#DEFINITION	Reference Metabolome for Brassica rapa Rapifera Group
#IDENTTFIER	RefMeta-Brassica rapa Rapifera Group.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Brassica rapa Rapifera Group
#CREATION	31-MAY-2024
#PUBLICATION	CropMetabolome: a comprehensive metabolome database for major crops cross eight categories
#JOURNAL	The Plant Journal
#AUTHORS	Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X.
#COMMENT	Reference metabolome for Brassica rapa Rapifera Group was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0855
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
95.00854492	3.39
96.80664825	1.42
103.008606	2.63
105.1287079	3.86
107.0011749	1.44
109.1025848	1.92
116.7017365	1.55
121.0668488	0.96
123.0125732	2.12
128.9685822	11.92
129.6988678	0.54
131.0788422	1.42
132.8379059	2.33
134.0601807	1.40
135.1459045	6.04
136.8282166	0.40
139.0900116	2.14
140.9627838	2.94
143.0901642	3.70
144.9169464	0.48
147.1256714	4.95
148.1876068	0.69
149.3993683	0.90
151.0175629	100.00
151.9700165	5.42
152.8415375	2.30
154.0605164	0.48
155.1037445	3.81
155.9486542	2.25
157.0968933	2.06
159.1208038	0.44
163.1120605	1.21
165.0348358	3.67
165.8369904	0.56
167.1015778	4.01
169.0874786	2.03
170.8778992	2.21
173.052536	1.19
175.1660919	3.06
177.1352386	2.64
179.0076141	2.81
182.115799	0.87
183.3859711	0.96
185.1335602	2.21
186.0362091	2.63
193.0398407	1.59
195.1746826	1.72
197.0649414	12.30
198.30513	2.23
205.7546844	0.49
207.2566681	5.55
207.9835205	1.92
209.1347809	2.02
210.3097992	2.16
211.1107178	5.83
212.032608	2.13
217.1861115	10.97
221.0506439	2.09
223.2276459	3.65
224.3296051	3.48
225.2480621	18.66
235.0530243	48.88
236.2545929	3.03
238.1565399	12.87
239.2586212	3.11
243.9763184	4.01
244.5904083	0.88
251.2841797	0.44
253.0943604	57.58
254.1380768	9.96
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.28
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
152.9425964	0.18
165.0411224	0.10
196.0889893	0.15
206.8228760	0.14
214.0477905	1.28
220.1182861	0.04
222.8629303	0.23
243.4662476	0.05
249.4612427	0.05
251.2402039	0.19
259.0636902	0.07
269.2087097	0.04
271.2685852	0.14
273.4747009	0.08
279.3560181	100.00
302.9824829	0.13
305.8854370	0.05
313.0663452	0.11
314.0216064	0.17
315.5422363	0.07
316.4593811	0.05
322.1394653	0.06
332.9322510	0.08
389.8792725	0.08
392.4511414	0.18
402.1358643	0.12
403.0030212	0.10
417.3148804	0.35
420.9562683	0.22
422.4237976	0.14
429.8007812	0.07
430.4365540	0.54
431.2847595	0.12
432.2060852	0.15
434.9170837	0.03
438.1580505	0.25
440.3045959	0.51
441.2676392	0.22
446.8846130	0.03
447.5158386	0.05
450.2742920	0.04
457.8557434	0.48
458.7901917	0.35
459.4627075	0.30
460.3471985	0.10
476.1111755	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	611.1981
Annotation	Durantoside III
Peak:m/z	Relative Intensity
179.0139771	0.32
180.0493011	0.34
181.0695648	0.03
186.2516174	0.10
192.9384308	0.19
195.0116272	2.20
206.1367798	0.10
208.0423279	1.91
210.1452942	0.17
211.0988464	0.33
221.0624542	0.05
223.0525208	19.34
225.1725769	5.56
237.0256348	0.04
260.2019958	0.11
265.1217957	0.76
284.1858215	0.19
285.0423279	0.08
286.2329102	0.12
293.2957764	0.11
295.1369019	0.06
300.1115723	0.04
301.3339844	0.45
302.1085205	0.03
321.8639526	0.04
323.1825256	0.11
327.3549805	0.09
331.1994019	0.07
333.3205566	0.08
354.0340576	0.22
388.1464233	0.04
388.9865723	0.12
393.2324829	0.07
394.1890259	0.20
401.2221680	3.87
403.2673340	4.98
415.4220581	0.18
429.7754517	0.20
431.1869507	0.60
443.1613770	0.19
446.8241577	0.06
449.1066895	100.00
450.0341797	0.05
467.1732788	0.10
471.1662598	0.06
477.0444336	0.06
478.0197144	0.08
486.2507324	0.09
489.0064697	0.11
491.1402588	1.43
502.8053589	0.10
514.6853638	0.26
521.1220703	0.54
528.4066162	0.11
536.3062744	0.10
544.9654541	0.07
551.0142822	1.92
551.8020630	0.21
565.0617676	0.43
565.7521973	0.10
567.0730591	0.07
575.0619507	0.20
576.0059204	0.25
581.1017456	0.08
591.1436768	0.10
593.0899658	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.278
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
140.0027161	0.03
153.1872559	0.04
167.2923889	0.02
193.1235657	0.03
196.0925751	1.45
206.8647766	0.02
214.1586456	0.85
261.3630981	0.18
269.2971497	0.02
279.3209534	100.00
284.2267761	0.07
303.0878906	0.02
309.8895874	0.03
340.1693115	0.03
353.5302124	0.09
359.0537415	0.03
365.1914978	0.04
374.2878418	0.05
375.5122681	0.04
385.9242249	0.04
392.6085510	0.03
399.4968872	0.05
405.3736877	0.07
415.2127380	0.19
417.7695312	0.02
424.1417847	0.15
429.8139343	0.12
431.4064636	0.15
432.2601013	0.18
433.1791077	0.02
439.2524109	0.06
440.2259521	0.32
441.5958252	0.03
448.1179199	0.13
452.0953979	0.02
457.8110352	0.43
459.2723389	0.08
472.2208557	0.02
475.6291809	0.08
476.4920349	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	205.0967
Annotation	Ethotoin
Peak:m/z	Relative Intensity
108.1355438	0.02
132.9507751	0.06
144.1757965	0.01
151.1582794	0.03
158.9111633	0.14
159.5240936	0.02
162.9534760	0.02
188.0005951	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	562.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
209.9775696	0.13
242.2758331	0.08
243.3562927	0.02
253.2009430	0.03
263.3025513	0.02
277.2938843	2.02
277.9248047	0.11
285.4085083	0.05
293.0682373	0.05
311.3869019	0.03
315.8776855	0.02
329.3895874	0.04
365.3275146	0.05
388.9992676	0.14
400.2059326	0.05
443.9195557	0.09
447.5175781	0.05
448.3926392	0.18
456.2332153	0.03
465.3324585	0.06
472.2755127	0.09
476.5101318	0.19
485.9302368	0.08
499.8928223	0.05
502.3333740	100.00
503.3466187	0.40
505.2051392	0.07
508.1511841	0.06
515.4521484	0.17
516.2172241	0.27
517.6575317	0.05
518.5089722	0.04
524.3300171	0.07
525.3972778	0.09
526.1338501	0.32
527.4360962	0.05
534.1178589	0.03
535.5462036	0.10
544.0453491	0.37
545.1314697	0.08
553.5351562	0.07
557.2909546	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	581.1873
Annotation	Gnetifolin K
Peak:m/z	Relative Intensity
178.1329193	0.47
193.1478271	6.49
194.9615173	1.20
209.9261475	0.25
213.0445709	0.79
225.2422485	0.37
265.928833	0.33
273.0071411	0.55
286.3364258	0.34
296.4452515	0.92
315.0375061	0.22
332.3100586	0.30
357.2731323	1.77
371.1830444	6.30
374.2907104	0.61
375.3406372	0.99
396.7333984	0.56
399.3068237	0.85
403.1079102	0.72
408.1600952	0.46
409.0872803	0.25
413.1375122	0.92
417.6159058	0.30
419.1295166	100.00
449.0428467	0.53
467.2254639	0.42
484.7732544	1.74
487.1907349	0.65
490.8356934	1.01
509.1922607	2.01
521.2368774	1.27
523.8328857	0.71
534.7562866	2.79
536.374939	0.44
543.1447144	0.39
544.0806274	0.80
544.7597046	0.39
545.536438	0.69
562.3495483	0.37
563.026062	1.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	535.182
Annotation	Phellavin
Peak:m/z	Relative Intensity
165.0102234	0.06
174.7165985	0.08
189.0670166	0.16
206.0639648	0.07
219.2711334	0.06
221.2401428	0.26
222.0368042	0.05
232.9905548	0.16
299.2054443	0.05
310.2921143	0.12
313.2423706	4.38
315.2045898	0.15
325.1956787	0.29
337.0640869	0.29
343.1478882	3.39
345.3813477	0.21
355.2925415	0.32
358.3115234	0.38
359.3784790	0.12
373.2318115	100.00
373.8654175	0.24
385.2190552	0.10
400.2594604	0.14
403.2167969	0.04
405.9587402	0.23
416.9311523	0.06
438.9702148	0.21
446.9808960	0.09
449.4197998	0.24
459.3430786	0.08
461.3062134	0.07
467.2391968	0.17
475.4504395	0.28
477.0568848	1.03
489.2609253	0.34
490.2260742	0.05
491.3159790	0.37
492.2178345	0.29
492.8180542	0.17
498.3931274	0.07
499.1698608	0.32
500.3391113	0.06
504.0366821	0.28
504.9948730	0.12
512.2937622	0.06
515.1817017	0.05
515.8269653	0.13
516.6968994	0.33
517.3121948	0.75
520.6757812	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	310.83
Annotation	Unknow
Peak:m/z	Relative Intensity
168.9288940	0.31
174.9196930	1.82
176.7641296	0.33
178.9235535	0.08
182.0536499	0.53
212.8225708	88.68
218.8591614	0.05
227.2056885	1.00
240.2361450	0.24
246.9338989	0.08
248.9330444	1.28
256.1484375	0.12
264.7562866	0.64
274.1508179	0.10
275.0541077	0.34
279.9127808	0.21
292.8339844	100.00
293.7218018	0.14
294.4700623	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	424.0727
Annotation	Gluconasturtiin
Peak:m/z	Relative Intensity
130.0404968	1.85
134.7868500	0.26
147.0234833	0.17
148.9488220	1.65
164.0871429	0.84
182.0145569	100.00
196.0416870	0.11
248.1601562	0.19
256.7691345	0.77
257.8523865	0.89
271.2204590	0.22
325.6125488	2.33
343.9555054	9.47
363.9101562	0.14
365.5390320	0.76
391.4762268	0.20
406.0150452	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	353.2683
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
104.9806061	1.78
106.9759674	0.93
109.1334229	0.37
116.944046	0.33
120.9565659	2.20
123.1324158	0.47
132.8519592	0.72
134.9291992	1.48
136.6966553	1.83
139.309494	0.65
144.9464874	0.23
148.9730225	2.98
151.1423645	0.58
153.0153198	2.64
155.0543518	1.07
157.0097656	1.33
159.1972351	0.83
161.1625671	3.60
163.0967865	4.03
166.9897766	0.69
173.197937	2.34
175.1075439	0.58
177.1271973	1.42
178.8892822	2.41
181.0674286	0.44
184.9840393	0.83
187.0740356	4.07
191.2375488	0.72
193.1970825	1.01
195.1076355	1.84
197.3809814	1.00
199.0900726	1.30
201.1311951	7.19
205.4608612	0.86
209.0439606	4.34
211.3830719	1.03
213.2732544	1.48
213.9254456	0.72
219.2172852	2.16
221.2358093	0.72
225.1086121	1.02
231.1965637	0.47
233.1636047	1.72
235.2681274	0.44
241.3526917	2.32
243.2190247	36.92
247.022583	0.75
250.0375061	0.90
251.3619385	3.44
253.1065369	2.70
259.162384	1.11
261.2529602	100.00
263.2287598	7.08
264.9387817	1.29
266.1569519	0.77
267.9769287	0.55
272.1859741	0.48
275.617218	1.88
279.2681885	8.58
282.8236694	2.39
290.7591553	1.04
293.2754211	1.83
294.2417297	2.41
295.3493347	1.53
297.3661194	2.12
299.3896179	1.76
305.4008179	1.93
307.437561	2.14
311.3022766	4.83
312.1245422	8.15
313.4015503	1.13
315.3268433	1.59
317.2407837	4.49
325.4162292	2.83
335.2640991	49.66
336.4002075	3.04
337.2331238	0.44
339.4794617	0.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	525.2335
Annotation	Taxumairol Y
Peak:m/z	Relative Intensity
282.3109741	0.05
319.4631348	0.10
345.2941284	0.37
346.4163818	0.31
349.3344727	0.07
363.2355957	100.00
364.3427124	43.06
365.3573608	0.07
390.4025879	0.32
405.2919312	4.03
406.4378662	2.59
410.1844482	0.13
430.0520020	0.25
435.1853638	0.12
436.2766113	0.09
447.2811279	0.44
448.3934326	0.39
452.6812134	0.08
453.3666992	0.06
454.1236572	0.05
455.3140869	0.08
458.1074219	0.10
465.4138794	0.75
466.3046875	0.51
469.3517456	0.07
472.3908081	0.05
480.0553589	0.14
481.9287720	0.16
482.9061279	0.15
490.2169800	1.06
496.0402832	0.13
499.0471802	0.20
506.9577026	0.11
507.6857300	0.75
508.3991089	0.84
509.6621704	0.50
536.6853638	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
110.8718185	0.57
127.0906525	0.48
156.9535522	0.74
159.9726868	0.20
170.7946167	0.73
179.8383179	0.47
185.2991638	0.33
187.158493	1.47
193.4257965	0.34
195.2683868	0.53
199.296875	1.80
201.0482788	0.34
212.9820557	2.00
215.0334473	1.24
223.3491821	0.29
227.1791687	1.35
229.2304993	0.50
231.4566956	0.53
241.4240723	1.15
246.8292847	0.23
253.2272339	0.30
257.247467	1.19
259.1609192	1.59
263.0033569	0.21
269.3495483	1.48
271.1103516	1.47
271.7329102	1.42
281.4452515	0.65
285.4237061	1.55
287.1917725	0.81
293.137146	0.31
294.9306335	0.30
297.5261841	1.76
299.4447632	1.01
310.4839478	3.06
311.2419434	5.78
313.1424255	2.78
313.8652649	1.70
314.9683228	0.50
316.0694885	0.58
319.3930969	1.49
321.045166	3.17
321.8415527	2.45
323.263855	7.68
325.579834	1.69
327.2676392	0.69
339.2440186	100.00
340.2345581	2.23
341.2598267	17.38
342.0308533	0.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	132.1
Annotation	3-Aminocaproic acid
Peak:m/z	Relative Intensity
85.9106598	100.00
86.6809540	0.03
91.0006561	0.03
113.9754944	0.02
129.7066650	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2416
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
95.04290771	0.96
96.87929535	0.18
99.10606384	0.65
105.0678101	0.72
108.9793091	0.27
111.0045166	0.28
115.0137024	0.46
121.1764984	0.55
123.1434021	0.60
127.20784	0.82
132.9785004	0.97
135.0966492	0.56
137.0884094	1.30
138.8442383	0.71
143.1691589	0.53
149.0845642	0.58
150.8008728	0.60
151.5093689	0.27
153.0484619	1.13
153.9692535	0.17
154.9329834	0.31
157.0171814	0.35
159.1548309	0.17
160.2576294	0.28
164.8590088	0.71
166.8848419	0.14
169.0149536	1.95
176.5376587	0.48
177.322113	0.69
179.1863098	0.59
183.0675659	1.17
185.1151733	0.76
188.9043579	0.14
191.4176483	1.35
192.63414	0.42
195.3462372	0.42
197.1184692	6.92
201.2999878	0.95
202.0032959	0.16
203.1938782	1.39
206.1659546	0.37
207.171814	1.25
209.4427185	0.90
211.3371582	0.46
213.2277222	0.90
215.0415649	0.78
216.2319031	0.37
219.0031738	0.88
220.0968933	0.25
221.2123413	1.78
222.3009338	0.21
223.037384	0.68
225.2492065	2.89
227.2653198	0.31
229.1512451	0.30
233.1862488	0.33
236.425293	0.88
237.3583374	3.74
238.6087952	1.49
239.2476501	8.28
241.0338745	0.24
243.2391357	1.56
251.052124	4.10
252.0952759	0.45
253.0455933	1.58
254.0838623	0.25
255.2473145	2.71
256.2034302	0.35
261.149353	3.94
268.3050842	0.44
269.2514343	1.17
270.5733032	0.31
279.2239685	100.00
280.1306152	0.60
281.3285828	1.06
282.2739258	0.14
288.0862427	0.26
289.057312	0.24
297.1859436	0.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	467.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
159.9640045	1.04
161.3264465	0.15
177.8784027	1.05
182.7133789	0.16
235.1349030	1.45
248.3306274	0.33
308.2124634	0.15
320.1724548	2.60
321.0762329	15.47
338.0586853	100.00
338.7592163	0.18
371.2810364	0.10
385.3219604	0.14
387.2739868	0.49
392.0779724	9.44
392.6795349	0.15
403.2214661	0.36
420.2302551	0.19
421.3962097	0.13
431.1410522	2.95
432.9896545	0.20
435.1873169	0.39
449.1859131	3.12
450.3918152	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	399.121
Annotation	Repensolide
Peak:m/z	Relative Intensity
125.3478546	0.03
130.2388611	0.17
132.1521912	0.14
134.1976318	0.03
141.0792694	0.03
146.0153809	0.04
160.0052643	12.01
162.1392517	0.05
164.0925598	0.05
186.0299072	0.14
191.8992310	0.12
202.1249390	0.32
203.2402344	0.18
216.0738831	0.05
218.2883301	0.09
218.9533539	0.27
220.1845398	0.51
221.0233154	0.42
222.0217896	0.20
231.1422729	0.19
237.0213013	100.00
241.3385010	0.05
247.0905762	0.66
249.0032654	0.32
257.8907166	0.05
268.2050476	0.19
276.2242432	0.08
279.1537781	3.45
284.3905640	0.02
286.2001953	0.13
294.1102905	0.04
303.1931152	0.10
304.2215881	0.12
306.3287659	0.11
312.7251892	0.09
315.2277222	0.12
322.3113708	0.60
324.1212158	0.21
333.2700500	0.09
345.0537109	1.16
354.5213318	0.05
363.1447449	0.30
364.2171936	0.24
365.3486328	0.10
366.1232605	0.07
366.9686584	0.75
381.2497864	1.86
382.2018127	3.68
398.7793274	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	502.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
180.1399231	0.02
222.8522949	0.07
225.9952087	0.07
241.0695953	1.22
259.1212769	0.65
260.1348267	0.08
273.0367126	0.16
