985	4.66
142.0683441	0.32
168.1170654	8.07
170.1781769	0.08
186.1361389	85.29
203.0252228	0.07
212.0912628	57.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	376.81
Annotation	Unknow
Peak:m/z	Relative Intensity
147.2030640	0.24
196.8662872	0.10
205.0638733	0.70
209.0529938	7.14
212.8010864	0.25
214.8894043	0.32
232.9595642	0.83
256.6752319	1.60
268.0227661	0.41
268.9567871	0.30
271.2285461	0.40
279.0871887	0.10
284.9288025	0.27
286.9206543	0.62
290.9583740	0.54
292.9301758	100.00
316.1713867	0.53
317.0919800	0.81
331.1834106	0.76
333.2604065	0.12
341.0064392	0.16
358.1411438	0.46
359.0032043	0.78
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.02
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
84.9889221	0.11
86.9926605	1.36
100.9180756	0.08
110.8919220	100.00
129.0362701	2.34
130.9231415	1.21
145.1060638	0.03
147.0030365	0.08
155.0367584	0.32
157.1377106	0.04
172.9207611	23.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	348.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
127.9469376	9.69
136.9425659	0.12
140.8629456	0.07
155.1150513	0.04
156.6311951	0.04
173.1460114	0.38
175.1892700	0.12
175.8920593	0.05
185.1727295	0.03
186.3218689	0.06
201.1010132	0.30
203.2728119	0.09
217.1642456	0.06
219.1134644	100.00
232.1378174	0.12
251.0538940	0.10
252.1138916	0.06
257.2845154	0.15
259.4084167	0.05
263.3320007	0.04
269.9446411	0.09
282.8495789	0.10
285.3585815	0.19
287.1609802	0.25
289.1711121	0.16
289.8831177	0.04
293.2360229	0.14
296.1409607	0.08
302.1324768	0.46
303.0930176	0.07
304.2270508	0.73
306.4302673	0.09
309.9220581	0.10
312.0032043	0.46
314.3240967	0.04
315.3010864	0.18
317.3849487	0.11
318.6029663	0.26
320.4703979	0.11
328.7039795	0.26
329.3857422	0.51
330.3968201	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
92.94606018	0.10
94.87011719	0.98
96.75866699	0.66
98.13421631	0.24
99.11205292	0.17
102.2269821	0.14
107.2328568	0.53
108.9604187	1.35
111.1691742	0.26
115.1505737	0.58
117.1622772	0.44
121.0792847	1.42
122.8722	1.34
125.0645218	2.07
127.1421661	0.38
128.2441406	0.20
129.0205383	0.28
130.8904724	0.45
133.2398987	0.51
135.0516052	1.25
139.0937805	1.79
141.1706238	0.74
143.0385742	1.31
146.0914307	1.17
147.4538879	0.51
149.0955505	1.22
150.2851105	0.40
151.1642151	0.76
152.9235535	1.26
155.0183411	2.02
157.0669861	2.56
161.2288666	1.07
163.1057129	1.54
165.1554108	0.56
167.1457672	1.13
168.9073486	1.42
173.1060181	0.19
176.8705444	2.77
179.0825806	0.36
181.1237335	1.80
183.1423645	2.04
185.0556946	0.79
186.7186584	0.38
189.3497314	0.29
193.1401367	0.90
195.1517639	3.22
197.1544342	6.57
198.1624146	0.43
199.1240082	0.20
200.3049774	0.14
203.1347046	0.21
205.0954895	0.20
207.2060547	0.56
209.304657	1.97
211.2250671	3.69
213.1438599	1.99
215.2565308	0.61
218.0357056	0.32
220.6804504	1.20
221.4584656	0.12
224.094696	0.58
225.1409607	0.69
226.3049622	0.71
227.2470093	0.74
229.1959839	2.59
229.9888	1.63
233.3200073	1.16
235.2468872	2.29
237.1626892	3.13
239.1687622	3.23
241.0938721	1.62
242.9257202	0.92
247.1017456	0.97
248.7319031	2.46
249.4276123	0.90
251.1563721	3.13
253.2307129	6.80
257.1580811	0.54
263.2076416	0.70
265.1184387	2.53
266.2948608	0.93
267.1825562	2.06
268.2986145	0.94
269.1212158	0.65
269.9321899	0.63
272.4872131	0.91
274.2507629	2.32
275.2890015	16.74
278.9998169	0.14
282.1209106	1.16
283.2475586	5.82
284.01474	0.44
290.1362305	0.99
291.6053162	0.34
293.2049255	100.00
294.1110535	0.51
297.1974792	1.18
302.2510071	2.07
302.947998	1.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	409.1856
Annotation	Vernoflexuoside
Peak:m/z	Relative Intensity
116.8181152	0.08
117.8649902	0.22
133.1408691	0.06
142.8307648	0.05
143.9969635	0.08
146.0171967	2.38
146.6728821	0.02
149.0774994	0.04
157.1029663	0.03
159.3541870	0.16
160.0240173	0.12
160.9972229	0.18
170.3657837	0.09
172.1024475	0.06
188.0886993	28.18
195.3406830	0.07
203.1977997	0.03
205.1098175	100.00
206.0431976	0.31
215.1308441	0.04
216.8619385	0.06
222.2843170	0.09
234.2113342	0.04
239.2355652	0.16
246.8719788	0.05
252.4963074	0.03
269.1357727	0.05
275.0930176	0.03
278.7666931	0.03
283.3515015	0.05
285.1606445	0.05
287.4920349	0.17
296.2321777	0.11
313.3781128	0.08
325.3413086	0.04
332.2914429	0.10
334.9612122	0.37
336.3191528	0.06
340.6074219	0.11
345.2311707	0.23
348.1405029	0.21
348.9861755	0.04
350.2674561	0.23
356.4067688	0.18
361.2959290	0.06
362.3124084	0.14
363.2365417	0.45
364.3414917	0.17
365.2510681	0.17
368.5649109	0.07
371.5758362	0.09
372.2911987	0.09
373.2698059	0.63
381.3986511	0.04
386.3879089	0.27
390.5750732	0.38
391.2939148	3.98
392.2918396	0.82
393.9924622	0.13
399.9744568	0.15
408.7407837	0.12
409.5957336	0.14
410.5998840	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	363.12
Annotation	Unknow
Peak:m/z	Relative Intensity
115.1588898	0.19
123.0507050	0.30
123.8475876	0.09
136.1981812	0.35
138.0416260	5.03
158.9888306	0.08
160.9728088	0.18
163.1261902	0.12
174.1903687	0.16
182.0658875	1.84
183.1918640	0.41
195.9295959	0.08
199.1891327	0.35
201.1872253	1.29
202.9448547	0.11
210.0501709	0.16
215.0576172	0.41
221.2410583	0.12
241.3150635	0.07
245.1339111	0.22
247.1235962	0.32
257.2437744	8.41
259.4648743	0.16
263.2065125	0.12
265.1000977	0.13
272.7472229	0.73
275.2552490	0.36
275.9648132	0.18
277.2021790	0.29
278.1931458	0.03
283.1603699	0.29
285.9228516	0.38
287.3049927	0.35
291.1173706	0.52
301.0474548	1.02
303.1784058	0.28
304.9701843	0.20
309.5496216	0.17