290.9927063	0.06
294.1435852	0.31
321.0588379	1.41
339.0352173	0.21
339.9994202	0.10
357.1979675	0.04
404.1646729	0.20
422.1116638	100.00
434.2655945	0.12
438.4456482	0.03
456.2179871	0.12
473.3884583	0.05
483.1358948	0.11
484.1051331	0.10
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
121.7726746	9.00
139.1333313	11.29
149.0211182	100.00
167.050293	8.48
231.1427307	7.97
260.6947021	26.34
261.6099548	35.77
277.4839478	12.16
279.8521423	40.05
373.7419128	14.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	501.92
Annotation	Unknow
Peak:m/z	Relative Intensity
155.0210571	0.02
158.9298553	3.24
159.9575500	0.46
172.1490173	0.03
199.0500793	0.54
200.0655212	0.19
217.0688782	0.16
218.0432129	0.01
226.9547119	0.02
229.0277405	0.92
229.9725342	0.05
246.2227936	0.01
272.9704590	51.81
274.0218201	11.68
275.0945129	0.02
385.1113586	0.14
386.9726257	100.00
387.9467468	34.14
389.3782959	0.04
412.0988770	0.02
426.9349060	0.04
428.0657654	0.08
455.0470886	0.03
457.1581726	0.04
469.8669739	0.02
474.1695251	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	152.04
Annotation	S-Methyl-L-cysteine sulfoxide
Peak:m/z	Relative Intensity
59.4738541	0.12
69.5815659	0.49
87.8604126	100.00
106.0151825	0.21
134.3166809	0.07
134.9880676	0.06
275.1218567	0.06
284.0493774	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	383.1264
Annotation	Securamine D
Peak:m/z	Relative Intensity
131.8889313	0.16
145.1295471	0.08
160.0868530	1.90
166.0556641	0.07
167.0206604	0.10
170.8880310	0.12
185.2772675	0.56
186.1755981	0.19
187.1568604	0.09
192.2939453	0.16
198.3266602	0.06
203.9222870	9.27
204.8913116	0.22
208.0787354	0.05
216.0396729	0.09
219.0951080	0.52
220.9546661	100.00
221.5837555	0.18
222.7966156	0.06
229.2041931	0.14
231.1205444	0.46
238.0621033	0.10
246.0235596	0.19
252.1506958	0.09
257.2472229	0.07
263.0199890	1.27
263.9316711	0.12
273.0746155	0.28
283.2413330	0.08
300.1333008	0.05
310.0916748	0.08
312.1242676	0.08
314.0616455	0.05
321.2694397	0.08
325.3195190	0.16
325.9692993	0.05
329.3148499	0.42
330.2128906	0.11
332.3191528	0.08
337.1520386	0.06
339.0439453	0.08
341.9880066	0.34
344.0404663	0.11
347.1299744	0.40
348.2226562	0.12
365.2233887	2.13
366.1342468	0.42
368.3054504	0.07
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
149.0207825	100.00
166.7395935	20.54
260.8213196	6.50
261.7727966	23.21
278.802002	60.30
279.9698792	4.96
291.2831116	5.47
347.7694397	11.49
350.958252	16.79
383.0718384	57.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	763.214
Annotation	Unknow
Peak:m/z	Relative Intensity
223.2061005	0.09
245.2032928	0.12
263.3372498	0.09
289.2516785	0.03
304.4199219	0.03
305.3240662	0.03
307.2001343	2.56
308.1136475	0.36
312.2654114	0.05
317.9417114	0.05
319.2939758	0.06
321.2958374	0.09
325.1897278	2.18
326.1472168	0.30
335.2487183	0.01
348.8155518	0.07
355.1951294	0.03
367.3707886	0.22
368.0877686	0.08
378.2979126	0.02
407.8898926	0.11
421.1063232	0.17
421.9702148	0.10
439.2272949	1.86
440.1696167	0.97
449.7549438	0.03
450.6279297	0.09
457.3765869	0.11
463.0316772	0.02
466.1592407	0.04
467.2160034	0.05
469.3867798	0.08
475.2492676	0.04
476.1464844	0.04
481.4103394	0.32
482.3617554	0.16
491.3875732	0.05
493.3037720	1.17
494.2545776	0.49
499.2575073	2.39
500.4177246	0.23
509.4193726	0.14
511.2023315	0.89
512.4777222	0.43
523.3590698	0.01
527.3915405	0.15
529.3281250	0.18
530.5177612	0.02
533.1990967	0.05
535.1846313	0.54
536.3659058	0.20
541.3338623	0.12
542.2111206	0.13
551.3414917	0.01
553.2558594	10.61
554.3024292	3.54
571.2848511	17.97
572.3650513	5.24
583.3651123	0.05
589.1865845	1.34
590.2716675	0.27
595.2096558	0.16
596.1368408	0.08
601.2276001	0.13
607.0496826	0.02
613.2597656	1.57
614.3892212	0.75
625.3026733	1.49
626.2183228	0.78
629.5234985	0.02
631.2747192	39.91
632.2593994	9.34
633.0032349	0.02
635.3022461	0.07
643.2406006	2.38
644.4340210	1.14
655.1194458	0.02
661.3642578	1.05
662.4199219	0.42
663.5326538	0.06
667.2499390	0.21
668.3569946	0.09
673.2998657	1.47
674.3477173	0.62
685.2593384	33.73
686.3286743	13.61
703.2849121	100.00
704.2785645	37.03
704.8925781	0.16
715.0851440	0.13
721.3240967	4.10
722.2916870	1.43
723.1934204	0.02
727.1736450	0.08
728.4194946	0.10
745.4463501	0.26
746.2927856	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1042.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
306.1262817	0.30
319.1717529	0.63
337.2083740	0.81
342.1495361	2.00
343.3122253	0.53
357.2961731	0.55
372.0166931	1.02
385.4284973	0.85
391.3814697	0.84
396.2486572	0.20
424.0129089	0.28
427.2962036	0.50
428.0034790	0.55
434.2904053	0.26
443.3167419	0.66
446.1790771	0.23
454.5983276	0.53
473.1984558	1.53
474.4054565	0.88
479.0510864	1.10
482.5130615	0.66
490.3303833	1.67
497.4044495	0.13
504.8978577	0.44
509.4817200	0.68
517.5496826	0.62
520.2094727	0.93
525.6102905	0.18
527.3453369	0.18
536.3651123	0.16
538.6036377	0.72
556.6125488	1.41
562.1360474	0.37
565.3786621	0.18
566.5069580	0.34
569.0826416	0.81
572.1668091	0.51
575.9641113	0.38
582.9714355	0.55
584.6551514	0.45
593.6255493	1.46
599.4071045	0.64
600.5312500	0.69
601.6367188	0.83
602.6972046	0.48
603.4024048	0.14
611.4892578	0.70
616.7876587	0.25
620.5114746	0.20
622.0504150	0.23
626.3532715	0.79
627.7055054	0.33
632.3575439	1.14
633.8754883	0.25
635.4959717	0.26
637.5804443	0.52
638.7489014	0.35
644.0730591	0.57
646.5375977	0.23
649.2774048	0.79
650.4766846	0.26
651.4892578	1.35
653.5208740	0.37
655.3370361	1.09
656.3585205	0.20
657.4525757	0.51
658.0911865	0.47
664.3373413	0.90
665.4149780	1.50
666.5539551	1.10
673.0855713	2.79
674.3716431	0.33
680.7459717	0.42
681.8662109	0.38
683.5209961	0.21
684.5538940	0.40
690.7309570	9.07
691.4886475	1.53
697.5355225	0.36
699.6190186	0.31
701.4653320	0.54
709.5402832	1.22
715.4801025	0.92
717.4564819	0.62
722.9625244	1.58
725.7161255	4.82
727.3781128	1.19
731.2418213	5.16
732.1137085	1.61
735.0139160	0.60
743.6062622	0.21
750.6929932	1.20
755.9342041	1.80
760.8907471	0.41
763.3836670	0.50
765.7905884	0.64
767.7198486	0.40
777.2384033	2.52
778.5157471	2.20
780.7120361	0.25
783.4448242	0.29
784.5107422	0.40
785.3639526	0.60
789.4692383	0.26
790.6153564	0.34
794.2962646	1.65
797.2098389	0.65
798.7828369	1.98
800.7269287	0.96
807.2427979	0.18
813.5124512	0.95
814.5063477	1.42
815.2410889	0.69
815.8889160	2.10
816.9049072	1.91
822.7084961	0.21
825.4055176	24.32
826.1202393	5.32
827.1893311	2.50
842.8931885	0.89
846.9790039	1.87
852.6390381	2.05
853.3968506	1.03
861.7609863	0.55
864.5046387	6.38
865.4967041	2.98
866.5146484	5.25
871.3326416	0.27
872.7789307	1.25
873.6525879	0.81
874.8282471	15.78
875.7236328	1.54
877.3538818	0.95
878.5028076	1.37
881.8406982	1.62
884.2900391	0.53
888.4274902	2.23
891.7399902	1.20
892.6541748	5.57
893.5510254	3.83
894.1984863	0.78
894.8927002	0.61
897.3935547	0.96
898.1647949	0.87
901.7504883	4.27
902.8861084	0.84
907.8656006	1.60
909.0222168	0.61
913.7159424	2.53
916.6488037	0.67
919.2921143	6.04
920.5612793	0.30
922.5917969	0.31
925.6716309	0.57
930.2122803	0.72
935.0087891	1.67
936.0257568	0.87
940.0466309	1.51
943.8536377	2.99
944.7369385	2.90
952.5396729	1.97
953.3023682	1.06
956.2307129	2.68
959.7175293	1.61
962.4075928	3.44
964.6314697	0.41
967.9046631	0.23
972.4847412	0.59
973.8570557	0.55
976.3154297	0.41
988.7320557	0.39
993.5471191	8.99
994.5003662	5.74
995.5621338	4.07
997.4195557	0.33
1000.2932130	1.18
1001.7423100	1.31
1003.3616940	8.37
1005.4606930	1.19
1007.4649660	0.45
1008.2844240	0.60
1015.3496090	0.54
1022.2877200	5.79
1023.5131840	1.44
1027.5825200	0.69
1028.5279540	5.64
1031.0236820	5.97
1051.7009280	1.56
1052.3590090	0.24
1055.9836430	0.43
1059.8974610	0.57
1067.6754150	1.50
1068.4670410	0.23
1071.6434330	0.23
1075.2775880	0.50
1078.2523190	0.52
1080.7303470	0.80
1082.6112060	0.79
1084.7777100	0.47
1087.6654050	0.42
1090.8474120	1.45
1094.1636960	0.26
1098.2124020	0.91
1104.3869630	0.41
1106.0932620	1.78
1107.1375730	7.39
1107.7717290	3.20
1122.3961180	11.12
1123.4702150	1.70
1124.6662600	0.93
1125.8048100	0.16
1126.4509280	0.44
1131.9440920	4.09
1132.6629640	5.83
1133.2882080	0.49
1136.4313960	1.03
1141.5493160	0.41
1148.2301030	0.92
1154.5970460	0.91
1157.0532230	10.09
1157.9495850	4.14
1159.1542970	0.18
1160.6507570	1.29
1161.5330810	0.45
1162.7872310	0.39
1166.2768550	0.87
1167.4229740	0.56
1175.0808110	0.83
1176.4987790	2.72
1183.3779300	1.28
1184.7149660	0.84
1186.0141600	0.39
1196.7648930	1.16
1198.2973630	0.57
1200.0526120	0.28
1206.3908690	1.73
1207.4051510	1.82
1214.5709230	0.43
1219.7807620	4.57
1220.9766850	1.35
1222.1138920	0.57
1223.5526120	3.46
1224.7346190	1.99
1225.6949460	0.88
1226.7250980	0.99
1231.5408940	1.43
1234.5568850	0.52
1237.0280760	2.44
1237.6663820	0.21
1239.5484620	0.87
1240.8354490	0.66
1245.7620850	1.05
1247.0798340	0.37
1249.6909180	1.33
1250.8217770	2.07
1254.9479980	4.62
1255.8049320	0.55
1257.5416260	0.53
1258.8350830	1.47
1259.5185550	0.45
1263.5926510	14.99
1264.3303220	7.63
1265.2890620	0.19
1267.3034670	0.76
1273.9840090	0.82
1279.6103520	0.58
1280.8145750	0.50
1286.2739260	0.66
1288.4970700	0.82
1305.4112550	0.74
1306.7034910	1.69
1307.7995610	0.91
1310.3450930	1.86
1312.4412840	0.22
1314.6427000	0.82
1319.0739750	2.64
1320.2703860	2.17
1324.5594480	11.75
1325.7290040	7.90
1326.6501460	3.44
1327.6444090	3.67
1328.3914790	2.00
1343.9425050	0.39
1347.5648190	0.50
1349.6656490	0.31
1357.7629390	0.56
1360.8778080	0.26
1363.6302490	0.21
1368.8292240	2.82
1370.0203860	1.40
1372.0933840	2.04
1378.6789550	11.12
1379.6867680	9.12
1380.6795650	2.48
1397.9527590	0.30
1406.5577390	0.83
1417.0281980	0.74
1418.0059810	0.76
1418.6580810	0.29
1423.8796390	4.91
1425.0511470	4.73
1426.8398440	0.18
1431.5379640	0.55
1434.4263920	0.85
1449.7125240	1.61
1453.2388920	0.55
1459.2309570	2.87
1460.5906980	2.51
1461.7797850	0.18
1462.7320560	0.98
1464.0368650	0.31
1467.6424560	2.42
1468.7249760	2.13
1471.6082760	0.67
1474.8378910	1.21
1476.6236570	17.38
1477.6187740	28.21
1478.7762450	15.16
1479.7646480	6.79
1480.7620850	2.45
1485.7364500	1.68
1487.8624270	0.28
1499.5482180	0.21
1551.9926760	2.11
1568.6835940	0.32
1574.3460690	0.69
1577.5216060	0.54
1580.8173830	0.71
1605.7355960	1.05
1622.4603270	0.37
1632.4105220	0.16
1648.8851320	12.41
1649.9708250	8.33
1651.0642090	5.11
1652.1198730	1.86
1653.1280520	0.29
1661.4421390	0.76
1704.4906010	0.23
1724.9273680	0.25
1726.4206540	1.73
1730.1472170	0.60
1731.1014400	0.16
1742.3469240	0.28
1747.7941890	1.56
1748.9440920	0.21
1776.0035400	0.99
1778.9484860	0.38
1783.2840580	0.14
1798.5920410	0.16
1799.5201420	0.13
1824.1116940	0.15
1824.7926030	0.14
1829.4295650	0.45
1835.1597900	2.25
1839.1021730	0.54
1842.3226320	0.70
1856.2425540	1.30
1857.8140870	0.42
1866.9440920	0.39
1876.0090330	43.36
1878.7907710	0.51
1880.9875490	0.75
1882.4737550	22.59
1883.1585690	0.98
1886.6121830	1.56
1890.4719240	2.72
1894.8472900	1.53
1895.6926270	0.25
1903.5946040	0.52
1907.6091310	0.58
1911.8966060	1.27
1915.7374270	0.42
1922.9874270	0.65
1928.8311770	0.51
1930.5695800	4.29
1933.9788820	1.38
1939.2663570	5.23
1940.3156740	0.30
1944.6892090	4.37
1947.5787350	59.51
1951.5706790	20.56
1952.6546630	1.81
1954.4099120	1.25
1956.6632080	0.18
1957.9774170	4.19
1959.1536870	2.81
1960.5838620	12.25
1961.9429930	4.06
1962.8264160	3.04
1965.3072510	2.73
1967.9146730	0.64
1968.8970950	1.26
1969.9180910	4.52
1970.5906980	1.01
1975.1486820	16.02
1977.6427000	0.40
1980.2391360	0.23
1981.2049560	7.10
1982.0379640	12.19
1983.5777590	1.19
1984.5422360	4.33
1985.4681400	4.33
1986.5177000	7.58
1987.4099120	0.28
1988.5770260	4.77
1989.4201660	45.76
1991.0474850	0.77
1994.8536380	0.23
1997.0601810	0.78
1997.9151610	100.00
1999.5281980	1.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	298.15
Annotation	Unknow
Peak:m/z	Relative Intensity
117.9881439	8.06
136.0082703	0.74
143.1369934	0.41
144.9049072	4.41
157.7325287	0.15
162.8359375	4.52
164.1240082	0.17
165.2113037	0.36
166.1215515	0.80
176.0594788	0.23
177.9771729	0.89
180.9586182	6.53
198.0782013	0.39
198.9654541	3.48
202.0664673	1.38
207.9809875	30.00
209.4361877	0.22
212.7150269	0.18
215.9076233	0.41
233.9874878	6.61
234.9603882	2.70
238.0659790	0.34
239.1941833	0.15
243.1437378	0.13
251.9106750	4.27
252.8011780	0.48
253.5715942	0.90
255.1598511	0.47
256.3988647	0.20
262.1171265	0.82
269.1774902	0.10
270.9221191	1.26
274.0610657	0.34
277.8766479	0.12
280.0043945	32.77
280.7890625	1.45
284.0343628	0.17
288.9653320	100.00
290.1420288	0.37
291.3021851	0.15
307.0776672	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.939
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0310059	0.51
159.9960327	0.10
199.0600739	0.04
213.0531311	0.01
228.9197693	0.07
229.9667664	0.11
246.1719360	0.03
246.9974060	0.02
257.1405945	0.03
258.1150513	0.03
271.0798340	0.03
273.0047302	100.00
273.9527283	28.43
302.2183838	0.01
313.1496582	0.02
314.1914673	0.02
315.2274475	0.02
316.1254883	0.01
320.1634521	0.01
341.1127319	0.08
341.7457581	0.03
342.8267212	0.02
343.9620056	0.17
353.5370789	0.01
369.0510864	0.02
370.3273621	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	297.15
Annotation	Unknow
Peak:m/z	Relative Intensity
94.8585205	0.08
96.9980087	0.05
99.0367126	0.10
120.9414673	0.16
131.0399475	0.10
139.2366028	0.06
141.1218567	0.04
151.1806030	0.04
151.8699341	0.09
155.9166565	0.04
167.0959167	0.05
170.0132904	0.94
171.2342529	0.06
183.0785675	24.83
184.0486450	2.44
185.1145172	0.30
187.2383118	0.07
197.1395569	0.39
198.1011658	3.03
199.0852661	0.62
203.2645569	0.11
211.0177612	0.45
211.8833313	0.16
221.1381226	0.07
225.2255859	2.80
225.9455872	0.27
229.3354187	0.13
233.2193909	1.15
234.3121033	0.37
235.3778076	0.16
236.2016602	0.13
237.3006897	0.53
239.1650391	1.18
240.1282043	0.04
249.5848083	0.06
250.2561035	0.08
251.4255371	2.28
253.2561340	100.00
254.3992310	0.25
255.2758789	0.06
259.1078491	0.10
261.1203613	0.33
261.9735718	1.37
267.5270386	0.22
268.2622070	0.48
269.2123108	0.49
270.0792847	0.07
276.1263733	0.15
279.2373657	34.81
281.3787537	0.20
297.2731628	4.53
298.3686523	0.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.278
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
143.8171387	0.43
154.0204163	0.11
190.927948	0.14
197.1190796	0.33
200.9897156	0.38
214.054306	1.35
220.9411926	0.19
222.1266022	0.09
251.3414612	0.63
273.1673279	0.71
279.2374573	100.00
281.2275085	0.13
295.3502197	0.15
306.4483643	0.24
314.4629211	0.71
320.3984375	0.40
330.0984192	0.15
332.0786133	0.31
347.9398804	0.15
349.3414307	0.32
370.1716919	0.16
373.402771	0.11
379.7763977	0.24
385.2928162	0.14
405.4011536	0.17
406.1393738	0.42
408.4683533	0.11
411.2971191	0.27
412.2813721	0.65
413.2453308	0.32
415.1286011	0.40
430.1593933	0.94
432.0549622	1.83
433.3660889	0.54
438.1349792	0.54
439.5422363	0.21
440.3216248	1.68
441.2363586	0.13
443.4262085	0.34
445.646637	0.20
456.5749207	0.57
457.8511658	4.55
458.9433899	1.47
459.6975403	0.34
461.7268677	0.74
476.1020813	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	330.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
128.0447083	0.29
130.0539093	0.68
131.0056915	0.07
132.9911194	0.80
142.9378510	0.32
146.0162354	3.48
146.9545593	0.11
149.9310455	100.00
152.1456604	0.04
178.9477844	0.78
187.0196533	0.13
200.2566833	0.17
231.9168701	0.07
238.0566101	0.08
285.2587280	0.15
285.9786377	0.21
301.3298340	0.07
312.3452454	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2875
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
126.9478607	1.96
133.7457275	10.13
143.0350494	2.66
147.0645752	3.37
159.1192017	5.24
169.134613	2.79
170.9281006	5.22
172.9918518	5.10
176.738739	3.01
179.0022583	3.53
181.1392517	2.13
190.9473572	11.05
196.8158569	2.31
209.134491	6.62
214.3335114	4.23
223.258667	2.50
227.0370789	6.69
237.0457458	4.57
245.1443481	2.34
257.1786194	4.71
263.1749878	5.91
264.1444092	2.31
276.0473022	3.00
281.2781372	8.19
281.9698486	5.09
291.1726685	4.41
299.3511658	3.01
311.4841614	2.90
313.3636475	2.97
332.2730408	9.78
334.1640015	2.49
339.2662354	7.56
341.1464233	5.06
343.3179932	8.64
356.9421387	3.15
361.4775696	2.17
363.3827209	5.14
367.4606628	5.84
368.3216248	2.17
369.9255676	1.44
372.3594055	2.45
377.274292	7.00
380.4155579	8.47
381.1194458	14.76
385.3095093	8.28
390.1968689	12.05
391.1069946	18.22
392.0086975	3.54
395.3574219	6.62
398.4374084	21.04
407.6158142	33.97
408.265625	100.00
409.1875916	20.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2501
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.0435028	1.80
109.0228043	0.52
109.7008667	0.62
113.0575562	0.43
115.1174545	1.26
117.0287247	0.90
121.0493011	0.53
123.0925751	0.21
131.2413788	2.05
132.9973145	1.09
135.201416	1.71
138.9537048	0.94
142.9887543	8.12
147.0823364	0.61
148.8822327	1.59
151.3692017	0.77
153.0373535	0.68
154.9381104	0.71
156.8054504	1.85
158.7607727	0.66
159.3699646	0.15
161.1255646	1.42
162.9358215	1.72
164.5894318	0.35
165.1899719	0.77
168.8806458	4.18
171.2453918	0.81
172.960968	4.12
175.0484467	0.93
179.0560303	2.14
183.0813599	1.12
186.3812866	0.54
187.1656494	2.49
189.0749664	0.33
190.9897156	0.52
192.9364014	0.36
194.3607483	0.27
195.0036926	0.77
195.7826538	0.54
199.0710449	0.25
200.8726044	0.90
205.2958984	1.19
209.1481934	0.41
211.0515442	4.03
212.8421021	0.23
217.1166687	0.40
219.3388977	0.87
220.7413635	1.57
223.2060547	2.07
225.0185852	1.11
227.2769165	0.48
228.9806824	0.91
230.1112366	1.04
231.204895	0.71
233.0307617	1.33
235.2247925	0.51
241.2072449	0.52
243.0553894	0.31
245.037323	0.75
247.197876	3.71
251.188385	2.10
252.0181274	0.56
253.2767944	2.09
255.0927429	1.50
256.8867188	1.41
258.9541931	0.27
263.078125	0.49
264.2561646	0.51
265.3737793	0.21
269.4053955	0.29
271.0967712	1.28
272.6815186	1.15
273.9338074	0.23
277.4137878	0.59
278.1392822	0.41
279.9570618	0.52
281.0708008	1.47
283.2249451	0.50
285.5185547	1.13
287.5353394	0.71
290.5637817	0.27
295.2518616	3.49
296.381897	1.62
297.258606	0.48
299.4974976	3.07
305.1913452	4.51
321.4550171	0.27
323.2479248	100.00
323.8682556	0.90
324.8500671	0.54
326.5029602	0.72
354.9372253	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	470.2197
Annotation	Latrunculol B
Peak:m/z	Relative Intensity
233.0897064	0.13
235.092865	0.09
264.3246155	0.08
266.1893311	0.04
289.0172119	0.06
305.1282349	0.24
308.3483887	0.14
324.108429	0.45
329.1270142	0.07
331.3023071	0.05
335.8629761	0.14
340.0430298	0.92
341.1212463	1.93
358.5611572	0.10
365.184082	0.04
366.3835144	0.16
382.3992615	0.15
387.7243347	0.06
406.2120056	1.14
420.9894104	0.10
423.7773132	0.31
426.4495544	0.08
434.1647034	4.77
434.8702393	0.25
442.2566833	0.09
444.8966675	0.22
452.2149048	100.00
453.1620789	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	151.04
Annotation	Unknow
Peak:m/z	Relative Intensity
109.8567200	100.00
127.8173676	8.46
130.3717957	2.81
133.0650635	0.05
139.2231140	2.43
145.8584137	0.02
150.8599548	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	445.06
Annotation	Unknow
Peak:m/z	Relative Intensity
186.0861816	0.88
230.4082184	0.15
232.9242096	0.20
235.3205261	0.54
244.0603027	0.14
252.7547607	0.54
264.0628967	0.78
282.9507751	1.26
303.5624390	0.44
307.0899048	2.00
311.3879395	0.33
319.0863647	1.17
324.2394409	2.76
325.1057434	10.14
334.9070740	0.50
336.4078369	4.08
337.0656128	24.39
338.8365173	0.21
339.7109985	1.42
351.0413208	0.39
354.0632019	4.78
355.0426636	25.84
364.9195862	0.16
365.7664795	0.14
366.9645691	5.21
377.4775085	0.40
380.3020935	0.56
384.4288025	0.80
385.0289612	16.93
398.9551392	2.72
406.8254700	0.20
408.2132568	3.71
409.1028137	30.49
425.6575623	1.64
427.0583496	100.00
428.1758423	0.25
429.3411560	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
137.0613708	1.30
163.0722046	0.75
171.3033752	4.42
173.0481262	0.42
177.1790466	0.56
201.1699219	1.06
215.432373	0.63
221.2059326	0.53
227.2713928	0.52
229.1738892	3.81
231.0703735	1.45
238.12677	0.39
243.5449219	0.71
245.1612549	1.03
253.0752869	1.01
257.3729553	0.99
259.2303467	5.38
261.1186523	1.12
263.5335999	1.58
269.2098389	1.76
270.6392822	0.53
271.3238831	1.81
272.8067627	0.84
273.4436035	1.14
277.3066101	0.32
285.0914917	3.48
295.2641602	2.89
297.0877075	5.61
299.1704102	7.61
311.0606384	11.64
311.8986206	0.60
313.3424683	6.03
315.2082825	1.72
318.7602539	0.57
321.2018738	3.38
322.0950928	1.86
323.2750854	5.89
325.1115723	5.97
326.4081421	0.72
327.3148193	0.46
329.2246704	1.84
337.1168518	0.68
339.2476807	100.00
340.6022339	6.01
341.2797852	12.47
348.0950012	0.75
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
98.99910736	0.20
106.9180374	0.84
109.050354	0.65
121.0210724	2.02
124.9291077	0.22
130.9756622	0.21
132.0093536	0.35
132.8589935	0.28
135.0869751	2.70
137.0395203	0.64
138.9713898	0.24
143.0497131	0.38
145.0899048	0.15
146.9999695	1.48
149.1245728	0.39
155.0348358	1.20
156.9083252	0.56
159.1088715	0.68
161.0750122	1.35
162.966095	0.23
164.9378052	0.35
167.0222778	0.39
169.0447388	0.08
171.0660706	1.14
172.9195557	0.79
175.1377869	0.32
177.2275085	1.32
179.1613464	0.47
183.0286407	0.61
187.0778656	0.99
189.0584106	0.82
191.0470886	0.27
192.9327393	0.38
193.8859863	0.14
197.2020264	0.08
199.2748718	1.19
201.1708374	0.47
203.2081604	0.81
205.0471497	0.82
207.1015778	0.20
213.2153015	0.41
215.044281	0.38
217.0993652	1.89
223.3474426	0.40
225.0942688	0.32
229.8759766	0.41
231.1402893	1.28
239.0048523	0.79
245.1979065	3.12
247.3122559	4.11
250.0848999	0.15
251.2612305	0.53
253.1741333	0.61
254.366333	0.45
256.0028076	0.25
257.2976379	0.19
259.1748352	1.11
263.0886536	1.00
267.3457947	0.16
269.598999	0.33
271.4830933	0.34
273.5075073	0.24
277.3186951	0.16
279.404541	0.22
280.241333	0.15
281.2315369	0.18
284.2843628	0.51
287.5480957	0.35
291.2716675	0.10
295.2494507	1.40
299.2735901	2.50
299.9058838	0.28
303.5042725	0.86
305.1752319	3.85
307.3438416	0.84
309.3915405	0.26
310.0710449	0.39
313.2294006	0.18
314.3705139	0.31
318.0137329	0.27
323.2432251	100.00
324.3283997	0.14
325.200592	0.40
325.9617004	0.54
341.1716614	0.85
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.13
Annotation	Thr-Tyr
Peak:m/z	Relative Intensity
89.00905609	5.18
92.24188995	8.52
106.9146042	2.14
110.8938751	9.57
123.0018158	4.23
135.0211487	1.95
136.9777222	7.97
149.0583191	5.40
165.176239	1.59
180.1697235	4.44
181.1658325	2.32
189.2669373	5.04
206.318512	2.86
209.2976074	2.49
210.1053467	3.38
211.2044678	4.42
213.1899414	5.86
224.7281494	3.69
227.1774292	2.81
237.0583801	5.20
237.7749634	3.40
240.4726562	1.58
241.8786621	7.13
247.1391907	9.72
254.2760925	3.40
265.1104431	100.00
266.072876	10.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	358.83
Annotation	Unknow
Peak:m/z	Relative Intensity
123.0840530	0.13
190.7201233	0.16
197.4343567	0.14
206.9083405	1.88
216.0650940	0.09
223.2500916	0.41
242.1842041	0.08
274.7939453	100.00
290.8000793	17.56
313.0273132	0.43
331.3220520	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	272.88
Annotation	Unknow
Peak:m/z	Relative Intensity
143.8830261	0.02
157.0746765	0.03
158.7783508	0.08
168.8896027	0.02
171.0109558	0.12
172.9509430	0.04
180.2168274	0.04
183.1495056	0.05
184.5753479	0.04
186.9214325	0.02
188.8868713	0.04
197.0217285	0.09
199.1501770	0.02
200.8853149	0.45
202.9073792	0.06
213.0957336	0.07
214.9573669	0.15
216.7499390	0.10
218.9700928	0.16
226.0480652	0.02
226.9165344	0.17
228.9523926	100.00
230.9601135	0.12
232.9606018	0.11
237.0249634	0.07
239.9184570	0.01
241.4067993	0.03
242.9547119	0.96
244.9040527	0.21
250.9696045	0.09
254.6339722	0.19
255.6860962	0.04
257.7709656	0.08
258.9837036	0.02
260.9415894	0.07
272.8666382	0.03
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
206.9224548	0.36
207.9206390	0.04
208.8147278	0.37
290.8497925	5.04
292.7923584	8.06
316.4688110	0.04
338.9799194	0.03
345.1023560	0.03
351.2726440	0.04
358.1151123	0.04
369.1007690	0.12
370.8302612	0.90
374.6220093	1.86
375.5822754	0.51
376.6566772	6.68
377.4265137	0.20
380.8807373	0.05
382.5805664	0.08
386.0838623	0.11
391.8296509	0.04
393.1772461	0.22
401.1078491	0.15
404.6870728	0.12
406.1563721	0.06
407.0086060	0.11
408.0542603	0.15
408.9129028	0.14
414.9205322	0.07
422.6273193	0.11
424.9627686	0.25
426.0625000	0.06
437.7149048	0.04
438.8330078	0.52
440.1384888	0.14
446.7686157	0.86
451.7584839	0.04
452.8233032	0.06
454.7518921	0.60
458.6089478	21.16
460.0440674	38.02
460.6534424	100.00
461.2606812	0.48
465.2762451	0.04
467.3855591	0.09
468.4241333	0.15
476.8117065	0.17
480.1029663	0.25
480.8289795	0.62
482.6896362	0.24
483.7620239	0.67
484.6854248	1.78
488.7847290	0.17
497.7056274	0.98
498.8563843	2.06
501.7009888	0.11
514.4483643	0.25
521.3303223	0.49
526.7037964	4.42
527.5218506	0.04
544.5238037	0.04
547.8029175	0.07
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
94.88711548	0.60
97.12020874	1.26
110.9370728	0.94
117.1815948	1.01
123.1034546	2.38
125.0187378	1.76
129.8567963	0.74
135.1195984	2.14
139.0116577	1.70
153.043045	3.01
186.9692688	0.33
189.0016479	0.89
196.7363739	5.09
203.0519714	1.62
211.253418	0.82
213.175293	1.56
215.0267944	1.28
224.7830811	1.42
233.3778687	0.94
237.3762207	1.53
239.1211548	3.01
251.4191895	3.22
253.3796082	0.67
261.3780518	1.87
279.2252197	100.00
281.2567139	1.07
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
93.14808655	1.49
122.930542	1.28
129.0595398	1.08
137.0974426	1.18
139.1255493	0.96
143.0202026	0.96
150.878418	1.34
153.078949	0.79
154.4946442	1.93
155.2097168	0.79
157.0961761	1.41
163.2947693	1.08
169.0845947	3.02
177.1029816	2.07
187.4823608	2.90
194.9241028	2.91
197.1820068	4.19
201.1270752	0.65
204.979187	1.02
207.0455322	0.90
210.9609375	1.69
223.2371216	2.90
225.1732483	4.68
229.2233887	0.79
235.223053	0.56
236.4198608	1.98
241.3357544	1.66
247.3515015	1.58
249.1993103	2.24
251.237793	4.96
253.1503296	19.26
255.3623352	0.96
275.2121277	12.43
293.2072144	100.00
293.8751221	2.05
302.9180603	4.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.1032
Annotation	4-Methylthiobutyl-desulfoglucosinolate
Peak:m/z	Relative Intensity
96.8212738	0.09
97.8810120	0.08
99.3845444	0.34
102.8899994	0.24
114.0618286	2.78
119.0173187	0.23
127.9736099	0.33
131.9311676	7.24
132.8825531	0.10
146.9868317	1.93
162.0426025	4.51
162.9282837	0.12
177.0959167	0.08
179.9085541	100.00
180.5275116	0.26
191.2124634	0.07
192.3906250	0.16
198.9820557	0.33
239.1710815	0.08
253.2706299	0.12
257.8957825	0.20
261.8529663	0.13
276.3863525	0.13
307.2670288	0.12
308.1856079	0.10
309.0679932	0.92
322.8296814	0.06
324.1359558	4.10
325.0862732	0.29
336.0592651	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	386.0579
Annotation	3-Metyl-3-butenyl glucosinolate
Peak:m/z	Relative Intensity
119.0466461	1.20
124.1710434	0.77
128.0416260	1.78
128.9177704	3.73
138.7238007	2.31
142.8446655	0.63
144.0699768	7.91
145.0809937	1.23
146.9721375	1.00
161.1183319	1.01
161.9502563	0.96
163.0497437	11.16
177.0764008	0.63
189.9631500	2.45
193.0825653	4.41
195.0032654	6.82
198.9714050	0.38
208.0679779	10.26
223.1601868	1.92
223.9786072	1.35
227.0333557	8.20
241.0715027	4.19
257.0700073	0.52
258.9790955	100.00
275.0601196	39.86
306.1677551	10.78
306.9343262	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
109.1054611	0.80
119.3095856	0.38
121.1380615	1.19
123.1650543	0.72
124.811142	0.58
135.0859222	0.59
140.9524841	1.35
142.8865814	0.65
149.1937408	2.21
156.7028809	0.64
158.9516907	0.50
161.2395477	1.38
163.3029785	1.45
165.1048584	1.72
167.0679016	0.34
170.449585	1.11
175.1869812	1.19
177.0046387	0.75
183.0753479	1.63
189.181839	0.31
192.8660278	0.55
196.7621002	0.51
206.3746185	1.08
209.0722046	0.75
211.2055969	2.78
213.0357666	1.36
216.8492432	0.48
223.3366699	1.19
227.0079346	1.06
229.7781982	1.65
230.9641418	0.34
235.3638611	0.58
239.2871094	0.57
245.2613831	0.48
247.149231	9.99
251.5441284	0.47
254.052063	0.54
254.9901733	0.61
259.160675	0.47
275.737915	0.95
277.2721252	0.61
279.4092102	1.82
285.3370361	0.92
292.1318665	0.70
295.2330017	1.38
296.7588806	0.92
299.8477783	1.17
305.165863	3.43
313.3950195	0.44
321.3095703	1.49
323.2437744	100.00
323.8984375	2.01
324.5006409	0.98
326.2964172	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	662.73
Annotation	Unknow
Peak:m/z	Relative Intensity
258.8240356	2.37
274.7573853	2.62
290.7968140	2.04
358.7490845	3.72
374.9738770	0.74
426.5287476	24.15
442.1802368	0.83
442.8742676	7.85
494.6632080	28.26
510.6531372	100.00
526.5907593	21.94
578.6940308	66.22
594.7845459	7.88
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	671.54
Annotation	(3S,14R)-Petrocortyne G
Peak:m/z	Relative Intensity
195.0793152	1.11
245.9079437	2.23
247.3682404	0.90
265.3483582	1.95
324.2579346	1.37
374.8776855	2.14
401.5125732	9.11
417.3619995	2.42
419.2443237	9.34
421.5534668	1.19
463.5209351	1.09
464.6849365	1.28
474.9897461	1.87
483.8596802	3.00
498.1516113	1.57
499.6903076	1.19
504.4189453	2.91
511.5849609	5.68
551.2044678	2.70
559.6380615	1.58
573.4920044	2.34
597.4571533	1.28
602.3231812	1.41
604.6732178	1.57
605.5305786	3.08
624.868103	1.38
627.7531128	1.00
639.6860962	3.19
640.3684692	1.09
653.5203247	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
95.00828552	1.78
111.0962753	0.71
122.914856	1.47
124.2588959	0.80
139.2935791	3.82
140.8518982	0.71
148.6806641	0.86
151.0412292	1.92
152.8711548	5.67
154.8950195	1.36
157.1768341	1.57
167.2575226	1.41
168.7960968	1.45
173.2109222	1.15
183.0492859	2.50
193.0116272	0.60
196.8934174	12.04
206.9454041	4.41
211.1535339	2.74
213.0020142	1.17
214.8961487	2.73
219.2721558	1.11
221.4308777	2.28
223.2037354	4.20
225.228302	1.77
227.2225647	0.56
233.3643188	3.75
237.1315613	4.83
239.0912781	18.04
243.234375	1.12
251.4963989	5.20
252.9888916	0.96
255.1318359	3.23
257.0755615	2.33
261.2674561	2.68
278.5844116	8.10
279.2315979	100.00
280.4004822	2.14
281.2174988	1.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.18