315.3804321	0.05
317.0217285	1.18
317.9401855	0.15
319.3255920	1.48
320.2610474	0.11
325.1604004	0.04
326.3090210	0.12
327.3060913	0.36
327.9453125	0.28
331.0473633	1.12
332.1972351	0.06
333.2625732	0.15
334.2488403	0.18
334.9121399	0.15
343.1597290	0.16
345.1229553	100.00
346.1322937	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	418.8943
Annotation	Unknow
Peak:m/z	Relative Intensity
131.1402130	0.05
159.0167389	0.27
174.9794617	1.57
253.0598755	0.08
273.0897827	12.51
274.0294800	0.42
275.0716858	0.65
277.2090759	0.12
284.1723633	0.04
288.9653931	27.18
292.1526489	0.07
303.5959167	0.29
305.0429993	100.00
310.9428406	0.05
330.1826477	0.10
333.0903931	0.10
344.3980713	0.17
345.1268005	0.27
347.4154358	0.29
363.0649109	0.05
372.1008911	1.15
373.0143738	0.70
373.8934021	0.08
374.9180603	0.58
375.8183289	0.08
391.0887756	0.23
391.8893738	0.14
395.1180725	0.05
400.5843201	0.26
401.2581787	0.64
408.9325867	0.30
416.2648621	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	443.16
Annotation	Unknow
Peak:m/z	Relative Intensity
129.9563599	0.28
131.2353516	0.15
145.3574066	0.20
155.8776703	0.07
157.4274597	0.15
158.0905609	0.12
171.3422394	0.17
175.1924591	0.16
177.2325134	0.05
199.1944885	0.20
202.1051178	0.06
207.3602448	0.20
215.9074097	0.10
217.1263885	0.04
218.1792603	0.34
234.1669922	0.06
236.0602417	0.49
238.0997925	0.04
239.3516235	0.14
245.3081970	0.55
246.0572510	0.07
259.2134705	0.05
263.1256104	1.23
264.2434082	0.44
266.0926208	0.04
269.0918884	0.09
272.5028992	0.05
277.9516602	0.20
281.2197876	100.00
284.3115845	0.13
285.1874390	0.12
287.2530823	0.06
290.8219910	0.25
292.2231445	0.12
320.3089600	1.52
327.3315430	0.08
333.4706116	0.06
337.0479126	0.11
338.7386169	0.20
341.2008057	0.04
365.1027527	0.10
369.0935364	0.13
381.0634460	0.10
385.8181458	0.18
392.7799988	0.24
396.6197205	0.87
397.3237000	0.33
402.2969666	0.27
407.5138245	0.25
415.3967285	0.71
425.4838257	1.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	382.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
109.0395355	0.40
118.0520935	0.13
122.9649506	0.19
125.0138397	0.20
125.9715118	0.28
127.0408554	0.54
129.9949951	4.38
134.0699158	2.03
144.0386353	0.26
145.0121155	0.56
146.0340424	0.75
146.8338165	0.29
152.2822571	0.18
158.0721436	100.00
159.0674744	0.28
160.1069641	0.22
164.0412903	0.14
169.9338684	0.14
171.0143890	0.07
172.1181030	1.89
174.0409241	0.59
176.0553894	54.77
179.4138489	0.46
181.2612152	0.51
183.9005432	0.09
185.0636902	0.21
186.0983429	0.30
188.0305634	4.02
189.1459198	2.26
194.0335236	0.28
196.0460205	0.17
198.0209503	0.10
199.2520142	1.63
200.1220856	8.78
201.4816284	0.63
203.1565552	0.18
204.0075684	0.29
207.3886261	0.24
210.0041046	0.12
212.1173096	0.23
213.1812897	0.46
214.1049500	0.33
218.1868591	5.61
219.2084351	0.15
220.0258636	0.40
224.0671692	1.05
225.1516724	0.34
227.8567505	0.10
229.1356506	0.06
230.9954529	0.58
232.0824890	0.40
237.1716309	0.49
242.1322327	7.11
243.4194336	0.36
246.2938843	0.34
248.0862122	0.17
250.3948364	0.17
252.2215271	0.06
256.2286377	0.31
260.2486267	2.00
261.0653687	0.10
265.4092407	0.20
268.2561646	0.32
273.2197876	0.23
273.8749084	0.19
275.9430542	0.49
278.1046753	2.14
283.3427124	0.14
284.1557617	1.34
290.9231567	0.23
292.1276550	1.04
293.0766602	0.69
296.1524963	37.34
298.1933899	0.08
300.7080994	1.84
301.3386536	0.24
302.2228394	3.83
303.4726257	0.53
306.9158936	0.37
308.5424194	1.21
309.5040894	0.29
310.3342285	0.33
317.2701416	0.20
318.2556152	0.06
319.2398376	0.14
320.2716980	6.08
322.2396545	0.21
323.2655640	0.11
324.5106201	0.18
328.2050171	1.44
332.3958740	0.24
335.5805054	0.86
336.2116394	0.76
336.9800720	0.14
338.2554626	16.59
341.0349121	0.13
343.9580383	0.08
344.8617554	0.41
346.1435547	9.34
347.3444824	0.23
349.6510010	0.34
353.2858276	0.08
358.9147949	0.17
364.1274719	46.66
364.7505798	0.09
372.7169189	0.33
373.4970398	0.06
377.4527283	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1086
Annotation	Galactinol
Peak:m/z	Relative Intensity
101.0838165	2.76
113.0435867	18.41
118.9986572	17.55
125.0794907	0.68
130.9816895	7.54
141.6128998	0.71
142.9961243	12.65
146.1203308	1.41
146.889801	0.98
149.1967773	1.78
159.414856	1.06
160.9908752	15.40
179.0536652	100.00
205.085495	2.43
206.1342926	0.81
208.8893127	0.46
210.3157654	0.85
219.2217102	1.30
220.0886536	0.98
223.9422607	0.77
226.4204712	1.29
230.1399841	0.54
237.0376282	7.92
240.2684326	0.50
242.1749573	3.03
247.1233521	0.80
249.1725159	1.24
266.2542114	1.59
271.2891541	2.83
272.3138428	1.00
277.0045166	0.67
279.2750244	1.69
280.4744873	0.90
281.1897583	1.65
282.0142822	1.85
287.2289429	1.21
295.1308594	4.30
297.0740051	11.44
298.1890259	2.03
311.3782043	2.26
314.3981018	0.43
322.1271973	0.76
323.1451416	1.09
324.2626038	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	402.9168
Annotation	Unknow
Peak:m/z	Relative Intensity
130.9291840	0.01
147.1289062	0.01
159.0637970	0.20
160.1576233	0.07
175.0722351	0.60
176.1871643	0.03
230.0797424	0.01
245.2169495	0.19
261.0237427	0.00
273.0755005	3.53
274.1824951	0.91
286.9956665	0.03
289.0006714	100.00
290.0122070	14.21
313.0654602	0.01
314.0506287	0.01
327.0765076	0.02
329.1605225	0.07
330.1032715	0.03
331.0899658	0.01
332.2486572	0.01
346.9442444	0.02
357.1033630	0.22
358.2417603	0.09
359.0534973	0.03
360.2340088	0.07
368.2579956	0.01
374.8123779	0.04
384.9772644	0.02
385.9043884	0.04
403.0294189	0.01
404.1913147	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
93.01077271	0.45
96.73999023	0.06
99.0622406	0.11
100.9936447	0.80
106.9941177	0.49
107.9669113	4.86
109.0144501	8.97
110.9100723	0.07
112.9165115	0.62
115.0143585	0.04
118.9004669	0.10
121.0321503	1.21
122.0417938	0.25
123.0482483	1.26
128.4560547	0.09
133.9633484	0.04
135.0784912	1.52
135.9536896	0.13
138.9958801	0.07
145.2373657	0.05
149.1592255	0.19
151.0286865	5.14
152.0126038	33.89
153.0258789	100.00
161.0513916	0.36
163.0927582	8.48
165.0653687	12.85
167.1024933	0.15
170.2705383	0.10
174.2301331	0.36
175.0922546	0.08
177.1361084	0.82
179.1344452	1.88
181.0894165	3.28
183.0004425	0.17
189.1254578	0.74
191.1203156	0.37
193.1178589	1.07
195.1134338	4.39
202.0299377	0.19
203.2928772	0.06
207.0780029	3.05
217.1513672	0.75
219.0743103	0.76
223.2261658	0.21
225.1906738	6.92
233.0235596	0.06
237.1474304	0.19
249.0736084	0.23
255.0209351	0.13
267.1213684	0.17
268.1600952	0.41
269.117981	0.46
271.3700867	0.13
272.3403931	0.18
273.1407471	0.07
285.1630859	0.11
287.484375	0.11
295.1767578	0.07
297.1801147	1.56
299.2059326	0.07
300.3155518	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2212
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
91.08621216	0.75
95.02923584	0.56
97.09144592	0.92
100.9969788	0.24
105.0379486	0.18
107.148468	0.35
109.0092621	1.01
110.9211121	0.83
113.0610275	0.50
114.9644928	0.32
119.157135	0.18
120.9085846	0.23
123.0008698	0.94
125.0083923	0.37
127.0955963	0.21
128.9081116	1.03
132.9957733	1.92
135.0514526	0.13
137.002533	0.34
139.2273254	0.98
141.0663452	1.72
143.1732178	0.62
144.9385376	0.13
146.8951111	0.58
149.0070648	1.37
149.710022	0.46
153.1239014	1.39
155.2058411	0.53
156.0341949	0.54
157.2173462	1.34
159.2480164	0.60
161.4905243	0.45
162.9893646	1.23
165.163147	2.19
169.0494843	3.01
170.1565247	0.66
170.8944092	1.41
173.0501099	0.24
173.9417114	0.32
174.9660187	0.57
176.1620483	1.02
177.1983032	0.51
179.089325	0.49
180.9848938	1.78
182.9745026	2.72
184.4621887	0.65
186.7487793	0.17
188.1846313	0.91
191.2837219	0.43
192.9051208	1.04
195.1271362	2.01
197.0449219	1.74
198.4931183	0.28
199.2575684	1.49
200.9276581	0.48
205.2919617	0.24
207.2596436	0.25
208.8844299	2.02
211.1090393	2.97
213.2102356	1.43
215.1249695	0.78
217.2202454	0.31
221.0598145	0.37
222.3328552	0.19
223.2138062	1.58
225.1261597	0.92
226.2086487	1.21
227.1736755	1.02
229.2582703	1.28
230.1683044	0.30
233.3730164	2.69
234.5385132	0.84
235.2309875	2.21
236.0538025	0.12
237.2026062	1.23
239.1188354	1.31
240.6737061	0.15
241.3127747	2.03
247.1688232	2.56
249.3612061	0.54
251.258667	4.18
251.9673462	0.21
253.1628418	6.43
255.1737976	0.37
257.3716736	0.38
262.2503052	0.94
264.2264404	0.33
265.2351074	2.61
266.2427368	1.85
267.1755371	1.69
268.1434937	0.33
269.2012024	3.12
270.1137695	0.78
275.3179626	25.47
278.2169189	0.38
279.5856934	0.31
283.2799683	3.02
287.803894	1.01
289.0961914	0.25
290.3844604	0.14
291.0930786	0.72
293.2018127	100.00
293.9849243	0.80
298.9910278	0.52
302.016449	0.25
310.7966919	0.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	589.16
Annotation	Unknow
Peak:m/z	Relative Intensity
171.2992554	0.03
173.1268616	0.05
174.9438629	0.28
191.1519470	0.03
193.2151794	0.14
201.0231934	0.03
215.1775360	0.10
217.3773651	0.03
220.7350159	0.25
235.1363525	0.45
245.0547638	0.69
245.9090118	0.07
246.6724091	0.03
263.1452332	0.97
264.9863586	0.07
280.0179443	0.03
285.2162476	0.03
289.1461792	0.67
291.3385620	0.06
307.1979675	1.93
314.7556763	0.04
317.2124634	0.61
325.1892090	2.30
329.1615601	0.16
335.1472778	0.62
341.3798218	0.06
344.3844604	0.05
347.1718140	0.19
353.1871338	0.03
359.2729492	0.20
361.2380371	1.10
362.0032959	0.12
365.1368408	0.13
367.3275146	0.20
373.7124634	0.08
377.2403564	0.39
379.2475586	5.34
387.1176758	0.09
395.2978516	0.09
397.2830200	8.89
415.2315063	0.09
416.1501465	0.08
418.0455933	0.89
419.0481567	0.03
421.2607422	0.39
424.4612427	0.12
434.3641357	0.09
439.3339233	3.13
442.0255127	0.59
443.1990356	0.10
449.2561646	0.10
453.1939087	0.04
457.2568970	32.49
458.0675659	0.10
468.2568359	0.06
474.4865723	0.08
490.9732056	0.21
493.3097534	0.80
499.2997437	0.83
503.2543335	0.24
504.1630859	0.11
511.2986450	25.52
517.2272949	0.12
526.9192505	0.08
529.2906494	100.00
529.9385376	0.33
553.5187988	0.31
558.2895508	0.11
569.9409790	0.06
571.3373413	2.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	254.1761
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
84.0454254	0.03
91.8798370	0.01
95.0102997	0.04
96.9720612	0.04
106.0104370	0.06
108.7647247	0.02
110.1534424	0.07
112.0268402	0.02
120.2556000	0.03
125.2191467	0.03
126.0310974	0.02
127.1904144	0.02
136.0151672	0.07
138.0700684	0.05
139.1191711	0.03
140.3864899	0.03
141.1453094	0.02
162.0206909	0.03
163.1656494	0.07
163.8261414	0.03
165.9810181	0.29
167.2475891	0.06
168.1467285	1.48
169.1745453	0.81
170.4109650	0.02
171.0996552	0.04
172.2089386	0.02
175.4170532	0.01
178.1648865	0.36
179.1053619	0.11
180.2326813	0.19
181.2111359	0.14
182.1935425	0.35
184.3739471	0.02
185.0930634	0.04
189.2402496	0.03
190.1995087	0.81
192.0863342	1.01
193.1153717	0.13
194.1330261	0.10
195.2324982	1.79
196.4434357	0.03
197.2513580	0.34
198.2418671	0.17
199.3137970	0.02
200.3383789	0.06
206.2480774	0.04
207.0882416	0.26
208.1656189	0.49
209.3544769	0.35
210.1981354	8.45
211.2501984	0.18
213.4199219	0.03
216.2476959	0.08
218.2185822	2.58
219.2353973	1.00
220.2147827	0.20
223.1784210	0.24