Annotation	Tanzawaic acid E
Peak:m/z	Relative Intensity
101.0428467	0.29
113.0466537	0.33
156.9125977	0.77
167.1544495	0.49
169.0215759	1.28
187.3957062	0.22
193.106781	0.28
195.0305481	0.20
200.1321106	0.30
204.8848267	0.46
209.2145081	0.47
210.9233704	0.24
215.2104492	0.22
217.181427	0.92
227.2169189	0.65
244.9283447	1.51
246.2915344	0.16
247.1029663	0.33
248.5188904	1.61
252.2617798	0.20
253.27948	1.72
260.7207336	0.16
265.1072388	1.11
271.1764526	100.00
273.2162476	5.15
289.2976379	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2877
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
115.3791733	1.86
128.6524658	1.32
142.7609863	4.81
158.9246674	4.44
161.3196106	2.42
166.8504639	2.79
170.8233032	8.32
173.164032	4.61
177.1825867	8.50
187.9018707	5.53
195.050705	4.59
196.9635162	7.77
199.1432037	2.42
205.1869049	3.33
208.9133759	7.15
218.0001831	2.25
220.3062744	3.48
227.967865	2.78
229.9782867	1.50
240.0941467	2.24
262.0965271	2.40
262.97995	7.45
263.9049072	6.64
265.1766663	3.31
266.9641724	6.94
268.0900574	7.00
273.1391296	2.46
281.2399902	32.80
283.1594238	4.80
289.0242004	3.49
297.3509216	10.88
298.0617371	2.97
311.8377991	6.05
322.2020264	8.09
325.5551758	2.60
336.1440125	2.97
339.3043213	30.49
357.2486267	14.06
363.3126221	15.15
364.3329468	2.60
366.241394	3.43
372.0001526	3.70
374.5523987	6.56
376.917572	5.91
378.4787292	2.45
379.2402954	17.35
380.7709351	19.47
381.7624817	2.60
386.0469666	1.68
390.228302	9.05
392.1381226	2.41
398.2614746	5.72
399.0249939	7.54
406.4665527	4.80
407.3575439	13.25
408.2713928	100.00
409.29776	9.15
411.1027832	1.87
417.6990967	4.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	274.87
Annotation	gamma-Pentachlorocyclohexene
Peak:m/z	Relative Intensity
122.7935028	20.25
190.7997742	100.00
191.6054993	0.05
206.7698059	63.98
245.2347412	0.05
256.2317505	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2498
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.0286331	0.48
109.0109711	0.45
116.8324051	0.31
121.1514893	0.34
123.0007782	0.57
130.9918213	0.06
133.0517578	0.33
135.0763855	2.52
137.0053864	0.56
140.1741638	0.11
143.0451355	1.06
144.9775085	0.28
146.991333	1.79
149.1505737	1.57
151.1240234	0.50
153.1893005	0.15
155.1917114	0.14
157.1135559	0.72
158.9745178	0.26
161.0197296	1.28
163.0795441	0.79
164.8687897	0.30
167.0862732	0.36
168.9842224	1.20
171.0773315	0.26
173.0431671	1.51
175.0410156	1.44
177.1760101	0.54
181.4375305	0.19
183.0827942	0.74
184.9356384	0.26
186.1156616	0.16
187.0352325	0.42
189.0784454	0.89
191.0200806	0.68
196.9782715	0.07
201.1410217	0.33
202.7595215	0.65
203.4064026	0.37
205.4379272	0.35
209.1708984	0.22
211.0023804	1.14
213.1249084	0.31
215.1802673	0.21
217.0365906	1.45
221.3978882	0.13
222.768158	0.68
225.0585632	0.43
227.2812195	0.30
229.1446228	0.20
231.1143799	1.56
233.1401978	0.06
237.1746521	0.13
239.2319946	0.06
241.098877	0.06
243.0993652	0.20
245.1680298	2.19
247.1989746	4.22
248.9934387	0.22
253.3093262	0.23
255.3070679	0.27
257.0695496	0.34
259.4265137	0.21
260.9907227	0.05
263.2409058	0.23
265.4412537	0.12
267.27005	0.40
269.2782593	0.07
271.1486511	0.45
272.9899597	0.47
279.6134033	0.09
283.572937	0.24
285.1275024	0.42
287.001709	0.37
289.3765259	0.73
294.2705078	0.37
295.0957336	0.13
296.3930359	0.26
297.3677979	0.43
299.1670837	1.01
305.1907654	1.55
311.3453979	0.09
312.6575928	0.20
313.3423767	0.44
323.2351685	100.00
323.8773193	1.02
332.4784851	0.26
341.2632751	2.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	399.1215
Annotation	Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
Peak:m/z	Relative Intensity
115.0008545	0.02
127.9826050	0.03
130.1053009	0.07
132.0592957	0.10
147.1269836	0.04
160.0778503	13.16
161.1144714	0.03
171.0804443	0.02
176.0850220	0.02
177.9121399	0.07
179.1522217	0.12
180.2163391	0.03
185.2083435	0.16
186.0650330	0.57
187.1741638	0.05
189.1025238	0.02
190.9059448	0.12
192.0877991	0.08
197.2168274	0.04
202.0748291	0.83
204.0566864	0.28
205.1308289	0.03
215.9472351	0.03
219.0845184	0.76
220.1408234	0.47
220.9578247	0.31
223.9304504	0.10
235.7675476	0.18
237.0104370	100.00
237.9620361	0.02
238.9038696	0.21
240.4758606	0.15
243.2220459	0.03
245.9751892	0.06
246.9421997	0.35
249.0713806	0.28
249.9813232	0.04
250.9729614	0.05
254.9787292	0.25
260.9112549	0.36
262.2388306	0.07
264.2311401	0.13
265.0419922	0.07
266.7912598	0.02
267.8978882	0.06
272.9829102	0.11
278.4577942	0.30
279.1876831	4.04
282.5143433	0.09
283.2877808	0.13
284.3674927	0.02
286.0431519	0.19
287.2648621	0.12
288.9110413	0.18
299.1881104	0.10
300.3043823	0.03
303.3560486	0.05
304.2908936	0.24
311.9689941	0.02
315.1335754	0.46
318.9498901	0.04
322.2943726	0.46
327.0607910	0.12
328.2252808	0.04
333.0851746	0.14
334.2009888	0.02
339.1792603	0.04
340.2408752	0.17
345.2572021	0.98
350.9339905	0.13
352.1005859	0.06
363.1784363	0.24
365.1869202	0.09
366.3283386	0.19
367.1685486	0.61
370.1996155	0.06
381.1025085	1.57
382.1726685	1.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
93.13468933	0.14
115.0248413	0.53
123.073143	0.39
124.2422028	0.21
125.1969604	0.19
129.3078308	0.17
132.9882202	0.45
135.0234528	0.37
136.9911957	0.47
139.1433868	1.75
142.9705505	0.78
144.8551483	0.31
146.7654114	0.23
151.3251495	0.36
155.004425	2.19
157.052063	0.79
163.1731873	1.42
167.1842957	0.19
169.0727386	1.14
170.9317169	1.16
175.1476288	0.16
177.0797729	0.30
181.1631927	0.27
184.9016418	0.39
189.3233948	0.75
193.0731812	1.32
195.085144	1.55
196.9697266	1.43
201.3236389	0.57
203.1778259	0.28
205.1427307	0.54
206.4003601	0.16
207.1843262	0.24
209.0643311	2.41
211.1650085	6.29
213.1777344	1.07
215.2434387	0.55
218.9591675	0.85
221.1818542	1.04
222.9370728	0.25
225.0255737	0.85
226.9849243	2.71
229.1296692	0.75
229.9107056	0.12
231.2167053	0.53
232.0379944	0.41
235.1196594	2.94
236.7717896	0.48
237.4332886	0.91
238.2509766	0.46
239.0892944	0.46
240.2833557	0.51
241.1122742	1.27
251.1311646	3.06
253.1759033	5.71
254.9188232	0.17
257.3711548	0.12
262.7599792	0.21
263.4169922	0.30
265.1250305	1.75
267.3362427	2.07
268.2720947	0.23
269.2466431	1.00
270.276947	0.25
273.9830322	0.16
275.084259	13.42
283.2714233	2.54
291.5071716	1.03
293.2073975	100.00
311.3134155	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	191.0197
Annotation	Diketogulonic acid
Peak:m/z	Relative Intensity
67.0540237	0.03
85.0059433	0.26
86.9538803	1.17
100.9057770	0.03
110.8997040	100.00
126.9359894	0.03
128.9866486	1.85
130.9474487	1.01
142.8802643	0.05
144.9332733	0.07
147.0740662	0.19
154.9727020	0.26
172.9597473	21.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	420.0456
Annotation	Glucoerucin
Peak:m/z	Relative Intensity
127.8878174	0.51
139.0186920	2.61
144.9813232	0.75
148.5591125	0.55
163.1912842	3.92
165.2797394	0.92
178.0187988	7.02
195.0784760	4.79
197.0727539	2.57
198.8410797	0.59
211.0303040	0.75
224.1705475	10.21
226.9019165	9.92
228.7318115	3.10
240.9381409	3.05
242.0280457	17.17
259.0940247	100.00
270.9164734	0.52
275.0005493	39.83
291.0270996	3.18
305.3082275	0.48
340.1926270	23.59
341.2712402	5.26
386.2308655	1.02
388.2542419	1.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	423.9535
Annotation	Unknow
Peak:m/z	Relative Intensity
198.9327393	0.30
268.9588623	0.37
299.0681152	0.20
312.2742920	1.21
313.0354614	5.60
329.9857178	0.65
330.6549072	2.10
355.1884766	0.20
367.5274963	0.19
371.1412354	0.11
384.0166321	4.20
384.9223938	100.00
397.1636658	0.21
401.4487305	3.27
402.5738525	16.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2628
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
81.13760376	0.43
82.75930786	0.45
85.7795105	0.82
90.94805145	0.70
93.07400513	2.05
95.01820374	9.40
96.91464996	2.06
98.92481995	0.38
100.9399719	6.48
106.930954	1.42
109.003624	2.35
111.1434174	2.65
112.0875778	0.60
112.9946594	1.14
114.9955292	2.81
118.9645386	0.52
121.0692596	6.01
122.9599609	2.94
125.1573105	2.01
135.0298462	11.27
137.1321716	3.64
139.0493622	1.91
143.0973816	0.39
148.9946747	3.16
151.129425	1.77
157.1687775	0.95
159.2077789	1.82
160.8193665	0.27
163.0379028	7.47
165.0809937	4.96
167.2362671	1.34
168.1026306	0.43
168.8537598	1.23
171.2330322	0.36
172.1985168	0.43
177.2207642	3.42
177.9508972	0.79
178.9707336	0.49
180.1470337	0.79
181.0229187	1.28
184.1447296	0.27
187.3010864	1.71
191.2164917	2.61
194.2281189	0.67
195.1083984	0.52
197.2378235	0.49
198.9482422	0.30
201.2625427	1.11
204.0675964	1.34
205.1375732	3.74
206.8887024	3.11
209.1157837	0.76
211.2602539	2.97
213.0520325	3.79
221.2293701	0.36
223.1025391	1.13
224.9838867	11.60
227.051178	3.86
233.1579895	0.62
237.1952515	1.16
239.2044678	3.24
239.9745483	1.45
241.1880798	2.16
242.0610352	1.79
247.2167053	33.98
248.2180176	2.98
251.1101379	1.21
255.2719421	1.95
265.2533875	100.00
266.20224	1.03
269.2438965	2.24
274.2216797	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	265.0847
Annotation	N-Acetylcystathionine
Peak:m/z	Relative Intensity
90.0246277	0.42
118.9670105	52.86
130.0190125	0.45
135.9632111	100.00
148.0623932	0.90
180.0469208	0.13
201.0649109	1.42
201.9927368	2.04
206.0903931	0.12
217.2214966	0.24
221.5804291	0.24
227.8546753	0.16
229.1618500	0.22
242.1016235	0.16
246.9261017	3.66
248.0533295	7.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	385.09
Annotation	(3E)-4-(3-acetyl-4,5,7-trihydroxy-10-oxo-9,10-dihydroanthracen-2-yl)-3-hydroxybut-3-enoic acid
Peak:m/z	Relative Intensity
171.2132568	0.42
188.6986084	0.51
195.1576538	0.76
216.9462891	2.31
223.0697327	3.58
234.4201965	0.42
243.0468445	1.00
252.3649292	0.28
258.4570007	2.45
259.1297302	4.63
264.8074646	4.97
270.4580078	0.69
276.9519958	35.04
294.9692078	74.77
300.6582947	1.35
307.0552368	7.92
313.0688477	1.20
317.6425781	1.82
319.1303711	0.85
324.9901123	76.34
325.5916443	0.46
331.0663147	2.59
337.2706909	2.85
338.598999	0.83
339.4136963	0.88
341.0880737	0.79
344.1798706	1.38
347.6314697	0.56
349.0708618	43.36
358.145813	0.65
367.0890808	100.00
386.0639648	0.62
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	450.0565
Annotation	3-Hydroxy-5-(methylthio)pentyl glucosinolate
Peak:m/z	Relative Intensity
128.8104553	0.03
139.1078339	0.05
144.3118896	0.08
145.1023102	0.05
163.1172333	0.13
169.0887756	0.04
190.0435181	0.17
190.9574890	0.18
192.1142273	1.01
194.9970551	0.14
199.3097534	0.02
208.0067291	0.38
223.9792633	0.07
227.1655273	0.11
241.1800537	0.02
254.3022461	0.20
257.1579590	0.08
259.0883179	2.15
272.1368713	0.42
275.1379089	0.70
291.1188965	0.85
298.0085449	0.02
301.1558533	0.08
311.1241455	0.02
357.2165527	0.15
360.4353027	0.07
370.1421204	0.22
384.1244812	0.03
386.1279602	100.00
387.1303406	0.20
401.5076599	0.03
402.3016357	0.03
430.8261108	0.08
435.0784912	2.29
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
70.9926758	0.22
72.8158722	0.07
75.0505524	0.03
86.9690247	0.21
88.9323654	1.36
97.0746613	0.04
98.9154053	0.15
100.9504395	0.33
104.8898621	0.04
106.8249512	0.35
112.9678497	0.76
118.9870453	1.45
130.8618011	0.35
143.0619354	2.70
143.8443146	0.04
149.0068970	0.67
160.9879761	5.52
175.8905792	0.02
178.9465790	100.00
185.0227814	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	333.06
Annotation	alpha-D-Galactosyl-(1,1')-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
96.8968735	0.30
112.9508057	0.17
150.9550171	1.61
152.9772644	100.00
170.9961853	3.54
176.9067688	0.17
180.7917938	0.11
241.0177612	87.95
249.0155640	3.56
259.0149231	1.37
264.5369873	0.12
272.8784790	0.06
315.4014282	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	476.2761
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
147.0338898	0.14
151.0002136	0.04
153.1299133	0.03
167.3346252	0.02
182.1223297	0.04
185.3640594	0.05
193.4011688	0.08
198.1735535	0.14
203.0749817	0.03
216.1976318	0.13
225.2485199	0.07
233.4348602	0.08
237.0999298	0.05
238.1163025	0.05
243.2487488	0.12
251.5054626	0.04
261.3686523	0.20
271.4443665	0.11
273.0585938	0.07
277.0268250	0.05
279.3471375	0.12
287.4611206	0.06
296.4536438	0.14
304.4441528	0.25
308.3100281	0.04
313.3460388	0.10
317.5310364	0.11
318.4509277	0.10
323.4787598	0.10
335.3421021	100.00
348.4926453	0.07
352.2745361	0.21
359.3541565	0.03
360.0525818	0.15
361.6188354	0.03
367.1962585	0.04
374.4826660	0.04
385.1412964	0.12
387.0697021	0.04
396.1900940	0.16
400.0011292	0.02
400.7812805	0.13
412.2245789	0.08
413.4645386	0.07
415.1152649	0.42
423.3898315	0.08
426.8103333	0.02
430.2182312	0.09
431.2834778	0.09
431.9203186	0.09
433.2901306	0.25
440.1201477	0.04
441.2505798	0.11
455.7010498	0.10
458.2204285	5.84
459.1304016	0.58
463.6946106	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.18
Annotation	Tanzawaic acid E
Peak:m/z	Relative Intensity
94.84066772	0.10
108.9632416	0.15
145.1264954	0.21
149.1551056	0.34
171.2658386	0.35
175.1926727	0.98
182.037796	0.13
202.9758301	0.15
204.7201843	0.26
209.3644714	0.37
210.9959106	0.33
227.2388	0.57
229.2454529	0.18
231.3137207	0.10
245.1875	2.34
246.1618652	1.00
246.8226624	0.73
251.0294189	0.51
251.7157898	0.41
253.1843567	2.49
254.189209	0.23
255.0284424	0.27
259.3024292	0.27
262.2474976	1.59
268.9147644	0.30
271.1786194	100.00
272.0461121	0.39
273.2153931	0.53
279.5318298	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	309.12
Annotation	Bisdemethoxycurcumin
Peak:m/z	Relative Intensity
93.95209503	3.10
128.8484344	5.94
146.0450745	77.92
147.0479126	100.00
245.0931702	3.81
291.1843872	8.71
298.2791138	21.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1006.44
Annotation	Unknow
Peak:m/z	Relative Intensity
462.1624146	5.40
731.9536133	1.34
969.0976562	18.42
971.5032959	18.05
973.5181885	1.55
1083.7274170	17.39
1087.4085690	13.38
1093.8131100	30.51
1096.8845210	13.22
1100.1947020	15.74
1109.0184330	7.37
1121.8640140	13.37
1122.6710210	4.38
1125.3166500	1.14
1126.7078860	25.64
1130.9201660	12.25
1137.7026370	1.04
1140.1906740	27.60
1143.2659910	12.79
1147.6057130	10.12
1150.2846680	23.24
1151.6372070	7.06
1154.5401610	15.92
1159.8754880	15.10
1160.6856690	11.10
1162.5883790	16.19
1164.2095950	17.55
1170.6585690	31.54
1202.3970950	9.18
1223.0051270	5.04
1276.3498540	10.33
1296.5379640	14.78
1305.8533940	10.22
1310.7600100	22.03
1313.9304200	22.03
1318.9003910	8.95
1330.1551510	11.09
1333.6988530	11.56
1334.8161620	16.04
1342.2810060	16.54
1352.1070560	15.98
1359.2922360	11.63
1361.4222410	11.87
1386.6525880	3.68
1404.8988040	18.62
1520.3255620	2.16
1605.8652340	12.81
1613.7830810	1.44
1627.1772460	1.04
1635.7493900	1.14
1682.1517330	22.65
1696.1063230	0.93
1761.9888920	1.48
1786.6046140	11.65
1787.8792720	1.83
1799.2341310	1.04
1807.1558840	1.87
1809.9180910	12.78
1829.5842290	3.23
1833.1004640	1.04
1834.7091060	2.44
1846.4661870	6.84
1854.8448490	23.17
1868.2762450	0.73
1870.5701900	4.72
1876.2259520	1.24
1878.9022220	3.59
1882.3099370	8.74
1899.0642090	82.73
1901.0069580	5.99
1914.4846190	18.09
1919.2738040	9.52
1921.6851810	4.20
1922.4417720	2.82
1923.6937260	10.31