224.2774200	0.33
225.1606598	0.05
226.2579956	0.69
232.1936798	0.03
234.2371368	16.98
236.1950836	100.00
237.2091827	0.21
238.0696564	0.02
239.2750397	0.27
254.2886505	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	589.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
174.9313202	0.12
182.1601105	0.52
185.0348511	0.07
186.8976440	0.13
199.0051575	0.50
200.9188843	0.20
203.3064270	0.02
204.9881287	0.09
211.2182465	0.02
213.0785828	0.12
216.9814606	0.35
224.9794312	0.32
227.1099396	0.02
228.9908295	0.12
234.9011841	0.63
241.0750275	0.03
243.2708130	0.02
244.1441956	0.04
244.9558105	0.19
246.7975616	0.11
253.0153351	0.08
255.1375122	0.11
258.9359131	0.19
261.0994873	0.03
263.0369873	0.04
264.4757080	0.09
265.1138000	0.12
266.9718628	0.04
269.0781860	0.04
271.1730042	0.31
275.0618286	0.35
275.8316956	0.06
277.0695801	10.47
278.2556152	0.09
280.2062988	0.08
289.0756531	1.42
295.0471802	0.77
300.8705139	0.09
303.1127319	1.59
305.0748596	0.33
306.9458008	22.11
311.0756531	0.01
313.2098083	0.02
317.3128662	0.09
319.0936890	4.48
321.2244873	0.33
322.7811279	0.11
325.0786743	0.32
327.1685181	0.02
328.3970947	0.03
329.0680542	0.07
331.0225830	0.47
332.6260986	0.04
334.9592896	0.06
335.5739136	0.06
336.9938354	9.66
337.7514648	0.01
342.9791260	0.53
344.1868896	0.13
345.4490356	0.14
347.0726318	0.72
349.0173340	0.63
351.2144775	0.03
354.9972534	0.89
357.5565186	0.07
361.1133423	0.47
364.2817993	0.12
365.1022339	0.52
367.0106201	23.50
371.4096069	0.02
372.0268555	0.07
373.1767578	2.50
377.2946777	0.15
379.0238037	0.58
382.0977173	0.96
382.9290161	0.08
391.0381470	11.08
395.1038818	0.27
397.0904541	22.68
406.3524170	0.17
407.1569214	0.64
409.0570068	56.75
409.6751709	0.18
413.1242676	0.02
415.1505737	0.11
425.1462402	0.88
427.0355835	100.00
427.7216797	0.45
429.3200073	0.04
441.3573608	0.02
447.3274536	0.03
450.1164551	0.03
451.1121826	0.02
452.2459106	0.02
456.1084595	0.08
457.2427979	0.03
462.1411133	0.04
469.0478516	0.24
498.2269897	0.27
499.1857300	1.17
500.6859131	0.06
508.3248901	0.05
511.2723999	0.07
515.4436035	0.09
516.3104858	0.04
524.1865845	0.12
529.1641846	0.25
544.1934204	4.04
545.2596436	0.47
553.1465454	0.24
570.2235718	1.10
571.1857910	7.24
572.2676392	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	215.03
Annotation	2-C-Methyl-D-erythritol 4-phosphate
Peak:m/z	Relative Intensity
71.0679398	0.93
78.9165497	2.63
100.9209595	1.38
106.2507477	1.27
113.0025940	7.36
116.2326813	2.91
117.0531158	0.76
118.9424744	7.87
130.9226227	4.56
142.9191132	14.02
148.9314117	3.96
160.8947601	5.04
177.2405090	1.92
178.9915314	100.00
197.1150513	4.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.283
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
113.1489105	1.44
115.0367203	1.44
120.8478699	1.36
122.9124985	3.17
124.8286362	1.29
127.0829163	2.94
133.0059662	1.07
137.0169067	2.94
139.0234528	8.20
141.003067	7.75
145.1609802	4.22
149.0248718	100.00
150.0850983	49.52
151.1697845	6.53
156.9237366	0.71
161.0676575	7.22
162.9683533	3.44
164.9622803	1.35
167.0222168	33.04
168.0772705	17.24
169.0509033	6.42
173.1045685	4.63
175.0261383	2.05
177.0450745	6.64
183.4076843	2.33
185.0991516	1.59
189.2315826	3.76
191.2048035	3.06
192.8152161	5.50
195.0576782	3.67
197.038208	5.44
199.1140442	5.07
201.234436	3.71
204.1730499	2.56
207.0897522	2.74
209.0652466	2.18
211.0526123	1.68
212.1987915	2.18
212.9741058	1.59
216.2634277	4.58
217.2120972	2.13
219.3115082	0.92
228.970459	3.39
231.0020447	1.80
233.0223999	1.06
235.1872253	2.87
237.1902161	1.66
238.9350281	3.97
241.4631653	2.16
250.8202209	3.66
251.9098511	3.09
252.6881104	1.79
256.7112732	1.27
260.5032654	14.35
261.5272827	12.96
262.1756287	0.36
270.0281982	2.11
273.2734375	3.30
275.7554932	2.10
276.9916382	2.28
277.8859558	1.94
278.954834	25.58
279.9472961	25.38
286.1793823	2.03
295.2415771	1.06
299.0375977	1.96
303.045105	2.68
305.1700745	2.17
307.2062073	2.18
310.131958	4.70
312.267334	1.80
313.6306458	3.08
315.2991943	0.76
318.1038818	1.73
319.1403198	2.62
320.4328003	1.80
323.2900696	3.42
324.1045532	1.57
325.1412354	3.91
332.1800537	1.75
333.1402893	3.69
334.1871948	3.92
335.2295227	2.16
341.0003052	1.73
343.4984131	14.22
346.1653137	2.63
346.806366	1.88
347.8604126	4.65
350.2728271	7.11
351.877594	0.76
355.2524719	3.58
356.6130066	6.68
357.2863464	7.76
361.1318665	3.46
363.815918	2.21
367.0036316	0.99
367.915863	2.18
368.7009583	5.08
372.3261719	1.14
373.1923218	1.57
374.1313171	17.25
375.2888489	23.26
381.1701355	3.30
383.2356873	4.12
387.9510803	2.91
389.3905945	2.34
392.4571228	3.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	307.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
94.8843002	0.04
96.9732361	0.09
99.2010346	0.03
100.7901154	0.06
103.0261917	0.11
111.1575775	0.05
115.0932770	0.09
123.8943024	0.04
128.9094238	2.39
137.8050232	0.02
140.2014771	0.02
145.1058655	0.31
147.0392456	3.59
152.0644531	0.04
159.0302734	0.18
160.8832550	0.14
163.1474152	0.18
163.9092407	0.03
172.9831238	1.63
174.0474548	0.03
177.2940063	0.06
179.0876160	0.11
181.1527252	0.03
183.2355957	0.12
184.0497437	0.13
190.9949188	100.00
209.0178223	0.54
211.0856018	0.05
221.2213440	0.06
227.1067200	0.03
228.4250183	0.02
232.7670288	0.04
235.2269592	0.06
239.3438416	0.05
245.2907104	0.03
249.0438232	0.04
252.3189087	0.04
253.2178345	0.04
254.1936646	0.49
255.0830078	0.05
258.4039917	0.05
261.0390625	0.96
262.5378113	0.17
263.3639832	0.18
264.5467834	0.02
269.0903931	0.16
270.9708862	0.25
272.2467041	0.31
272.9872742	0.10
277.2070923	0.21
288.3303833	1.05
289.2048340	9.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	393.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
142.0905457	0.56
145.9319611	0.10
147.1842041	0.23
148.9599457	0.67
150.0836487	0.46
163.0707703	0.61
167.5744629	0.15
172.8688354	0.13
193.0475769	0.16
202.2695007	0.47
222.1957245	1.04
247.2498779	0.37
252.4451294	0.43
253.4884949	0.31
260.6647949	0.27
261.5874939	0.15
263.3259277	0.59
271.1706238	0.22
277.2130737	0.55
279.4716187	0.52
280.1843567	5.13
286.9782104	0.89
289.2369385	0.24
296.0620117	100.00
297.1180420	0.48
299.1185303	0.49
303.4120483	0.70
307.4102478	0.36
308.7780457	0.16
310.1346436	0.28
311.4711914	0.90
333.2429199	0.59
334.3906250	0.23
338.3094177	0.48
343.1014709	0.24
345.4165649	0.27
346.6900024	0.23
357.6204834	0.40
361.1291199	0.52
362.9956360	0.12
369.8878479	0.72
374.3882751	0.75
375.2435608	0.98
396.8217773	0.20
411.2134399	0.80
429.1991882	0.53
591.0656738	2.09
592.1664429	0.37
622.8926392	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	313.0926
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
95.0421906	0.10
97.0226974	2.56
98.9501877	1.64
100.8757401	14.12
102.7580109	0.05
107.0627365	0.19
110.4504242	0.34
112.9633255	10.87
124.9079742	1.10
129.0515137	1.43
141.0506592	0.16
143.0342712	4.01
151.2330627	0.53
159.0699463	9.97
161.0269470	100.00
173.0443268	0.34
190.8802185	0.62
222.2328186	0.16
251.1596375	0.14
267.4239502	0.14
269.1937256	89.40
275.2568359	0.08
285.0543823	0.16
293.2686768	0.15
295.3509521	0.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	373.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
113.0739212	0.41
114.1118698	0.05
122.9335175	2.11
123.9168320	0.14
124.9825211	0.36
125.8676071	0.03
129.0498657	0.09
131.0189514	0.14
141.9121552	0.07
142.9682922	0.43
149.0667419	0.47
150.1226501	0.07
156.8869324	0.07
158.9561462	0.95
160.9884491	6.26
162.0606384	0.78
163.1399536	0.04
167.3584900	0.03
178.9706268	0.09
193.0468140	4.37
194.0615540	0.45
198.2438049	0.02
200.2170868	0.03
201.9975739	0.04
204.4413757	0.20
205.0887146	1.15
205.9115601	0.17
207.8215637	0.02
211.1798096	0.88
211.9012756	0.03
213.0903168	0.04
215.1052246	0.02
228.2733765	0.04
231.2413025	0.22
241.1049194	0.02
243.2628784	0.03
249.0861816	100.00
250.1856689	11.52
251.9434204	0.02
257.6586609	0.02
269.3408813	0.09
277.3998108	0.08
285.4639282	0.11
287.3061523	0.07
293.3567810	0.02
301.2942810	0.05
313.0413208	0.04
315.9590759	0.07
327.2558289	0.29
329.1214600	0.30
330.0231323	0.09
336.1273193	0.54
337.3375244	0.12
338.0910034	0.21
343.1347656	0.03
345.0960083	0.03
355.2262573	0.44
356.2759094	0.14
358.2397766	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	273.96
Annotation	Unknow
Peak:m/z	Relative Intensity
114.9547577	5.07
115.9665146	1.14
131.0157166	0.43
132.1005096	0.11
158.9528046	100.00
160.0451355	25.12
173.2049713	0.01
198.9678955	1.88
199.9126282	0.81
201.0379944	0.06
202.2459412	0.01
217.0843201	0.72
218.0535583	0.51
227.5512390	0.01
228.9798584	21.49
229.9797668	11.65
244.9713745	0.59
246.0154419	0.51
273.9747620	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	673.22
Annotation	Unknow
Peak:m/z	Relative Intensity
199.0840149	0.07
357.1290894	0.08
413.6402588	0.24
427.2363892	0.27
428.1550903	0.20
429.0407104	0.78
443.0275269	2.05
444.2395630	1.63
445.0361328	3.59
446.1780396	0.21
483.6823730	0.09
484.9124756	0.07
503.7795410	0.09
525.0247192	0.81
526.9170532	2.34
528.0419922	0.30
528.9486694	0.14
541.9642944	0.07
542.9967041	1.91
556.9317017	24.53
557.9351807	16.77
558.9608765	100.00
560.0183105	8.92
561.0209351	0.08
573.4159546	0.08
574.6122437	0.12
575.9978638	0.37
577.6115723	0.06
590.3207397	0.06
593.7097168	0.33
597.6166382	0.06
626.4539185	0.09
627.3566895	0.13
629.9657593	0.23
641.0559692	0.08
642.6504517	0.32
643.3330688	0.22
645.0939941	0.16
647.4390259	0.17
650.0147705	0.09
656.7952271	0.17
658.0348511	0.19
662.4228516	0.13
663.9689331	0.14
669.0778198	0.11
681.1170044	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
84.73886108	0.16
86.74191284	0.12
90.96417999	0.10
93.02211761	0.19
95.10646057	2.24
96.07588196	0.08
97.02657318	1.36
100.830719	0.07
105.2992783	0.09
107.0716019	0.41
109.0341492	2.81
111.0600357	1.49
113.0858231	0.81
116.9051819	0.06
121.0477066	1.18
123.0684814	5.18
125.0187988	0.69
127.0870514	0.67
129.1045685	0.43
130.861084	0.09
133.10495	0.65
135.037323	0.76
136.9931641	1.68
139.0717163	5.11
140.995224	0.78
143.0100403	0.31
147.0792694	0.70
148.9824219	0.87
151.1534729	0.52
153.0583954	2.19
155.041626	0.66
157.1360168	1.12
159.2182312	0.22
161.1713257	0.57
163.1854095	0.55
165.0681	0.63
165.9839172	0.16
167.2418976	1.01
169.144104	1.81
170.2465057	0.07
171.1708374	0.33
172.8617706	0.20
175.1828156	0.91
177.3316498	0.53
179.061615	1.88
181.1490173	0.13
183.1668396	0.57
185.1508179	0.41
189.2302704	1.44
191.142746	0.29
192.1452332	0.22
193.1755981	1.14
195.220993	0.67
197.0827332	4.51
199.2733459	0.51
203.1451721	3.03
205.2443237	0.22
206.9940491	0.71
209.2591248	1.20
210.0275574	0.14
211.2442322	1.85
213.2753601	0.70
215.0867004	0.19
217.2892761	0.09
218.1894836	0.11
219.4447327	0.57
221.199646	4.55
223.2370605	0.71
225.0765076	0.80
227.3355408	0.53
231.2668457	0.09
233.1563416	0.94
235.9640808	0.09
237.3610229	7.66
239.2475281	15.76
241.2218018	0.67
243.131012	3.22
245.0151672	0.12