1925.6080320	23.01
1929.8312990	53.11
1935.9693600	2.64
1936.6304930	5.71
1937.7985840	45.05
1946.1473390	1.65
1948.4212650	3.09
1949.2510990	4.66
1951.2296140	21.73
1952.0994870	1.33
1954.9268800	3.19
1957.2501220	37.49
1961.3289790	3.17
1964.0509030	100.00
1967.2696530	4.25
1969.3426510	0.94
1970.7238770	6.87
1972.8591310	1.04
1975.7855220	6.36
1977.4211430	4.01
1982.2252200	86.42
1982.9896240	3.93
1985.8492430	27.00
1987.9108890	7.04
1988.9073490	0.83
1990.2523190	2.45
1990.9620360	2.64
1992.2199710	99.96
1994.7498780	4.62
1995.8049320	0.95
1996.9376220	3.90
1997.8031010	4.48
1999.0855710	29.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	324.09
Annotation	4-Methylthiobutyl-desulfoglucosinolate
Peak:m/z	Relative Intensity
96.8550110	0.04
100.1083298	0.37
113.9202271	0.22
116.0811691	0.31
126.9037933	0.45
130.0284729	0.30
130.9710846	0.53
144.7510986	0.10
147.0373383	0.24
156.0702820	0.20
161.9539185	26.64
163.7575073	0.07
176.6282349	0.33
180.0341797	0.07
184.2077179	0.25
194.9988098	0.61
200.3419800	0.09
203.9380188	0.05
212.0215454	2.55
217.9992676	0.13
228.1405334	0.07
240.1445923	0.37
242.2121277	0.06
244.1217346	0.34
252.1540527	0.15
257.9636841	0.19
260.2143555	0.19
263.9994507	0.10
268.1650696	100.00
269.9385986	0.24
274.4301758	0.11
279.0114746	0.22
280.3056030	0.06
281.9741821	0.20
283.2304077	0.14
287.9711914	1.64
288.6728210	0.31
293.5620117	0.31
295.6975708	0.17
306.1653137	1.06
306.9588013	0.36
308.5126953	0.50
314.9019775	0.27
323.3344116	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2208
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
128.8700104	0.29
135.118042	0.30
136.7359924	0.83
140.8912354	0.17
145.1318054	0.34
149.1786194	0.79
152.9896851	0.36
154.9682159	0.82
155.8340454	0.25
157.0509949	1.38
163.2095032	0.82
165.1575623	0.57
167.1604309	0.51
169.2541504	0.29
171.0093079	0.41
173.3948975	1.51
177.1826172	1.58
178.9458923	0.17
181.1777191	0.59
183.104538	0.72
189.012207	0.21
192.9641724	0.43
195.3765259	1.14
197.2322083	1.85
198.5933075	0.23
211.0229797	3.50
215.0866394	0.55
220.9908752	0.25
223.2324219	0.83
224.5740662	0.98
225.2197266	1.21
229.1762695	0.99
231.1437988	0.36
233.2735291	0.72
234.2483521	0.27
237.0811157	1.20
239.2235413	1.58
240.1871948	0.78
240.9691772	0.92
247.1373596	2.08
251.1963501	3.88
253.1409912	3.57
255.1803589	0.69
257.1303711	2.68
265.1112366	1.05
267.1494141	0.94
268.1585693	0.23
269.1044006	0.84
270.0138245	0.84
275.2195435	17.82
279.1850891	1.55
281.232666	2.12
283.3251953	2.13
287.9030151	0.31
292.0907898	2.09
293.2037048	100.00
294.2678528	1.17
302.2272644	1.40
309.1016235	0.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.82
Annotation	Unknow
Peak:m/z	Relative Intensity
122.9083252	0.68
151.1447754	0.05
190.8780518	3.13
206.7496643	4.44
233.8518982	0.54
258.9129639	1.16
265.1855774	0.20
274.8354797	100.00
290.7289734	60.58
291.3394165	0.22
292.6474915	0.28
342.6915588	28.17
343.3406982	0.16
358.7745056	11.77
381.2229919	0.11
391.1500854	0.22
408.6763000	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2213
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
111.0028076	3.24
122.982933	3.77
138.9852448	4.92
147.1333008	2.70
154.7299805	2.87
171.0547638	4.50
175.1023712	2.73
179.1974335	3.17
192.8751373	1.97
197.384491	1.10
223.1375122	5.03
235.1264343	8.85
237.2392883	3.47
253.4482422	2.72
254.9664307	2.10
263.6091003	1.54
275.4364319	18.31
282.3521118	3.49
293.2199402	100.00
294.2249451	3.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	611.14
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
177.0331116	0.50
179.0680695	1.53
182.3253479	0.09
185.0528717	0.20
192.1462402	0.21
197.0519867	0.30
203.2532043	0.18
204.0770874	0.05
207.8992310	0.07
210.0334473	3.37
213.0260315	0.12
228.0473633	0.23
230.8879089	0.12
236.2110443	0.14
236.9498749	0.06
241.9406433	0.05
252.0823364	0.31
254.1269836	12.00
262.6800537	0.08
268.1369934	0.30
270.2625122	0.11
272.1525269	32.88
286.1694336	1.61
288.1968994	4.59
290.8698120	0.07
304.2113037	17.08
306.1122437	100.00
316.9380493	0.19
320.2015381	0.38
331.1436768	0.12
338.1442871	43.52
353.1483154	0.29
361.4628296	0.14
385.0411377	0.14
417.9474487	0.30
419.2797241	0.14
425.0571899	0.15
464.1932373	1.09
482.2078857	32.99
499.1060791	0.06
513.4769897	0.04
514.3696899	0.16
549.6416016	0.15
575.0989380	0.52
592.2556763	0.12
593.2658081	15.65
594.1033936	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	477.0636
Annotation	4-Methoxyglucobrassicin
Peak:m/z	Relative Intensity
138.9056549	0.04
142.9183502	0.06
145.0996399	0.04
153.0046082	0.05
154.0580139	0.34
155.2132721	0.05
155.9158020	0.06
160.1276550	0.04
167.0268555	0.06
168.6387482	0.15
172.0655975	0.06
173.1139069	0.13
174.2756348	0.06
183.6065979	0.09
186.0611267	0.08
189.2842102	0.04
193.1047668	0.06
195.9110413	0.08
196.9064026	0.10
205.1431427	0.07
215.0798645	0.03
218.6758270	0.07
224.0526428	0.55
225.0715942	0.46
226.1177826	0.11
229.0363770	0.04
236.2285614	0.05
241.0711060	0.17
243.1894226	0.06
250.3030396	0.09
252.1687012	0.07
252.9721375	0.11
254.0438232	0.04
259.0399170	2.79
260.2443848	0.55
261.1674500	1.66
269.2080078	0.34
270.3121643	0.05
271.1335449	0.03
273.9976807	0.14
275.0822754	0.17
276.1384277	0.25
284.0829468	0.91
285.1389771	0.59
286.0879822	0.98
287.0404663	0.62
291.2076416	0.16
292.6414795	0.08
293.2730408	0.11
296.3861084	0.14
299.1257935	0.15
300.1256409	0.28
301.2297363	0.12
314.4901428	0.21
317.4030762	0.10
331.0351562	0.15
356.0885620	0.04
363.1090088	0.10
366.4136963	0.08
367.8638306	0.12
383.0855713	0.24
384.1462097	0.34
385.2022705	0.23
398.2221985	0.08
414.1501770	0.12
414.9584351	0.17
416.9303284	0.19
418.2011414	0.09
431.1966248	0.07
435.2080078	0.07
443.3756409	0.09
446.3336792	9.22
447.1841736	69.71
448.1239319	100.00
449.2450256	41.51
461.1791077	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	502.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
128.8069611	0.02
156.8815918	0.03
179.9059448	0.09
230.8503876	0.03
241.1376953	1.21
259.1955566	0.48
259.9523621	0.23
273.1778564	0.02
274.9659424	0.11
277.1271057	0.03
291.0517273	0.10
294.0112915	0.03
302.5556641	0.02
303.4011841	0.06
321.0128174	1.35
339.0935669	0.22
339.8541260	0.10
342.9167480	0.02
359.2652893	0.01
385.1176453	0.11
404.1217346	0.14
422.1153870	100.00
433.4472961	0.01
455.8697205	0.05
470.1029968	0.02
473.6714172	0.01
483.3100281	0.16
484.2388000	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.8903656	0.69
108.9141235	0.29
112.9565887	0.16
121.0871735	2.37
123.2261047	0.28
135.0550385	1.39
136.7461243	0.79
142.9018555	0.75
144.6161804	0.43
147.1201782	0.57
149.0811768	0.69
150.9943848	0.88
155.120697	0.80
160.119812	0.76
163.2949829	0.68
165.1416931	0.22
169.1196747	0.30
173.0793457	0.52
175.1451874	0.19
177.2330933	0.48
181.0712891	0.32
182.3864746	0.18
183.2774048	0.83
185.2539673	0.81
186.8199158	0.44
189.1429596	0.59
191.0391541	0.57
192.9824829	1.33
195.0912933	0.93
199.1584778	0.69
202.2822266	0.38
203.147171	0.19
205.4917603	0.39
209.1976929	0.34
210.9288635	2.62
213.2185974	1.06
217.0924683	2.12
219.2031555	0.53
222.1870728	1.24
225.1540833	1.28
228.9500122	1.24
235.2356567	0.28
237.0212708	0.33
243.2714539	0.50
245.0093994	2.74
247.2154846	4.97
249.2268372	0.17
251.2312012	0.52
253.2723389	1.88
255.167572	0.84
257.3219604	0.62
259.1338501	1.54
263.0760498	1.23
265.6625366	0.97
266.998291	2.15
268.9530334	0.69
270.1139526	0.30
271.3552246	0.59
277.2361145	1.35
279.3589478	0.13
281.2861328	1.52
285.2595215	2.38
291.2558289	0.85
294.7903442	1.23
297.0297241	0.53
299.0238037	2.25
299.9030151	2.21
305.3635254	6.96
308.8619385	0.33
310.3667603	0.30
313.1547852	0.65
315.017334	0.30
321.5187988	0.43
323.2310181	100.00
323.9891357	0.58
332.2941284	0.71
340.9487305	1.83
341.6203003	0.69
343.6143799	0.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	Deoxyinosine
Peak:m/z	Relative Intensity
79.1516571	0.92
80.75036621	1.52
84.02081299	0.33
96.98484802	0.36
104.8995514	0.63
117.1286163	0.71
125.1564178	0.22
146.0955353	0.39
147.8425446	0.39
148.9852448	0.62
150.9621277	0.57
156.9555969	1.06
164.9780579	0.33
167.2350769	0.71
168.9004364	0.68
173.079895	0.54
177.0003204	0.45
178.9775543	1.65
179.8491821	1.45
181.0589752	1.70
181.9647675	0.62
192.9429016	2.36
194.062027	0.73
195.0848846	1.80
196.0557098	0.30
202.9210358	0.36
205.2492218	0.62
207.1231384	14.40
208.0933685	5.86
209.0878601	4.66
214.8327484	5.00
215.4595795	0.43
220.3283386	0.36
221.1339874	0.59
221.9207916	3.63
223.084671	9.08
224.1334686	3.04
232.3663177	0.44
233.1777496	4.23
235.0394897	2.06
251.0799408	100.00
252.1354828	17.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1141.23
Annotation	Unknow
Peak:m/z	Relative Intensity
560.2202759	0.36
615.8004150	0.49
727.5472412	0.42
1096.9121090	0.90
1102.1062010	0.82
1117.0352780	0.75
1118.0649410	0.39
1122.5845950	7.65
1124.4316410	1.16
1237.5224610	1.89
1244.7343750	0.29
1249.9648440	1.12
1256.2929690	3.94
1275.5905760	0.79
1290.5063480	3.62
1293.2589110	2.19
1294.3161620	1.10
1295.8724370	0.82
1303.8237300	3.18
1311.7602540	0.36
1312.5006100	6.88
1317.8247070	3.38
1318.8819580	1.40
1357.6628420	5.96
1397.7785640	8.36
1404.5166020	2.07
1419.5769040	4.53
1428.5125730	7.43
1437.2047120	1.92
1440.3955080	11.17
1444.8095700	6.30
1446.6088870	2.67
1448.1000980	0.36
1454.9100340	2.86
1462.9293210	4.89
1478.5562740	4.33
1480.5125730	0.46
1482.3343510	7.21
1493.0141600	4.21
1495.4527590	1.04
1496.5509030	1.28
1501.6717530	6.44
1511.0000000	2.03
1512.9698490	5.21
1516.4976810	8.03
1528.0764160	1.56
1531.9781490	1.44
1533.7230220	4.26
1648.6705320	7.07
1679.0877690	2.24
1699.6094970	1.96
1718.0848390	2.89
1738.1595460	2.17
1747.9381100	1.56
1750.8736570	2.09
1801.1268310	0.72
1816.9669190	0.66
1840.7850340	1.66
1851.5252690	6.34
1853.4857180	6.18
1862.7659910	2.83
1865.6169430	1.19
1868.3035890	3.97
1873.7878420	7.25
1886.9298100	0.66
1898.3597410	1.44
1901.9056400	0.49
1902.6798100	1.68
1906.6065670	0.86
1908.5402830	0.78
1911.6561280	65.25
1921.9276120	35.25
1924.0819090	1.81
1927.5466310	5.49
1933.1380620	0.49
1933.8361820	0.66
1938.6696780	0.23
1939.7625730	0.36
1942.0977780	0.89
1944.8890380	1.26
1947.8739010	2.51
1949.1832280	0.42
1950.0529790	0.32
1951.0811770	0.58
1952.8796390	24.96
1956.2862550	0.86
1960.1325680	1.72
1962.7818600	1.06
1965.8543700	31.84
1968.6472170	12.89
1969.6325680	2.61
1971.8415530	17.79
1979.7401120	4.70
1980.9300540	0.59
1984.6180420	20.03
1991.7648930	1.49
1992.4376220	1.23
1994.0198970	10.46
1995.4268800	100.00
1996.3756100	0.46
1998.4813230	1.44
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
95.08187866	0.89
113.5928345	1.16
118.9906769	1.56
123.1362152	1.74
126.9678955	1.67
138.9198303	0.71
149.0344543	0.59
150.9539795	2.94
166.8472748	2.25
169.1277618	0.70
181.0707703	0.76
183.0005035	3.73
188.263855	0.59
192.8869629	0.76
197.3547363	3.55
205.0396118	0.53
207.0401917	1.28
211.2570496	2.01
225.0274353	4.03
227.3439026	1.90
229.2124023	0.65
233.1618042	1.34
236.9347229	1.22
239.3024902	1.79
241.0822144	3.77
242.7943726	3.10
247.4170532	3.50
252.1357422	1.90
253.0224609	6.65
265.4502258	2.31
266.09021	1.22
267.0512085	1.15
269.4836426	1.04
275.1882324	7.87
283.0291138	1.94
293.2075195	100.00
301.9902039	2.02
311.2314453	0.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.818924	2.04
116.7785416	1.17
121.2115021	0.53
134.9646912	3.54
142.9189758	0.57
149.181015	2.78
155.123703	0.66
157.0380249	0.57
158.8121033	5.80
163.1587677	1.23
165.0403442	0.52
167.0688782	1.04
169.0108032	2.49
170.9615021	1.87
173.0091553	2.91
204.8640747	3.48
205.7876892	2.33
211.1256409	4.49
217.0253601	1.13
220.9433899	0.42
223.2385864	2.26
225.208252	1.40
229.020874	0.99
238.9401855	1.80
245.2466431	0.84
247.3083191	0.84
273.4825745	1.84
278.1483459	1.75
287.1350098	2.53
295.2885132	4.13
296.5303345	2.81
299.414917	4.47
305.0719604	1.47
313.2649841	1.83
323.2372742	100.00
323.8431702	0.60
331.7163696	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	309.12
Annotation	Bisdemethoxycurcumin
Peak:m/z	Relative Intensity
104.9792175	1.64
109.929245	4.11
126.9807663	1.84
146.0412903	84.08
147.0443115	100.00
172.9998474	2.18
179.075058	1.98
182.8278809	4.08
185.1910095	2.98
193.0189362	2.31
193.9500122	3.82
241.2565308	1.42
249.3155212	3.76
251.0921631	3.16
266.3344421	1.53
267.8945312	3.52
281.2514343	2.60
289.1226196	2.64
291.0657654	24.43
308.173645	1.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2422
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
94.94996643	0.79
97.16231537	0.27
113.0330048	0.98
116.8519974	0.74
120.8535309	0.88
123.3316803	0.56
125.0958481	0.51
127.8895111	0.51
131.0909119	0.30
134.9565735	1.62
137.0031891	0.33
139.015564	0.40
140.7921143	0.87
145.1191711	1.83
150.9876709	1.08
154.9554443	1.49
156.8138428	0.40
158.9645996	0.63
161.0158386	0.74
163.0608368	1.77
165.0440369	2.22
166.0193481	0.96
166.9882202	1.83
169.1370087	1.21
171.0568848	0.33
175.2614594	0.43
176.6510773	0.91
178.1870728	0.64
181.1298065	1.54
183.086853	1.08
184.7109222	0.43
188.0579224	0.71
188.9619293	0.53
193.2608337	0.98
194.9819794	0.70
197.1326294	6.06
198.6045227	0.22
200.4593811	1.11
201.1313171	0.74
203.1727295	2.15
207.3021545	0.76
209.0456848	0.30
210.2765503	1.15
211.127655	2.43
213.1985474	0.25
218.9738464	3.10
220.2338562	2.48
221.3534851	0.43
223.1130981	2.33
225.308197	1.51
229.0298157	0.33
233.2364502	2.01
236.1871033	0.74
236.9794312	2.43
238.3214111	0.51
239.118042	9.59
243.1793213	2.25
247.5200195	0.46
251.1112366	4.86
253.0750122	4.19
255.170166	3.45
256.0953979	2.04
261.1574097	6.65
269.2103882	3.22
279.223877	100.00
280.272583	0.90
297.1773682	2.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2422
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
96.94841003	0.87
97.7878418	0.18
107.2320557	0.32
108.9681473	0.98
120.5767059	0.36
121.2184219	0.18
122.9151306	1.59
124.9641953	1.15
127.0510254	0.75
135.1200867	0.76
137.1405029	0.22
139.0420532	0.65
141.0099792	0.18
149.0820007	0.39
153.0540771	1.12
155.1246948	0.19
157.3060608	0.48
169.1760254	0.63
173.0676575	1.67
179.2405396	0.58
181.3074799	0.27
183.0195312	0.23
189.1021271	0.45
191.5550537	0.20
192.9468994	0.30
195.2936401	0.47
197.0614929	12.08
199.1649475	0.60
203.2838745	1.36
206.9362793	0.16
209.2696533	0.37
210.4856567	0.58
211.1217957	2.80
213.0071106	1.29
217.1965027	0.19
218.6029968	0.33
219.3033752	1.32
221.1099243	2.91
225.2424622	2.38
227.1919861	0.94
229.1826477	0.85
233.3990784	0.29
234.9820557	0.55
237.2008667	3.64
239.2068787	23.88
243.1819763	0.30
251.2966309	2.89
252.0688477	0.35
253.1478882	2.48
255.1443481	1.55
256.0924377	0.47
257.0994873	0.59
261.2270508	2.85
269.1160889	1.50
279.2221069	100.00
280.196228	0.27
281.172699	2.65
288.1130981	0.35
298.8871155	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	611.144
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
170.5967102	0.08
174.7951813	0.05
176.9337158	0.18
179.0726166	2.51
180.0547028	0.21
181.1311646	0.16
183.1633453	0.10
185.1510773	0.15
192.1147461	0.32
193.2573242	0.02
197.0948486	0.71
203.1896515	0.07
204.2786255	0.03
207.9343872	0.07
209.1206512	0.08
210.2039948	2.51
211.1931915	0.15
213.0357666	0.07
226.2048035	0.24
227.2056885	0.03
228.1622620	0.23
231.2115784	0.14
236.0390625	0.50
242.2226562	0.13
252.3874969	0.03
254.0811157	12.40
255.1825104	1.34
260.3500366	0.12
263.0521240	0.49
269.0887451	0.23
270.4215088	0.12
272.1416931	36.20
273.1486206	2.97
286.1245728	0.69
288.0941162	5.07
289.2133179	0.46
304.1177368	14.42
306.1089478	100.00
307.1367188	9.51
320.1207275	0.41
338.0521240	42.75
338.9851074	4.19
339.5972290	0.09
353.2618408	0.11
361.3834839	0.23
380.9890747	0.04
400.3596802	0.03
401.0601807	0.04
404.5024414	0.09
446.1445312	0.06
464.1566162	1.20
465.2890015	0.18
482.1651611	37.14
483.2585449	4.92
506.2030640	0.04
509.9405518	0.17
511.0725708	0.36
548.1522827	0.17
557.0791626	0.15
575.3829956	0.61
576.3648071	0.14
582.2197876	0.04
593.2018433	17.00
594.1226196	2.99
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
87.05695343	1.42
94.84272003	1.73
109.2896576	0.66
118.9995651	0.92
123.0789642	1.94
129.0396576	0.68
137.1831055	1.95
138.9657593	7.44
143.0415039	0.63
148.9981995	4.27
151.0451355	1.36
153.2418518	1.41
155.1196289	0.81
158.9518433	0.76
163.2320557	0.78
167.1340332	1.55
169.0084381	3.41
179.403595	1.46
181.2309875	1.76
183.0667572	2.42
185.1540375	1.70
186.9892273	0.78
197.1594543	4.61
199.4353333	1.02
203.1167908	6.07
205.2047729	1.65
209.0010071	1.58
211.0426025	4.03
212.1152344	1.31
218.9590454	0.45
221.0542908	3.33
227.171875	1.04
233.3223267	0.93
237.2199097	6.15
239.0023804	10.25
241.2100525	1.21
251.2392883	5.33
255.2764893	4.14
257.1002197	3.96
261.0413208	9.01
279.237854	100.00
281.2109375	1.26
303.0339966	0.88
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	603.204
Annotation	Unknow
Peak:m/z	Relative Intensity
215.8904419	0.15
235.1478882	0.08
251.2124939	0.31
260.2776794	0.06
303.0603638	0.16
320.9255371	0.24
348.2091064	3.58
354.8416138	0.05
357.1929932	0.18
361.1204224	0.06
406.1961060	0.16
414.4510498	0.09
417.1359863	2.38
417.7643433	0.19
427.7375488	0.13
440.9351807	0.36
445.4404297	0.66
446.3708496	0.12
447.3649902	0.14
457.3315430	0.07
459.4743652	0.29
462.7977295	0.33
471.4342651	0.08
472.4045410	0.18
473.2879639	0.42
479.2391357	0.24
484.0268555	0.19
506.3048706	3.38
507.1879883	0.23
515.3959961	0.08
521.1881714	0.25
539.7955322	0.13
541.0619507	0.17
542.5764160	0.26
554.9644165	0.14
558.4326172	0.56
561.2440796	0.35
563.5786133	0.88
567.1161499	0.48
584.1906128	0.09
586.2896729	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	375.1427
Annotation	3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone
Peak:m/z	Relative Intensity
122.8876572	0.09
136.9712677	1.94
140.9710083	0.21
144.712204	0.23
156.9459839	0.15
158.1247559	0.51
165.0883789	0.95
175.0149231	0.16
177.1623535	0.16
179.1925812	0.46
184.4464874	0.28
189.0032043	0.20
190.9147644	0.12
196.1413727	0.16
201.0953827	0.36
203.0758362	15.75
205.007782	2.34
208.7810822	0.09
213.1618652	0.20
215.0935364	0.75
219.1094971	0.20
221.1748657	2.17
221.9746399	0.72
223.2223511	0.20
225.0127563	0.21
232.3886719	1.36
233.0749817	15.01
237.1316833	0.41
251.2235107	2.77
253.1652527	0.21
254.1401672	0.28
257.2094727	0.13
263.2930298	0.22
265.8897705	0.50
267.7913208	0.34
270.2772827	0.92
271.124054	0.44
275.4271851	0.18
279.4896851	0.40
283.4084473	0.34
285.3400269	1.64
286.1195679	0.10
288.3653259	0.43
290.246582	0.14
293.5003967	1.09
295.2270508	0.12
296.421936	0.34
300.8885193	1.02
304.6045532	0.68
307.3032837	0.58
309.118866	0.20
311.0562134	1.50
314.3389893	0.76
315.3182373	0.21
321.1837769	1.03
322.2489624	0.45
325.2851257	2.11
326.4118042	0.56
327.2294922	1.72
329.0215454	0.78
329.9434814	0.15
330.7574463	0.32
334.1251221	0.28
339.2333984	8.19
339.967865	0.19
342.3058777	0.18
343.203125	1.03
344.5513916	0.61
345.2479553	3.06
347.1872253	0.32
357.1350403	100.00
357.7522888	0.24
360.6921082	0.26
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
94.9932251	2.56
96.95714569	0.49
108.7080154	0.69
122.9799652	3.67
132.8828735	1.04
136.1557312	0.76
139.0450439	3.24
142.8649902	1.57
147.1788635	1.24
149.0264282	0.54
153.0499573	3.07
155.0528564	0.47
169.0882263	1.98
183.2260132	1.16
189.1730804	1.99
195.1048279	2.41
197.1434326	4.42
201.143219	0.32
203.2130737	1.48
209.1231689	0.69
211.1978455	0.45
213.0367432	3.10
221.0844727	4.11
222.4073486	1.24
225.0849609	4.16
236.1584473	0.80
237.0114441	0.63
239.0800171	8.71
243.2958984	2.44
249.0436401	0.76
251.2471924	2.88
255.1479797	1.46
257.2663574	1.14
261.1884155	4.48
263.3125916	0.63
266.2390747	0.72
279.2237549	100.00
280.6096497	1.05
288.2093506	0.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	Deoxyinosine
Peak:m/z	Relative Intensity
110.9671478	1.88
151.0681152	3.29
152.023468	1.76
163.9544983	1.88
165.2132111	5.00
166.1922607	2.41
174.0851898	6.74
177.3382416	1.88
178.0584259	1.72
180.0060883	21.18
190.1503296	8.35
191.7663116	3.23
195.024231	2.25
196.3143768	3.45
197.0708466	3.13
204.3426971	1.39
204.9500427	1.72
206.2041626	5.46
207.2037354	18.10
208.2419281	18.35
209.2146912	40.46
215.0648956	12.11
216.0479736	8.42
217.0622101	4.43
221.7477417	12.71
223.3833923	22.92
224.3016815	20.97
233.088974	1.88
234.2061157	8.22
235.1640015	1.39
237.0830688	4.73
251.0831299	100.00
252.1113892	96.06
253.0719604	4.77
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	341.1087
Annotation	Galactinol
Peak:m/z	Relative Intensity
100.8951111	4.82
106.3846893	1.41
113.0140533	12.26
119.0308228	13.24
125.1030884	5.99
130.7216187	6.19
139.9624634	0.81
142.9658813	27.04
148.440506	4.55
149.1784973	1.11
154.9673767	1.60
160.9370117	17.68
165.0997925	3.64
179.0477905	100.00
200.9580231	0.51
221.3286743	0.52
223.1057129	2.07
228.9599304	0.62
243.1468201	1.03
257.0281982	0.67
264.9801636	0.57
279.8685608	1.32
281.2496948	3.95
295.0711975	12.06
304.9983215	2.28
311.265625	0.61
313.1700439	2.02
321.1622314	1.24
323.1494751	1.48
324.1750183	1.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	285.2069
Annotation	2,3-Dihydroxycyclopentaneundecanoic acid
Peak:m/z	Relative Intensity
86.05066681	0.27
92.91255951	0.10
113.2011414	0.27
115.0391693	0.18
127.0326767	0.92
129.0579224	0.26
137.3910828	0.20
140.9999695	0.10
153.9212799	0.19
155.265564	1.02
156.8889008	0.51
169.1936646	2.88
171.1502991	1.68
176.9577484	0.19
182.9757385	0.18
187.1006317	0.22
191.2875671	0.30
199.2061462	0.26
201.075592	0.67
207.2278442	0.40
210.9761047	0.13
221.1300659	0.86
223.2450562	21.92
225.1126709	0.78
228.2228699	0.82
229.3308716	0.20
239.1282043	2.83
241.1136475	8.37
242.2609253	1.10
246.9448242	0.50
247.9406738	0.76
249.1374512	1.30
249.9291992	0.50
254.1750488	0.25
255.3800964	0.15
257.2326355	0.46
265.1028748	1.11
267.1871948	100.00
268.1383362	3.31
269.35495	2.05
271.2300415	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	182.0808
Annotation	4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline
Peak:m/z	Relative Intensity
135.9920197	18.47
137.0801544	0.04
142.4212036	0.01
147.0452881	0.14
154.1428070	0.09
164.9420319	100.00
173.1320343	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	Deoxyinosine
Peak:m/z	Relative Intensity
97.01068878	1.43
99.0561676	1.62
117.182663	3.88
119.0927124	1.32
120.8683472	1.83
126.9236908	1.06
128.116745	2.90
136.9340973	0.69
149.1299133	5.23
154.9488983	0.83
167.2152863	1.40
169.0229034	0.96
174.0229034	2.39
175.9697876	1.22
178.0861511	6.23
179.9894867	0.56
180.8698578	2.44
183.0900574	0.76
183.8362579	0.71
195.2310486	2.27
196.3603668	1.69
205.0817413	0.77
207.3329773	17.03
208.1261139	7.46
209.3145599	10.92
210.0094757	0.90
214.9977875	4.86
216.9304047	5.33
222.1690674	8.94
223.0258636	14.05
223.9464874	11.63
225.0604248	1.96
233.5218353	6.04
234.3477783	0.76
235.0534058	0.98
242.5470581	0.76
251.0818939	100.00
252.1463776	54.24
253.2728882	3.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	830.65
Annotation	Unknow
Peak:m/z	Relative Intensity
410.8402710	1.97
426.5637817	7.67
442.6698608	1.66
458.8008423	0.92
495.0529785	0.68
510.2328491	7.02
510.8445435	18.37
526.6539307	23.99
542.6298828	1.59
570.0815430	2.15
578.7117310	14.24
594.5157471	28.85
604.8395386	2.75
646.7339478	0.70
659.8177490	3.52
662.4647827	38.41
664.6790161	2.39
677.9067993	5.45
678.5215454	36.74
700.2386475	1.36
724.6312866	4.80
743.9890747	5.97
746.3391113	100.00
747.0649414	3.25
762.4039917	4.63
770.0379639	2.29
771.0582886	2.82
774.9386597	2.52
787.6716919	1.09
806.9758301	1.73
843.4723511	0.74
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	388.05
Annotation	Unknow
Peak:m/z	Relative Intensity
113.0408707	0.52
118.9644012	2.39
119.8198853	1.62
128.7971191	1.92
130.8432770	1.89
138.7808228	1.22
143.9284058	2.43
145.0376282	8.63
146.4058075	0.94
147.0642395	1.36
147.9371948	2.44
148.9452057	2.53
162.0674286	6.02
162.9269104	14.29
163.9081421	6.84
165.1303406	2.76
170.8370514	1.34
173.7204285	0.69
190.0882568	3.33
191.2548065	1.19
192.1585083	1.71
193.0344543	2.57
194.1002960	4.68
195.1233826	12.74
196.1190033	4.19
197.0165253	1.22
199.1319580	0.66
200.1047516	0.64
201.0629272	0.91
208.0435181	10.30
209.2220306	10.70
210.1022949	6.02
210.9659882	0.33
212.5966339	0.24
217.1178284	1.17
223.7241821	0.40
224.9606934	1.21
226.9867249	10.81
228.2718811	1.82
229.0318604	2.37
233.1682434	0.52
240.1121826	0.52
240.9161377	3.38
241.8632202	0.76
243.2257690	2.03
257.2199402	0.54
259.0126648	100.00
259.9932251	58.83
261.0825500	41.69
275.0711060	14.88
276.0530396	29.72
277.0257568	30.94
278.0983582	0.37
292.2030029	1.69
293.2267456	1.15
306.2325134	4.84
307.2057190	12.77
308.2150269	2.07
341.2141418	8.46
344.0263367	0.35
353.4144592	0.43
369.6765442	0.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.278
Annotation	PE(16:0/0:0)
Peak:m/z	Relative Intensity
139.9731750	0.29
153.1012726	0.02
166.1608734	0.04
196.0389404	1.89
214.0647278	1.15
219.9057159	0.05
237.3142395	0.01
250.3216858	0.02
253.8839722	0.02
255.2606506	100.00
342.1149902	0.02
381.4811707	0.03
391.2120056	0.42
408.1506653	0.12
414.0273743	0.10
416.3392029	0.04
424.6637268	0.06
433.2575378	0.06
434.1828308	0.11
435.1029358	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	670.99
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
264.9359436	0.12
332.9807129	0.12
348.3471680	0.06
350.9342651	0.15
366.5478516	0.12
403.1439209	0.10
405.2945557	0.04
416.4361572	0.23
418.7915039	0.12
434.7450562	0.38
444.8896484	0.09
500.4383545	1.15
502.6534424	2.70
509.5507812	0.25
516.4202271	0.24
518.7690430	0.71
534.9393311	0.31
535.5553589	0.17
555.9650269	0.43
569.0519409	0.30
582.0062256	0.08
584.6221924	0.75
586.6696167	15.16
587.3530884	0.70
602.6063843	0.85
603.3504028	0.20
610.0603027	0.17
625.1536865	100.00
628.1634521	0.06
671.2691650	0.05
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
114.9666443	4.38
130.9414673	0.20
158.8917542	100.00
159.8563995	0.06
198.9765625	1.78
216.9969788	0.81
227.0520630	0.02
228.9043579	24.82
244.9532776	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	339.0719
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
114.9750824	0.48
133.0311432	1.96
134.0085754	0.03
139.0521088	0.04
141.0144653	0.02
164.0946045	0.03
179.1073303	0.69
180.0629578	0.01
184.9499817	0.02
208.1572571	0.09
217.15979	0.01
223.059845	100.00
224.016449	0.02
229.8652954	0.02
239.133728	0.01
241.1799622	0.03
252.8997192	0.01
261.1653442	0.01
267.1376648	0.03
277.5381165	0.03
281.2353516	0.02
285.303894	0.01
293.4063721	0.03
294.1900635	0.01
294.9898376	0.05
297.1323853	0.01
306.7760925	0.02
309.2702637	0.02
311.118988	0.06
316.9622192	0.01
317.6248169	0.01
319.2608032	0.11
320.2584839	0.21
321.3581848	0.06
323.5213318	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
93.08410645	2.50
122.1630325	0.64
137.0281982	100.00
160.828186	2.65
179.0822601	0.79
183.174469	0.95
203.3803711	3.71
205.0582581	1.93
207.0916138	5.08
208.9388123	0.69
211.1719055	0.95
215.1778564	1.18
219.179718	0.69
224.6334229	1.29
225.2402649	1.57
226.1779785	1.46
238.1630859	1.11
239.0373535	2.15
253.0498962	32.31
254.2700195	5.64
255.2294312	1.62
256.0770874	1.24
262.6865234	1.77
264.0039673	0.89
279.2425232	1.02
281.2462463	8.17
281.9678345	0.98
283.9776611	1.12
298.3789673	2.75
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
91.04043579	0.37
106.7859039	0.84
111.0078659	0.52
119.1252289	0.36
123.0479202	0.21
128.9191895	0.25
132.8517914	0.69
135.0674896	0.33
139.2856903	0.54
140.0609741	0.53
141.0802155	0.92
143.0321503	0.48
147.0290985	0.33
150.8126526	1.14
152.8686523	1.28
154.9810333	0.31
163.1540375	0.75
167.0389862	0.58
168.9442444	1.51
175.1271362	0.56
177.2331543	0.89
181.0157776	0.94
184.9172974	1.55
189.3442993	0.27
190.90242	0.96
193.1797333	0.64
195.082901	2.41
197.1268005	0.75
199.3215332	0.60
201.0999451	0.37
205.364563	1.99
206.9837341	0.21
208.8505249	1.40
210.8134155	0.39
211.4912109	0.38
215.223114	0.58
219.1901245	0.78
223.4698792	0.37
225.1098328	2.17
227.131958	1.31
228.9578552	0.70
235.2291565	2.41
237.0338745	0.58
239.2250061	0.64
241.0968323	2.38
247.2632446	1.15
248.3707886	0.25
251.3885803	3.78
253.0855103	7.80
255.0669861	0.15
257.3399658	0.41
261.4575195	0.21
264.994873	1.26
267.1040344	1.01
269.5543823	4.80
270.2913513	0.49
275.2333374	19.30
276.3226013	0.21
277.7729492	0.40
280.2588196	0.41
281.2598877	0.66
282.456543	0.99
283.1925049	2.18
285.0861816	0.32
290.5846863	0.80
293.2148438	100.00
294.2205505	1.52
302.9631653	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	309.0614
Annotation	Mono-trans-p-coumaroylmesotartaric acid
Peak:m/z	Relative Intensity
97.1031342	0.09
110.9965515	0.04
114.9821320	0.53
127.0394745	0.04
128.1201477	0.09
132.9768982	3.26
134.9889832	0.06
143.0203857	0.11
144.8760529	0.10
146.9579620	0.07
149.1184387	0.16
159.0271301	0.03
162.2035675	0.17
166.0840149	0.05
173.1564789	0.06
178.9932251	0.61
186.1208038	0.07
193.0953522	100.00
195.1334686	0.09
197.1803589	0.04
199.0523224	0.07
202.9794769	0.08
207.0763550	0.03
208.1351013	0.06
215.9186707	0.05
220.1390991	0.06
225.1707458	0.18
226.8680115	0.04
229.1799927	0.35
231.3983765	0.05
233.3544312	0.19
235.1487122	0.08
237.1690979	0.04
240.4275513	0.05
247.1736450	0.09
248.8664551	0.03
250.2121887	0.04
252.9623413	0.05
254.1023560	1.16
255.0227356	0.35
256.0669861	0.27
257.0671387	0.04
261.2612305	0.03
263.1716309	2.10
264.6137695	0.09
265.2322998	0.10
271.9010925	0.63
272.5665894	0.02
273.3028870	0.29
274.2028198	0.37
275.3157959	0.05
279.2463684	0.10
282.3776245	0.03
288.9342957	0.33
290.0652466	1.37
291.2203979	1.51
293.1281738	0.05
295.1078796	0.25
309.2757568	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	678.7
Annotation	Unknow