247.2817993	0.08
251.2530518	2.08
253.2146912	0.53
254.1504517	0.32
255.2133484	3.91
256.3048096	0.29
257.0611267	1.64
261.328064	3.43
269.2815552	1.28
271.1872559	0.16
279.2221069	100.00
280.4160461	0.61
281.2016907	0.07
288.8664856	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	401.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
145.1264343	0.21
145.9648438	0.03
154.9661102	0.03
161.9613647	0.17
162.8366089	0.17
165.0340424	0.05
179.2170105	0.05
186.4524231	0.05
193.3058624	0.12
201.1936188	0.05
203.1936340	0.11
218.3448181	0.05
221.1307068	0.02
222.3153381	0.05
226.7983093	0.04
238.4962158	0.22
239.2476807	0.19
240.2707825	0.07
254.3856506	0.03
264.2056885	0.03
269.2245789	0.23
272.2411499	0.19
273.0552063	0.08
279.1255188	0.06
280.2796631	0.10
283.3263550	0.06
284.3095703	0.05
285.2358398	0.09
298.3157043	0.06
302.2173157	0.08
304.9696350	0.09
309.0800171	0.05
310.2268372	1.33
311.1204224	0.11
313.2100220	0.04
315.0571899	0.11
317.3886719	0.09
320.2648926	0.14
327.2197266	0.08
328.4660645	0.08
332.5577087	0.05
333.5099487	0.07
338.1351929	0.05
339.0354309	0.05
341.1032104	0.99
342.0662842	0.08
353.2084961	0.12
354.1895447	0.83
355.2995605	0.86
357.1809387	100.00
358.2302856	0.08
359.2605896	0.06
364.1637268	0.19
365.2890625	0.16
366.4401550	0.04
371.4715271	0.07
373.2888489	0.15
381.3843689	0.17
382.2935181	0.66
383.2821960	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	541.13
Annotation	Resveratrol 4'-(6-galloylglucoside)
Peak:m/z	Relative Intensity
161.0053864	0.57
179.0761108	0.45
180.0830688	0.30
185.3354187	0.02
198.0073547	0.02
221.1815643	0.18
232.5589142	0.11
233.1665039	0.18
234.1646576	0.05
234.8615723	0.03
251.0407410	0.11
259.1072998	0.10
264.8547363	0.05
280.8516541	0.21
311.2921143	0.02
312.1139526	0.03
322.6817627	0.33
323.3227539	0.31
324.2166138	0.10
341.0928345	1.06
341.9569702	0.15
343.1497192	0.07
357.1823120	0.03
359.2523804	0.17
360.2478027	0.14
361.1799316	0.37
377.2749634	0.68
378.2062988	0.98
379.2949219	2.07
383.3453369	1.84
384.3156738	1.14
385.1094971	0.06
396.2997437	0.03
401.4238892	0.03
404.1935425	0.04
413.2747803	0.06
425.2856445	0.10
443.1160278	0.61
444.1560059	0.48
468.4754028	0.06
473.3204956	0.06
480.1796265	0.08
496.3901978	0.08
503.3972168	100.00
504.3189087	66.05
505.4141235	15.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	736.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
213.0961304	0.17
214.1094666	0.08
215.1791382	0.04
225.8513641	0.25
230.5947571	0.03
232.0446320	0.23
255.8856201	0.20
268.2291260	0.03
273.2189636	0.39
274.0393372	2.10
275.1293945	0.14
292.1084595	0.45
298.2485962	0.02
302.1758423	0.04
304.0692444	0.09
331.9374390	0.03
332.9697876	0.09
334.0678101	0.29
335.1057739	0.08
346.3717041	0.03
352.4625244	0.02
357.7528687	0.05
376.2201538	0.46
382.1318359	0.03
392.2833252	0.07
393.1325073	1.36
394.1112061	2.95
395.0889893	2.62
396.2098999	0.03
404.0435791	0.05
406.2326660	0.02
410.2762451	0.04
412.0863647	2.60
412.6886597	0.02
436.0463867	0.02
450.1663208	0.04
452.1994019	0.84
452.9940796	1.13
454.1791382	100.00
454.9582520	0.08
466.2675171	1.23
467.1857300	0.04
482.1225586	0.10
483.1181641	0.25
484.2292480	2.24
485.0952148	0.03
494.4362793	0.03
495.2492065	0.09
496.3338013	0.97
508.2347412	1.43
512.0549316	0.23
514.2648315	4.27
520.1245728	0.03
525.2632446	0.02
526.3148804	0.14
528.4484253	0.02
535.5928955	0.02
537.6849365	0.12
538.3762207	0.98
545.2195435	0.04
555.0453491	1.14
556.3180542	29.33
557.4691772	0.02
572.5673218	0.47
574.2269287	62.43
575.3029785	0.22
597.8137817	0.02
604.1804199	0.10
605.0899658	0.09
615.0011597	0.07
628.2187500	0.14
629.4045410	0.04
643.3457031	0.03
646.3013306	0.07
647.1277466	0.04
657.5655518	0.06
676.3276367	0.04
688.0811157	0.03
689.7302856	0.06
699.9895630	0.38
704.9672241	0.02
717.6563110	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	461.08
Annotation	CDP-N-methylethanolamine
Peak:m/z	Relative Intensity
136.1220245	0.17
147.0475006	0.11
157.1498718	0.10
166.1636047	0.07
183.2800598	0.09
221.1431427	0.18
269.2978210	0.06
274.3475342	0.08
276.3106079	0.25
279.3340454	0.12
282.3131409	0.04
283.1275024	0.15
285.0260620	0.09
287.2893066	0.27
298.2362671	0.16
299.1543579	0.09
301.1591797	2.21
302.1929016	0.09
303.0968628	0.27
306.2817078	0.04
309.3818359	0.28
310.3074036	0.03
312.1976624	0.29
313.2658386	0.87
314.2609558	0.41
321.3294678	0.09
325.8948059	0.11
327.0411377	0.52
330.1739502	0.21
331.4916382	0.29
332.3470154	0.13
333.7392883	0.04
344.3524170	0.39
345.0220947	1.12
346.2047119	0.59
347.1919861	0.09
355.0983276	0.58
356.1177063	0.28
371.0344543	0.11
371.8741455	0.09
373.2563171	12.93
374.3536072	0.13
383.1366272	0.07
385.1504822	0.04
390.8595886	0.20
395.9859924	0.05
397.7254333	0.26
399.1507263	23.69
403.4617004	0.14
414.9414673	0.05
417.0462341	8.25
417.9541321	0.08
425.1755371	15.30
429.4617920	0.12
437.0437317	0.22
443.0711365	100.00
443.7623291	0.30
451.9632263	0.09
452.8836670	0.48
464.7838440	0.05
465.5058289	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	526.2
Annotation	Unknow
Peak:m/z	Relative Intensity
147.1164246	0.41
147.9165192	0.52
148.8929138	0.43
162.9058838	0.14
165.0067139	14.27
166.0606384	8.53
167.0639038	1.22
182.0107117	100.00
183.0153351	65.30
184.1189728	12.92
201.1833801	0.08
241.6891174	0.14
277.1786194	0.33
283.4315796	0.17
288.9507446	0.27
290.3806152	0.29
291.0410767	0.29
307.7204590	0.23
308.6010132	0.20