Peak:m/z	Relative Intensity
206.8351440	0.42
231.9611511	0.22
251.6236572	0.22
274.8645325	0.80
277.1310120	0.25
290.7532959	3.88
320.7081299	0.24
342.9736938	0.16
358.7093506	6.68
359.4841309	0.84
374.3217163	1.44
391.1113281	0.14
424.8622437	0.23
426.6142578	10.11
427.2583618	0.12
442.0273438	2.33
442.6727905	15.77
446.7309570	0.78
458.1149902	0.35
458.7692871	1.82
460.2788086	0.18
498.9085693	0.57
510.0514526	4.79
510.6994019	52.45
515.0930786	0.20
526.6154175	100.00
541.2722778	0.40
542.5753784	9.97
584.6514893	0.58
591.7547607	0.26
594.0227661	14.35
594.6873169	52.44
610.0129395	1.11
610.7293701	1.67
632.0061646	1.85
655.9249878	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
93.04478455	0.18
96.97606659	1.28
98.72087097	0.32
104.8404388	0.99
108.9932861	1.51
113.1401062	0.23
114.9610291	0.30
121.1360168	0.24
123.096756	1.40
124.9996948	0.43
127.2650757	0.26
136.9225464	1.18
138.8380127	0.17
142.9386292	0.36
144.9894714	0.62
149.0259399	0.69
150.7758789	0.65
152.9422302	0.92
155.0447388	1.07
156.2394867	0.37
157.0379639	0.39
159.3277893	0.63
161.0509644	0.64
163.1827393	1.30
164.9050903	1.13
167.0581818	1.15
169.1374054	0.84
171.0130768	0.19
177.5261536	0.24
179.3052216	0.22
181.2879028	0.17
183.0040588	1.93
185.1407471	0.69
187.0388947	0.71
197.1088257	3.72
198.3910828	0.50
200.9868164	0.65
205.1149902	0.23
207.108551	0.17
209.2552795	1.14
211.1177368	3.30
213.1751709	1.13
215.3180237	0.54
219.1803589	1.34
220.1214294	0.47
221.2346191	2.22
222.2793884	0.44
223.365509	0.56
225.1286621	2.10
233.0799561	0.55
235.9714661	0.26
237.1300659	1.80
238.4431458	1.11
239.3103638	9.56
241.1957703	0.23
243.1087036	2.29
249.9634399	0.18
251.0064087	2.76
252.2196655	0.18
253.1214905	1.72
255.7385864	1.11
257.0861816	1.05
260.5774536	0.62
261.237854	5.28
267.9241028	0.17
268.9932861	0.23
273.0549316	0.20
279.2383728	100.00
280.1510315	0.38
281.1360474	1.21
288.3916931	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0852
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
82.94920349	0.10
102.9621124	0.03
104.2580872	0.05
105.0404663	0.09
107.1060791	0.10
108.1509399	0.03
109.0484467	0.03
117.0588379	0.06
119.0191345	0.07
123.5045929	0.04
129.0343628	1.25
130.032074	0.44
135.1118011	0.03
141.2688751	0.08
142.1987915	0.03
143.0565186	0.02
145.8347168	0.05
151.052597	10.64
151.9723511	2.04
152.9779053	0.02
154.1371307	0.07
155.0225677	0.12
157.0462341	0.02
158.2091217	0.02
165.0280762	0.02
167.0354767	0.57
168.9261627	0.09
171.2506866	0.02
179.1060791	0.36
180.0809326	0.17
182.0092163	0.16
185.0700226	0.31
186.1762695	0.20
190.2346954	0.03
191.0926056	0.09
192.1632843	0.03
194.1924744	0.12
197.1490021	0.62
198.1267853	0.14
206.0912628	0.14
207.1699371	0.14
208.3351288	0.08
211.066452	0.11
212.1525116	0.17
222.7508545	0.09
225.1077881	0.52
226.1026154	0.69
227.1179047	0.03
235.0256195	0.02
238.1391602	2.47
239.1840668	0.54
239.9506683	0.02
250.9342804	0.03
253.0859528	100.00
254.1829987	2.77
255.1426239	0.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2502
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
101.0715637	0.55
108.9978027	0.78
111.0772552	0.40
117.0405884	0.15
120.9918518	2.58
122.7044525	0.21
128.8629456	0.37
130.8141022	1.57
132.9382019	1.04
135.0797272	3.81
137.1699982	0.85
141.0174713	0.32
142.80896	2.56
146.9315186	1.18
149.1607971	1.49
151.1116333	1.50
153.1188965	0.88
155.0796814	0.24
156.7906342	2.20
158.8888245	5.77
161.0850677	1.57
162.1113586	0.23
163.1848755	0.50
166.1574402	0.62
169.0524597	1.74
171.010376	0.72
173.0669098	6.64
175.0754242	0.48
177.2013092	0.87
181.2571106	0.61
181.9352417	0.58
183.1549683	0.84
185.011261	0.69
186.9609985	2.43
189.1713562	0.66
194.3268127	0.33
197.0487366	1.24
199.0914001	0.24
202.9731445	0.31
205.1027832	1.46
206.9776459	0.39
208.8710022	0.20
209.7470703	0.36
210.9390259	2.10
213.0429077	0.72
217.3004761	0.52
223.0637207	0.47
225.3465271	0.73
226.9040222	0.64
229.254364	0.66
230.004303	0.17
231.0492554	0.23
233.1627808	0.71
235.1806335	0.45
237.3359375	0.16
243.4248962	0.13
245.197052	1.98
247.2177734	6.32
249.1921692	0.70
251.0464783	0.63
255.3336792	0.23
257.0822144	0.61
259.1074219	1.62
261.0799255	0.45
271.1993713	0.43
277.3776855	0.61
279.2514648	1.25
281.4434204	1.32
282.9181519	0.21
284.2028198	0.24
285.2185669	0.78
287.2867737	1.55
295.3135376	2.71
296.1305847	1.17
297.2868652	1.86
298.5788879	0.26
299.3162842	1.81
300.1127014	0.16
303.175293	0.18
305.2628174	4.65
307.1713867	0.16
311.5716553	0.38
313.3122864	3.82
314.8390503	0.37
316.9953918	1.26
319.4957275	0.31
323.2357483	100.00
324.3230896	0.39
325.1006775	0.23
340.4167175	0.39
341.3649902	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	370.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
109.1940155	0.14
115.1459274	2.65
117.0009232	21.54
136.8897095	0.09
160.0167236	0.14
174.5266113	0.11
177.0300446	0.13
189.1716614	0.24
202.4855652	0.20
208.0920715	13.46
210.6337738	0.07
215.3291321	0.07
221.1845398	0.18
222.3131714	0.17
228.1838379	0.21
231.2386780	0.10
237.3456726	0.22
240.3439941	0.16
242.2011414	0.07
255.2174683	0.08
260.5216370	0.30
267.3018799	0.97
271.2464294	0.09
275.1907654	0.55
282.2952271	0.27
283.7181396	0.09
292.3769226	0.56
295.2514648	0.31
307.1237793	0.63
310.4552917	0.27
311.2998657	0.43
312.6592712	0.06
317.1174316	0.38
324.0001221	100.00
324.6889343	0.54
327.1550903	0.71
328.3049927	0.53
333.1796265	0.32
333.9624023	0.56
334.7927246	0.45
338.5947266	0.33
339.9485779	0.46
343.0635376	0.16
351.3437195	7.05
352.1244812	47.35
352.9336243	0.15
353.5497131	0.11
360.8926697	0.41
370.3429871	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
104.9068375	0.05
139.0414734	0.04
165.0492706	0.07
166.9895782	0.06
183.1111450	0.05
199.1948395	0.23
205.1221008	0.12
217.2904663	0.07
223.0492249	100.00
223.8765259	0.03
229.2967834	0.05
231.0924377	0.05
237.9601746	0.07
239.8352966	0.05
241.9210205	0.07
249.3026733	0.08
251.1341858	0.04
265.2201538	0.77
266.5070801	0.47
267.1958008	2.23
268.0477295	0.27
273.0057983	0.13
274.0415649	0.11
275.2412415	0.16
279.0456543	1.03
281.1038818	0.06
283.2033386	0.16
293.1454773	1.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
84.94163513	0.11
94.96958923	0.73
97.02045441	0.25
109.0063477	1.07
112.6944351	0.17
113.9701691	0.17
121.1338348	0.18
122.9959412	1.43
125.0301285	0.07
126.9930573	1.08
128.845459	0.11
132.8716431	0.27
135.0473633	0.97
136.9782257	0.94
138.1316223	0.15
139.0729065	0.78
140.8051453	0.13
147.1751404	0.15
149.0353699	0.41
150.9878387	0.14
152.9036407	0.65
155.0622253	1.34
156.6670532	0.30
158.8903503	0.14
161.045105	0.54
163.1054077	0.30
165.1247253	0.53
166.9400024	0.12
168.8733368	0.26
171.125824	0.42
175.0778809	0.13
177.165329	0.23
179.1573181	0.80
180.9873199	0.51
182.9771881	2.39
185.0847168	0.61
187.1620483	0.13
188.9363251	0.08
189.8035431	0.11
191.1507263	0.12
195.1583862	0.69
197.0726624	6.68
199.0546265	0.62
201.0817566	0.37
203.3075562	0.35
207.0800171	0.80
209.1747131	0.36
211.0681763	5.86
213.1741028	1.76
215.3629456	0.13
219.2308655	0.18
221.2151489	2.36
223.3964539	0.63
224.5495911	1.04
225.1911926	3.15
227.3232117	0.76
229.461731	0.37
233.2781982	3.83
235.4854126	0.11
237.0769958	4.02
239.1243896	10.70
241.093811	1.14
243.2348022	3.32
249.8086853	0.08
250.6940918	0.66
251.3410034	4.30
253.1977844	1.45
254.6488037	0.50
255.2538147	1.44
256.3190308	0.31
257.0503235	0.97
261.2466431	4.04
263.1517944	0.06
268.1215515	0.15
269.2667847	0.91
279.2220154	100.00
280.9638062	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	540.93
Annotation	Unknow
Peak:m/z	Relative Intensity
157.0345612	0.07
175.0522308	0.18
182.8047180	0.06
281.4523315	0.19
329.4014282	0.21
347.0093384	0.31
370.4405518	0.09
383.3511963	0.29
400.9514160	0.15
411.0677490	0.65
424.8853149	0.63
426.9790039	100.00
428.0333862	1.26
430.0393677	0.18
441.1448364	0.12
442.0361328	0.34
442.9437866	0.72
443.8192749	0.87
444.6960449	0.24
445.7853394	0.25
451.9711304	0.07
454.0279541	0.09
466.2123413	0.06
467.1560059	0.13
468.1839600	0.08
469.4425659	0.26
470.1593628	0.23
485.2308350	0.20
492.9635620	0.11
494.1776733	10.22
494.9837646	14.22
496.0777588	0.33
499.3811646	0.28
500.1701050	0.13
511.9747925	3.42
512.8741455	6.49
513.7672729	0.23
515.3443604	0.14
517.9240112	0.16
520.0375366	1.04
520.8228149	0.35
522.6854858	0.54
523.8469849	0.13
524.9788208	0.64
526.7809448	0.52
528.2824097	0.56
528.9207764	0.21
530.8681030	0.06
540.8825073	0.08
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
272.9996338	14.40
273.9559937	3.73
275.0291748	1.13
387.1328735	11.96
388.1695557	11.98
389.0493164	8.39
500.9060669	37.48
501.9566650	58.88
502.9277954	100.00
503.5383301	0.83
543.1188965	0.55
571.0055542	1.08
572.8973999	1.01
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
90.8947525	0.63
92.99072266	0.57
98.92247772	0.39
104.8982697	0.72
109.26091	0.31
110.8980255	0.26
113.1511917	0.24
114.9493866	0.14
121.1316299	0.19
122.8120346	0.19
126.101265	0.16
126.9458618	1.88
130.595459	1.29
131.2589722	0.18
139.1248474	0.92
141.2093506	0.87
143.3447266	0.75
147.1733704	0.69
150.5469971	0.19
153.1861877	2.17
155.1053162	2.28
157.1563721	0.63
161.0408325	0.16
165.1097717	0.37
167.1882324	0.55
169.1500854	1.16
170.8850098	0.60
179.1013336	0.33
183.0858765	3.51
185.1060791	0.91
193.0218506	0.18
195.167572	0.47
196.9478912	4.25
199.2039185	0.19
202.9837952	0.76
207.227478	0.43
209.1311035	0.82
211.0169678	1.05
213.3018799	2.15
217.0135498	0.29
219.2008057	0.70
221.1954651	2.18
223.3462219	2.07
225.3852234	0.19
226.274292	0.55
227.1178284	1.63
233.0871277	2.01
234.9858093	0.96
237.0964355	4.49
238.6820068	2.01
239.2934875	5.48
243.2897339	0.88
245.3459167	1.00
246.9190979	0.54
250.4710693	0.33
251.2312622	1.89
252.1269531	0.16
253.3735046	0.26
255.0598145	2.85
256.0866699	0.83
261.2336121	5.24
262.8214722	0.18
269.3167725	0.89
270.1195984	1.26
279.2325745	100.00
281.02771	0.57
288.0508728	0.99
296.8514404	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	527.283
Annotation	Unknow
Peak:m/z	Relative Intensity
168.0354919	0.60
169.1796265	0.05
183.9341125	0.03
186.0837402	2.39
187.1687622	0.18
207.2379761	0.49
210.1278687	0.10
226.0066223	0.19
228.3085632	0.03
229.3818970	0.03
238.2731781	0.04
240.3512268	0.03
242.2798157	0.16
244.1751099	0.27
255.5138702	0.02
257.3312988	0.02
264.1399536	0.02
265.1374512	0.02
266.3364258	0.02
268.2574463	0.04
269.3881226	0.06
271.1188965	0.12
275.0032959	0.02
281.0539551	0.06
282.5094604	0.04
295.2801514	0.12
299.3485413	1.17
300.2333984	0.14
309.2589722	0.04
312.5374146	0.05
319.0695801	0.08
325.4425049	0.02
328.3027344	0.07
339.2764893	0.03
348.1790161	0.02
353.2475586	0.05
355.4313965	0.21
356.2824097	0.06
357.5726318	0.06
365.2561646	0.07
366.3065796	0.13
367.2069702	0.07
368.2823486	0.09
370.5204468	0.75
371.4313965	0.08
380.3258667	0.05
394.3417358	1.85
395.4049072	1.15
396.6002197	0.02
398.5733032	0.02
408.1372070	0.03
412.3118286	100.00
413.4242554	28.98
414.4473877	0.10
415.5440063	0.03
422.4043579	0.04
423.7216797	0.10
432.2692871	0.13
432.9003296	0.03
436.0856323	0.05
439.4954834	0.33
440.0984497	0.01
441.3884888	0.23
442.7173462	0.03
446.1579590	0.18
451.8912354	0.06
456.3931885	0.12
465.3858643	0.16
466.9740601	0.06
468.5044556	0.05
482.2999878	0.47
483.4165039	1.47
484.3533936	0.70
485.5033569	0.25
491.4557495	0.08
492.2122192	0.20
509.3137817	23.78
510.2597046	7.44
511.0538330	0.17
520.0742798	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	562.8
Annotation	Unknow
Peak:m/z	Relative Intensity
206.7934113	0.78
259.0784302	1.28
274.7980957	7.36
290.7740479	1.18
326.8027954	1.07
342.8364258	6.26
394.7248535	0.24
396.7880859	0.28
399.2163696	1.29
400.0030518	0.68
410.7462769	19.37
426.6362305	26.94
478.6346436	100.00
479.2689209	2.09
493.1343384	0.51
494.6679077	33.47
495.2817993	1.36
516.2142334	1.34
516.8637085	0.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.0475
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
176.9863586	0.03
182.0602417	0.01
193.1213684	0.05
205.1508942	0.03
211.0892639	2.16
235.9965363	0.12
237.0519562	0.03
241.0602112	0.90
258.9293518	0.06
262.2077026	0.01
273.1134949	0.11
280.1278687	0.91
305.0941772	0.17
321.0455322	0.97
323.0250244	100.00
328.7770386	0.02
385.1421509	1.64
396.9413452	0.05
403.0330811	2.29
403.7623291	0.02
423.1801758	0.05
449.3419189	0.09
467.1512451	0.41
478.7212524	0.03
480.3479614	0.05
480.9685669	0.18
483.4707642	0.01
522.3445435	0.09
547.2006226	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	332.1332
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
107.9993896	1.11
115.9401016	0.34
123.1370087	0.04
124.1114502	0.09
134.0964203	0.29
135.9758453	1.76
144.8984985	0.04
146.6020813	0.04
148.2015381	0.03
152.0246887	4.25
153.9354553	0.17
156.4805298	0.03
161.9842834	0.04
166.0695953	0.06
170.0928192	6.46
171.1712189	0.06
173.1160583	0.13
174.2162018	0.10
181.9499207	0.07
192.2526855	0.03
194.0199585	0.10
195.1702881	0.02
199.0567627	0.07
203.0209961	0.27
205.1352081	0.04
212.1688843	0.06
213.6698914	0.12
217.0756531	0.14
218.2580872	0.19
242.0955505	0.05
244.7089844	0.07
252.5778503	0.10
269.5122375	0.09
270.1610718	0.06
276.2584839	0.02
278.1263123	0.08
285.8667603	0.18
287.0930786	0.07
296.1204224	0.19
314.1496277	100.00
315.2617188	0.08
316.1102905	0.14
322.6651306	0.57
323.5618896	0.21
325.7423706	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	814.68
Annotation	Unknow
Peak:m/z	Relative Intensity
258.8276672	0.83
274.7893066	0.69
358.7327881	1.04
410.5864258	3.07
426.7507935	3.32
442.4481812	0.91
478.7807617	0.51
494.5866089	14.98
510.5727539	27.54
526.6534424	6.71
542.2689819	1.37
562.7329712	5.39
570.8117065	0.95
575.9999390	2.06
578.5775757	33.13
587.3193970	0.79
594.6463013	10.22
608.8757935	2.15
645.8047485	1.87
646.5106201	45.68
658.8143921	0.46
662.0122681	9.95
662.6163940	40.05
678.6691284	3.81
729.5719604	0.61
730.4065552	100.00
731.0609741	2.25
746.6790161	12.10
767.9115601	2.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	369.1105
Annotation	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine
Peak:m/z	Relative Intensity
117.0751343	0.01
129.9722900	2.10
130.8690033	0.26
145.9501648	0.05
148.0112762	0.10
155.1196289	0.07
156.0616150	0.22
158.0118713	0.01
162.0633850	0.69
172.0947113	0.11
173.9680481	1.62
183.1011810	0.05
186.4608002	0.05
189.1173401	0.68
190.1446533	0.56
191.0867462	0.11
191.8829193	0.01
192.5323181	0.07
198.3350220	0.04
199.9059753	0.02
200.9832764	0.14
206.9941101	100.00
208.1060181	0.07
215.0478973	0.01
216.1916199	0.05
217.2365112	0.18
219.1140747	0.11
228.2062683	0.04
230.1739197	0.02
231.0886230	0.19
238.0876160	0.08
241.1579590	0.03
245.1759949	0.10
249.0669861	2.17
255.4969482	0.11
256.2667236	0.10
257.2355042	0.04
259.1979065	0.07
264.1790771	0.07
269.4002380	0.02
273.1839600	0.35
273.7976074	0.07
279.1355896	0.12
281.1046143	0.06