325.2438965	0.12
325.9305420	0.43
327.1304932	0.10
333.7014160	0.14
343.8378296	1.38
344.5502930	0.94
345.1605835	2.76
346.1156616	0.82
354.8235474	0.62
361.4865112	1.61
362.6937866	3.17
363.5886841	0.65
392.1580200	0.67
397.2174683	0.26
428.0945435	0.39
508.0174561	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2832
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
131.0390472	3.38
134.9664154	2.73
139.0744324	2.64
141.1674194	1.64
146.8766174	1.04
149.0201416	100.00
149.9728088	28.96
151.2371216	0.68
153.109375	2.57
156.860733	4.45
163.0687866	0.97
167.0079346	24.28
168.0849304	12.45
170.131012	0.82
170.8911133	1.12
175.058197	1.70
189.1538086	1.63
191.0956726	2.15
199.2159271	8.94
199.9853363	3.60
202.9505463	1.85
207.3196259	1.48
209.2839661	0.97
221.2655334	1.47
229.2442017	1.27
232.0880737	2.59
233.3070068	2.13
234.3183594	1.26
235.463623	2.94
247.9310608	1.71
251.2640076	5.48
253.1648865	3.87
260.3712769	8.09
261.2846375	32.25
262.2345276	1.77
265.1427307	2.61
266.1273193	1.19
269.1955872	2.73
271.2912292	1.90
278.888855	19.99
279.8561707	21.41
280.481781	4.28
290.2879639	3.30
296.2913818	0.60
302.2081909	12.83
308.842041	1.55
319.9972534	2.01
325.0518188	3.98
326.9918518	7.55
329.2205811	1.61
332.23703	1.04
334.2122498	3.67
335.1812134	1.32
338.3592529	2.52
340.5718689	2.44
346.2001953	2.65
347.0728455	5.14
348.3323669	3.45
349.4932556	3.58
350.7352295	1.21
351.3518066	9.91
356.7153625	2.82
357.3551331	3.40
361.0821228	4.70
362.4532776	1.41
364.4300537	4.85
365.2752991	2.80
369.4507141	4.11
374.3699036	34.36
375.327179	23.78
376.2810974	1.34
378.4631042	1.90
382.757782	12.11
391.7900696	5.42
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
158.9744263	3.78
160.0606232	0.85
160.9781952	0.46
198.9741669	0.82
200.0796661	0.08
201.0439453	0.30
216.8840637	0.44
218.1648712	0.08
219.1981812	0.19
229.0717010	0.99
230.1179504	0.10
231.2855530	0.24
273.0096130	51.78
274.0271606	31.82
275.1049805	27.39
385.0919495	0.08
387.1097107	64.62
388.0732117	100.00
389.0672302	84.19
427.9173584	0.61
429.1392212	0.11
456.1434021	0.22
472.1310120	0.11
476.8800964	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	448.22
Annotation	Unknow
Peak:m/z	Relative Intensity
140.7624969	0.21
166.2211304	0.30
175.2906189	0.16
187.3308258	0.09
196.9639893	0.19
220.2275543	0.62
221.2137604	0.07
238.2933655	2.83
254.7013855	0.96
256.2429810	5.59
257.4033508	0.18
266.8549194	0.26
271.2557983	0.08
272.0021667	0.08
280.2654114	0.30
281.4767456	0.37
285.2208862	0.11
285.8577271	0.37
288.2497559	0.26
290.1640015	0.26
291.7604065	0.17
294.2698975	0.55
298.3249207	5.38
300.2650146	0.11
303.4713135	0.16
304.2044067	0.17
312.4900818	0.52
313.2925415	1.52
314.0180054	0.15
314.6317749	0.28
317.2699280	0.40
318.2149048	0.10
319.0912476	0.31
319.7027588	0.12
320.7650146	0.13
322.2780762	0.36
324.3529053	1.81
328.3319397	0.42
331.6648254	0.20
340.4423828	3.48
342.1573486	0.45
345.4324036	0.10
350.4443359	0.21
352.3358765	0.05
354.6961060	0.36
358.4815063	0.30
366.9887390	0.97
368.3721924	4.72
372.4711304	0.05
374.4396667	0.14
375.9579773	0.11
386.4237061	1.29
387.6520691	0.21
389.6073914	0.33
391.5274963	0.38
394.3052979	0.34
402.1729431	1.51
403.2842102	0.10
410.3133545	0.10
412.4136047	4.49
413.6081238	0.09
417.1963501	0.32
430.3961487	100.00
431.4259338	1.25
434.6411438	0.36
438.6576538	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	269.21
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
76.80438232	1.88
78.63964844	0.26
80.89487457	1.79
83.17431641	0.21
84.173172	0.21
92.95328522	0.53
94.94636536	2.36
97.00508118	0.38
98.92506409	2.26
107.130249	0.36
108.9968872	6.19
109.8594513	0.69
111.1967926	0.21
112.6951752	0.36
117.1242981	0.32
118.5666504	0.26
119.3976898	0.29
121.0839081	3.16
122.9681702	3.30
125.088562	1.66
126.9356995	0.21
130.0927734	0.83
133.0339203	1.57
135.1065521	2.89
136.065033	0.28
137.0354462	2.88
138.5777283	0.51
139.2113647	1.46
141.0818176	0.85
142.9151001	0.90
145.0213776	2.20
147.1078949	2.09
149.0804291	2.65
151.0562439	1.48
153.0641632	2.53
154.9927216	5.70
157.0811462	0.99
158.2021179	0.35
159.2300568	0.81
161.1174011	1.57
163.1382446	1.17
167.1866913	1.07
169.0709381	7.68
171.0688782	3.13
173.0756989	3.23
174.220871	0.28
175.1101227	5.38
177.0636139	0.34
179.0405426	1.83
181.0628204	3.14
183.1494598	3.27
185.226181	3.22
187.1408539	1.72
191.0876312	3.38
192.3605499	1.13
193.1351013	3.36
195.1333923	2.90
196.9853668	4.73
199.1739197	2.50
201.1941833	0.19
205.3355865	3.99
207.1779785	1.22
209.096756	11.68
211.1184082	8.93
212.0731659	0.36
213.0786285	6.27
214.2630615	0.52
215.1894836	8.32
221.5715332	0.47
223.3210144	10.58
225.1513214	3.64
226.082077	0.46
227.0969391	5.64
228.1171417	3.81
229.140564	4.24
233.3407593	13.57
239.0800629	0.52
241.3403931	2.94
248.0635223	0.44
249.2382355	0.48
251.1939545	100.00
251.9720306	1.90
253.3016968	1.40
260.6744995	1.15
276.1146545	0.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	391.2832
Annotation	Di(ethylhexyl) phthalate
Peak:m/z	Relative Intensity
115.0798798	1.33
122.9981842	1.40
126.9526672	0.60
131.1089478	1.60
137.0914001	1.24
137.8852234	1.31
139.1403198	3.97
142.1317139	2.55
144.9237671	1.74
149.0207672	100.00
149.9523926	47.07
150.9128723	0.75
155.3344574	0.69
156.0044861	2.04
159.1235046	2.37
167.0255737	20.89
168.0686646	8.48
169.4709473	2.59
171.3232727	3.04
179.1607361	1.04
181.2038879	1.51
182.9993439	1.11
185.95755	1.30
189.1373444	1.38
192.9720154	1.10
198.9962921	0.88
204.1004028	0.95
207.2358856	2.81
212.9310608	3.69
220.9356232	2.39
227.9198914	1.10
229.0683289	1.31
231.3064575	2.03
249.2093506	2.30
251.174408	3.42
252.2485657	1.94
256.8065491	4.20
259.1636353	2.75
259.997406	2.66
260.9449158	6.02
261.7475281	4.31
262.9038086	0.74
265.0189514	2.32
274.1803589	0.74
275.5159302	1.60
278.977356	15.97
280.0861206	23.64
289.4794922	1.19
292.1300049	3.49
293.1162109	2.02
294.7337036	1.66
302.1467285	17.49
310.3370972	0.94
311.1665955	9.06
314.4093933	4.45
315.1430664	2.80
316.2996216	3.08
321.2410583	0.88
325.1397095	0.68
326.3117065	1.53
328.3337097	2.97
329.0805664	7.24
330.0368347	5.22
331.2146606	0.88
332.8542786	2.70
334.5999146	1.52
339.3640747	2.10
343.1308594	3.32
345.9282227	1.10
346.7988281	3.03
347.4733582	4.30
349.3097229	6.79
351.1804199	10.77
352.147522	0.95
354.7929077	1.80
355.537384	1.60
356.6005554	3.25
357.6143799	3.98
360.1786804	2.30
360.9450989	5.28
361.6138306	1.38
367.5279236	1.92
369.1123352	5.01
371.3829651	1.01
373.7291565	6.25
374.3691406	20.86
375.1651917	11.52
376.1184998	2.03
377.0885315	0.89
382.7183533	0.80
383.7687073	9.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.19
Annotation	Acetylintermedine
Peak:m/z	Relative Intensity
102.9958878	0.17
104.9977112	1.47
105.9066925	0.07
108.1084900	0.36
111.0116882	0.09
117.0200348	1.21
118.9410400	0.07
119.7307816	0.15
121.7978363	0.08
127.1591644	0.11
128.9404907	0.44
130.0804901	0.21
132.1380157	0.65
133.0487366	0.15
134.1499634	0.67
139.9891357	0.06
142.7301025	0.07
145.0937347	1.80
146.0355225	0.72
147.1624451	1.92
148.0015564	0.07
149.2298889	0.19
150.0870667	0.25
156.1182709	0.08
158.9415588	0.39
160.1363525	1.70
162.1328430	22.62
163.1344604	0.61
171.2309265	0.24
177.0899048	0.08
177.9140625	0.27
180.1131592	100.00
180.9816284	0.80
181.9281921	0.10
187.0414734	0.24
196.2421417	0.37
198.0250702	0.28
201.2390137	0.07
201.9997864	0.44
203.0671539	0.22
203.9137726	0.09
205.0480652	0.52
208.7999878	0.22
210.1221619	0.26
215.3275757	0.27
217.2577820	0.18
220.1565857	1.48
221.1503906	0.10
222.1419373	0.88
223.4323120	0.10
230.2607117	0.14
231.1665039	0.08
234.3249817	0.12
235.3207397	0.18
238.1274719	0.27
239.5226135	0.08
242.1391296	0.06
249.6560059	0.28
252.3130798	0.88
253.1614990	0.10
254.9761353	0.10
260.9843140	0.29
262.9688721	0.25
264.3231201	0.32
265.5674438	0.06
270.3125000	0.48
281.4371643	0.10
282.5731812	0.20
283.3010254	0.67
284.3973083	0.36
286.0461121	0.12
288.4850464	0.10
289.2743530	0.24
293.5256348	0.14
294.9175720	0.07
295.5315552	0.33
296.3269958	0.35
296.9476318	0.16
297.9402466	0.58
299.3756714	0.18
301.0863037	0.76
306.0852661	0.15
306.9920654	1.04
310.1412964	0.11
311.3732910	0.08
311.9931335	0.10
313.4800110	0.13
316.0916138	0.35
323.0332031	0.41
324.2269287	5.07
325.1803894	1.36
326.1092529	0.22
327.5527039	0.15
333.0227051	1.07
343.4133911	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1086
Annotation	Galactinol
Peak:m/z	Relative Intensity
97.11164856	0.57
100.968277	7.66
113.0340576	25.82
114.8200531	0.26
118.9257889	17.57
124.9790955	3.19
130.3016815	0.37
130.9802246	5.15
142.9599304	20.81
149.0513916	5.23
154.9662476	0.57
161.012207	20.27
176.7844849	0.28
179.0587158	100.00
195.0274353	0.35
196.1689911	0.81
205.0708466	0.45
207.7963867	0.28
220.8852539	0.61
236.9844971	0.67
243.4143066	2.12
246.0605774	0.17
251.2535095	0.24
272.0167847	0.46
281.0193176	1.45
283.0942383	0.20
295.0497742	4.79
295.7147217	0.51
296.9429321	5.22
300.0701904	0.26
302.4534302	0.43
304.712616	0.39
307.6853943	0.26
310.5222778	0.31
311.4487915	2.61
312.5101624	0.57
320.9621582	0.70
322.0968018	0.27
323.2183838	3.67
324.2211914	0.39
325.1305542	0.31
326.098938	0.17
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
84.76889801	0.21
95.03034973	2.79
96.89835358	1.09
98.91427612	0.44
104.7833557	0.16
106.8700638	1.14
109.1159668	2.62
110.9322739	0.40
118.9656677	0.12
120.0441742	0.22
121.0278931	0.35
121.8329926	0.15
122.983223	2.06
124.3876953	0.36
125.1312485	0.91
126.911911	0.95
129.059082	0.66
132.9539337	0.15
135.0743713	1.39
136.146759	0.33
137.1204224	0.51
139.0421448	2.15
140.6996307	1.00
141.4270325	0.24
143.1532288	0.62
144.8392944	0.38
147.2357788	0.87
148.9725342	1.06
151.2190857	0.83
153.1524353	2.27
154.9210663	1.66
156.9804382	0.73
159.1735535	0.19
161.2045898	0.12
163.1481628	1.39
165.1809082	1.11
167.0823822	1.03
169.0827789	1.43
171.197998	0.78
173.2541199	0.40
175.2332153	0.17
177.028595	1.13
179.3094177	0.34
181.2003021	0.26
182.9221802	2.50
187.1804199	0.68
189.1130981	0.69
191.5358276	0.66
192.1919098	0.19
193.2161255	0.73
195.2772217	0.39
197.1409912	6.44
199.1534424	0.92
200.927124	0.39
203.1507568	0.42
207.2019043	0.36
209.0810852	3.92
211.0860596	2.23
211.6999817	0.48
213.2666016	1.19
215.2416382	0.38
219.10672	4.13
219.737854	0.17
221.0967102	2.24
223.2139893	0.59
225.2153625	1.03
227.1604919	0.63
229.1236267	0.29
233.1638794	2.71
235.8364868	1.24
237.2582092	4.07
239.1100464	10.88
240.2955017	0.16
241.402771	0.82
243.2423706	2.86
246.4147949	0.63
250.0680542	0.82
251.322113	1.77
252.1557617	0.23
253.2433777	1.63
254.7466736	0.95
255.5692139	0.74
257.1832581	0.97
261.3714905	5.51
267.3924561	0.70
269.2568359	1.31
270.4143066	0.55
274.8971863	0.09
277.4624634	0.72
279.2385254	100.00
280.1604309	1.92
281.1788635	1.89
282.4067993	0.36
287.9788208	2.27
288.721283	1.44
297.2191772	0.25
END