284.6689148	0.02
285.3602295	0.14
287.2116089	0.06
288.1817932	0.03
292.1149292	0.31
295.5097656	0.03
297.0634766	0.02
301.6727905	0.05
303.0873413	0.08
306.7498779	0.05
310.4244995	0.02
315.0177002	0.59
318.1583252	0.02
320.9787598	0.09
327.2169800	0.22
327.9796143	0.04
332.6033020	0.10
333.2338257	0.66
334.1258240	0.12
336.0648804	0.72
340.3133850	0.03
351.1092834	1.54
352.1946411	0.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	600.7
Annotation	Unknow
Peak:m/z	Relative Intensity
276.6450195	0.52
348.6359253	0.26
364.7860107	1.55
380.8108521	0.46
428.6895752	0.38
432.4858398	7.86
433.2604370	0.09
446.1737671	0.81
448.6570435	10.34
464.8662720	0.50
480.8239136	1.68
514.2598877	0.35
516.5917969	100.00
517.2965698	0.29
524.8092651	0.50
532.6031494	9.26
554.6334839	0.97
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	262.0568
Annotation	Ascorbalamic acid
Peak:m/z	Relative Intensity
81.0638504	0.06
82.0395966	0.11
94.1576996	0.13
95.9437866	21.81
98.0552216	0.47
98.9826813	0.09
100.9421082	0.06
111.0863342	0.07
111.7806549	0.06
113.0857391	0.19
114.0836639	0.26
114.9298706	0.21
116.0380859	0.61
118.8460846	0.10
126.0270996	0.25
128.0714569	8.09
129.0187073	0.74
137.9631500	3.37
140.0599518	1.22
141.9530334	47.27
144.0938568	0.42
146.1636810	0.53
147.1262817	0.19
154.1614075	0.03
156.0663605	4.07
157.9668121	94.91
159.1360779	0.31
170.1455536	0.85
172.0527954	5.91
174.0204315	0.49
174.9657288	0.32
182.1307678	0.59
183.1812744	0.12
184.1738739	0.09
188.0066223	2.08
200.0623627	14.78
202.0003510	100.00
214.1518860	0.17
217.9697418	24.10
219.0735321	7.05
226.1037750	0.32
231.9216156	0.46
244.0435333	5.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	399.1213
Annotation	Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
Peak:m/z	Relative Intensity
118.0720978	0.04
130.0840607	10.07
131.9920349	0.18
144.1080017	4.96
145.0296326	0.25
145.9693909	0.31
146.9998474	1.11
149.2373047	0.14
160.0235901	1.87
161.2641754	0.08
162.0810394	0.12
164.1580353	0.13
172.2850647	0.06
174.9116821	0.12
177.1384888	4.72
178.0752563	0.10
189.0935974	0.12
192.2286987	0.21
202.9773102	0.20
204.1014404	0.13
205.0417633	5.97
205.9162140	1.88
207.0611420	0.18
209.1730499	0.08
210.7512360	0.10
219.2458038	0.12
220.0492554	0.05
223.3087463	0.14
228.8828735	0.09
229.9981079	0.12
236.9811096	100.00
240.2897034	0.06
246.7496338	0.35
254.2309265	0.60
260.8575439	0.06
267.1441650	0.12
268.1587830	0.06
269.3300781	0.04
272.0380554	0.12
279.0509949	0.33
283.9926758	0.57
290.1915283	0.20
292.1073303	0.24
299.3111572	0.12
311.3798218	0.15
331.0502319	0.61
343.2828979	0.17
349.1946411	1.27
353.2651672	0.13
366.2516174	1.43
367.2026672	2.31
368.1307068	2.32
371.2854919	0.07
376.3091736	0.30
381.2074280	0.67
382.0365295	1.72
385.0346375	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
80.98344421	1.34
113.2295837	1.12
116.9464111	2.31
135.0777588	1.21
137.1273804	1.47
139.0471802	0.85
143.0536194	0.60
149.0679932	1.87
153.0684204	3.08
165.3317719	1.29
169.256546	1.12
179.201004	0.89
180.1577911	1.87
184.8207397	2.01
191.0312958	0.97
193.0091705	4.10
195.3106842	5.64
200.0622559	1.64
207.0992889	10.14
208.1441498	5.66
209.1740265	13.96
214.9625244	14.97
219.4075165	3.14
222.0662842	17.82
223.2447662	25.20
224.3627319	1.19
233.1857758	19.65
235.7241364	1.64
251.0644989	100.00
252.1397858	16.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	510.78
Annotation	Unknow
Peak:m/z	Relative Intensity
190.9328766	0.15
206.8417358	0.50
213.0146637	0.08
274.8236389	6.60
290.8327637	4.65
330.7919312	0.89
337.2222290	0.24
342.7108765	3.78
344.9160767	0.17
348.8596802	0.26
358.6803589	22.07
359.4275513	0.04
367.3781738	0.29
375.0437622	3.20
390.6207275	1.36
404.7974854	5.12
405.4304810	0.03
413.3995361	0.38
420.9473877	0.64
424.1799316	0.05
426.6105347	100.00
427.4223633	0.18
435.0994263	0.11
442.7030640	10.78
446.7279663	0.14
450.8120117	5.03
464.8081665	9.25
482.7294922	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	650.12
Annotation	Unknow
Peak:m/z	Relative Intensity
226.2546692	0.64
347.2961426	0.70
428.2192993	1.01
437.0216675	1.54
492.1361084	0.27
505.8770752	0.76
512.5315552	0.15
516.3854980	0.44
522.1629028	0.29
551.0292358	0.12
554.8374634	1.17
569.1526489	0.98
572.8299561	2.23
573.5872803	0.49
597.5827026	4.31
632.2519531	0.20
687.1232910	0.25
688.6318970	0.23
719.0408936	2.81
757.7331543	5.76
758.5975952	0.90
764.6630249	1.04
793.4994507	2.74
831.2484741	1.06
861.5097046	0.95
862.4714355	0.92
867.9738770	0.22
913.6350098	0.33
967.9508667	0.52
1169.7208250	0.61
1563.5101320	1.48
1578.5308840	0.18
1620.1717530	0.20
1648.7673340	0.31
1668.7482910	0.32
1684.5328370	0.51
1686.6959230	0.29
1695.8005370	0.20
1764.1468510	0.75
1789.6177980	1.12
1792.2752690	7.62
1806.0213620	7.19
1820.5284420	0.47
1822.5544430	0.35
1832.5377200	0.16
1835.4005130	1.40
1838.0933840	0.18
1863.6765140	1.02
1867.1213380	0.32
1870.5236820	0.42
1875.6636960	9.09
1883.9431150	0.28
1886.0509030	19.76
1890.6705320	0.29
1891.6716310	5.96
1894.9263920	1.05
1897.3215330	0.24
1898.0090330	0.20
1900.0262450	5.36
1904.7105710	0.88
1906.1931150	0.35
1911.3259280	3.15
1915.8607180	1.10
1916.4779050	0.21
1918.9688720	0.85
1922.6368410	0.66
1928.3284910	0.44
1929.3962400	5.01
1932.8424070	0.99
1933.4610600	3.11
1937.2897950	18.76
1940.4139400	7.35
1942.7004390	3.01
1945.7789310	2.06
1947.1353760	2.86
1950.0760500	1.63
1950.7877200	0.88
1953.6314700	100.00
1954.7135010	1.45
1958.5753170	0.72
1959.2229000	0.38
1962.3757320	0.44
1963.2081300	5.25
1964.6154790	0.91
1966.7404790	38.86
1967.4562990	1.17
1968.1018070	13.54
1970.1629640	2.86
1971.0603030	0.86
1973.1599120	24.65
1977.4024660	0.21
1979.1613770	17.03
1980.0286870	27.95
1982.1695560	12.92
1983.0953370	3.24
1984.0533450	1.16
1986.8226320	0.33
1987.8562010	1.17
1989.6646730	1.00
1990.5949710	0.16
1991.5008540	8.10
1995.5684810	7.20
1996.2340090	10.65
1997.9157710	0.15
1998.5549320	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	463.048
Annotation	4-Hydroxyglucobrassicin
Peak:m/z	Relative Intensity
129.8340759	0.02
132.0710144	0.36
133.0229340	0.07
139.0886536	0.10
142.2207336	0.13
144.0835266	0.55
145.2785492	0.05
145.9606628	0.05
147.9970856	0.10
155.8056488	0.23
156.8059692	0.12
158.0457306	0.46
159.0054932	0.13
160.0010986	5.89
161.0227051	0.80
162.9846039	0.17
169.0278625	2.27
170.0259705	0.39
176.0042877	2.76
177.0634155	0.12
179.1595764	0.04
185.2124329	0.19
187.0780640	0.76
188.1257477	0.11
188.8957825	0.02
190.1785278	0.05
192.9533691	0.03
195.2105103	0.25
199.2490540	0.02
201.1287231	0.09
203.0427856	0.16
205.0817871	0.53
205.9636383	0.10
212.0056763	0.03
214.9548492	0.02
218.7294006	0.15
221.0427246	2.19
222.1352844	0.27
225.1184540	0.04
227.2823944	0.04
229.3117371	0.07
234.8492584	0.08
236.1685181	0.03
237.0157776	0.10
240.0144958	11.51
241.0305939	1.46
242.0670776	0.12
245.0106201	0.15
250.1743774	0.08
251.1285095	0.06
257.1665344	0.03
259.0918579	8.37
260.0721130	0.63
267.0554199	76.22
268.0828247	5.84
269.1030273	0.32
270.1528931	0.27
272.0464783	0.16
274.0791321	0.46
275.1597595	2.12
276.1375122	0.14
283.1307678	0.04
285.0233459	100.00
286.0731812	7.51
290.9644775	1.55
301.0227661	0.62
301.9225159	0.06
331.2246704	0.04
343.1073914	0.04
355.0171814	0.03
357.3554688	0.15
365.1292725	0.03
374.4754333	0.06
383.1858215	7.07
384.2123718	0.39
386.2607117	0.28
387.1774597	0.76
388.2149353	0.18
390.0686951	0.11
400.1470947	0.90
420.2032776	0.12
427.7734985	0.19
429.1410217	0.11
433.0097656	0.11
434.2261658	0.04
436.1155701	0.02
445.1746521	0.13
445.9265747	0.03
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
99.1236343	0.20
100.9346313	6.17
113.0001526	21.12
114.8159943	0.40
118.9743958	14.22
125.1022491	1.01
129.6546631	0.09
131.0190430	8.57
142.9310913	18.70
148.9039154	4.55
159.1204834	0.49
160.9806519	18.11
170.9609680	0.23
177.4959869	0.18
178.9532013	100.00
199.1887970	0.17
220.9485474	0.29
259.1578369	0.46
267.2001953	0.39
276.5618286	0.27
280.7537231	1.44
323.3458557	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
108.8878937	1.45
112.8471603	0.31
114.7098389	0.40
121.0780945	1.46
122.9129791	1.06
131.1403046	0.71
135.0308838	2.54
136.6943665	0.49
142.9821625	0.93
146.8769836	0.29
149.4089203	0.25
151.286438	0.25
152.9108887	0.46
155.0589905	0.55
156.9855652	0.94
160.9668579	0.67
163.1107178	1.96
165.3108978	0.56
169.1062622	1.27
179.1473999	0.23
181.0513306	0.27
183.0780945	1.70
185.186142	0.17
187.1090546	3.41
198.9723969	0.64
200.2967529	1.46
201.2253418	0.67
205.2190247	0.90
210.7619629	1.11
215.0865173	0.76
223.329071	0.75
229.2218323	0.55
231.0700684	0.69
241.1795044	0.60
245.2088928	1.11
247.3147583	6.29
259.7127075	0.69
269.026001	0.19
277.2893066	0.56
283.4602356	0.53
287.3718872	1.09
299.3937378	1.53
305.2763062	2.57
323.231781	100.00
323.9229736	0.28
341.0060425	1.36
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
92.72857666	1.04
98.74365997	0.31
108.8612061	1.46
112.979538	1.63
114.8149338	1.22
127.1128387	0.33
135.1730347	0.44
137.227356	4.39
138.393692	0.77
141.0670471	0.49
142.849762	1.83
144.1699219	0.47
147.0508423	0.54
150.7352905	0.74
153.1835022	2.21
155.1826477	0.54
157.9620056	0.83
161.1769562	0.85
162.9385681	0.91
174.9874268	0.60
177.1851501	3.32
181.0521088	1.70
182.9107361	1.16
185.1114807	1.14
186.2393036	0.67
189.3249054	0.26
191.0960236	0.74
193.072052	1.47
197.1123505	2.04
199.0029297	0.86
204.8891602	0.60
207.5482178	0.38
210.1750793	0.36
211.0796204	0.83
212.2047729	0.57
213.0027771	1.47
215.1090393	1.28
221.0482788	0.41
223.0414734	2.92
225.0819092	2.21
226.9860229	0.23
229.2629089	0.78
231.4331665	0.28
233.1366272	0.50
237.2788086	1.31
238.9573669	1.49
241.0486755	0.34
247.25	0.67
249.291687	0.18
251.2234192	2.83
252.1352844	0.23
253.3450623	1.53
255.1487732	1.16
257.2256165	0.84
265.1411438	6.28
266.1592712	0.96
267.2076721	2.36
269.6330566	4.78
274.5838013	0.68
275.255249	13.65
277.2355957	0.49
280.8824463	0.31
282.2269287	1.06
283.1449585	1.36
286.7661743	0.36
290.6730652	0.39
293.2050171	100.00
294.0798645	0.80
295.0316162	0.81
301.0054932	0.46
302.5186768	0.55
310.5021973	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	494.81
Annotation	Unknow
Peak:m/z	Relative Intensity
190.9091339	0.22
206.9659119	0.42
258.8016052	2.38
274.8622131	8.66
290.7742920	1.41
326.9245605	1.21
342.7168579	17.10
343.3349304	0.04
355.9812622	0.06
358.7938232	16.16
410.6215820	100.00
411.2881775	1.25
426.7052307	30.80
448.1987000	0.10
448.9744568	0.05
476.9463196	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	602.8827
Annotation	Unknow
Peak:m/z	Relative Intensity
174.9232788	1.46
273.0883789	0.10
289.0945435	0.08
305.0104980	0.05
373.2528687	0.07
402.7608643	0.18
420.2163086	0.08
427.2312012	0.12
443.1069946	0.64
444.1356812	0.17
447.4771118	0.03
458.9273071	0.06
471.0874023	0.07
472.2528076	0.09
485.1397705	0.14
486.1572266	0.23
487.2064209	0.26
488.0528564	0.32
489.0102539	2.27
499.8944092	0.14
500.8188477	0.04
510.9424438	0.04
511.9578247	0.25
517.1055298	0.03
518.1593628	0.06
527.9935303	0.16
528.8511963	0.25
541.4755249	0.14
543.9017944	0.06
548.1069946	0.10
556.8588257	100.00
557.5769653	0.22
558.9608765	0.22
574.5117798	0.16
575.9837036	0.03
583.9413452	0.09
585.0720825	0.30
601.5628662	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	615.17
Annotation	Unknow
Peak:m/z	Relative Intensity
172.4172668	0.20
178.9547424	2.44
204.8319855	0.23
215.2195435	0.46
227.1516418	0.20
228.7609253	0.17
232.9713745	2.31
244.2263947	0.10
245.2591248	0.19
272.1750488	0.90
288.9369507	0.45
290.0964966	0.48
302.9905396	0.10
306.8529663	0.20
308.0966187	100.00
326.2890625	0.09
351.3825073	0.17
355.2840576	0.35
356.2640381	0.31
357.2339478	0.28
362.4324341	0.13
367.0563354	0.38
376.2888184	0.10
378.7706909	0.76
419.6725464	0.09
438.9389038	0.96
441.1014404	0.18
453.4541626	0.62
468.1422119	0.17
470.3239746	0.09
480.1272583	0.14
481.1149292	0.54
485.1864014	0.93
486.2670288	0.94
496.6691284	0.13
501.1544800	0.11
502.6171875	0.15
526.9837036	0.17
527.7975464	0.35
548.9413452	0.47
550.2551880	0.81
553.0812988	0.30
569.0814209	0.15
596.7142944	0.59
599.7239990	0.19
607.1178589	0.41
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	463.0482
Annotation	4-Hydroxyglucobrassicin
Peak:m/z	Relative Intensity
132.1280518	0.44
144.0436401	0.52
145.2637329	0.11
147.0364227	0.54
147.8536377	0.38
160.0737762	9.08
162.8993835	0.22
169.1020203	2.05
169.9004517	0.22
175.9914551	2.64
185.2024078	0.82
186.9492493	0.45
192.8699036	0.36
198.9067078	0.15
204.9230957	0.83
211.1192474	0.39
212.0945282	0.20
218.8985901	0.10
221.1334839	2.65
223.9617310	0.15
225.0666046	0.42
239.0952454	0.16
240.0538025	13.33
241.1093292	0.47
245.2028503	0.45
248.9239502	0.32
249.9384460	0.15
259.0458374	8.71
267.0391846	74.98
268.1553650	0.81
274.9775085	3.04
285.1069946	100.00
291.0052490	2.07
301.0297546	0.36
344.8706665	0.24
369.3541260	0.36
374.1149597	0.07
379.0793457	0.07
383.2196350	7.78
387.0960999	0.97
390.0041504	0.27
417.2666931	0.20
425.0535278	0.52
433.3193054	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	369.1105
Annotation	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine
Peak:m/z	Relative Intensity
130.0483704	1.45
143.1792297	0.05
147.9494629	0.05
148.9377899	0.09
155.9944153	0.04
162.0485840	0.44
174.1482544	1.09
189.0066833	1.28
189.9095612	0.38
191.0418091	0.11
192.2054443	0.05
201.1578369	0.45
203.1366272	0.09
204.9093628	0.05
207.0086975	100.00
208.1142578	0.07
215.0770416	0.10
231.2120667	0.22
232.0880737	0.09
249.1576538	1.66
266.0433960	0.07
273.1563416	0.10
274.1764526	0.12
281.8116455	0.06
283.0279541	0.09
292.2337646	0.15
296.8021851	0.07
315.2482300	0.76
317.8732300	0.04
320.3659668	0.16
327.0778198	0.06
333.1662598	0.88
334.0755615	0.04
335.2504883	0.21
336.0268250	0.26
336.6867981	0.12
345.1085815	0.03
351.1343384	0.96
352.1794739	2.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	369.1105
Annotation	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine
Peak:m/z	Relative Intensity
146.1766663	0.22
157.1473083	1.58
174.3232880	0.48
177.8537598	0.29
189.3851166	0.99
190.0464935	6.82
204.0800018	0.67
207.0333252	100.00
208.0885162	0.19
231.1201477	2.36
249.1813660	1.35
261.1818848	0.69
273.1165771	2.33
308.7692566	0.65
310.2231140	0.26
315.2350464	2.25
322.7700806	0.41
324.3780823	0.44
327.2186890	1.47
328.4190063	0.15
333.2892456	0.31
334.7881775	0.47
346.0719604	0.76
351.2303772	2.80
352.5146790	0.36
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
94.69584656	0.66
99.13920593	0.69
100.9282608	0.52
105.1142807	0.37
120.9035034	0.74
127.0938263	0.54
128.8493347	1.15
135.1550293	0.67
139.0610657	1.35
141.2117004	0.43
143.0121155	2.01
151.2016907	0.29
153.7129517	0.29
158.8508911	0.25
165.177536	0.35
169.1599426	0.29
172.7847137	0.62
181.0196381	2.09
182.2848816	0.41
183.0391083	0.87
185.2143707	0.39
194.9531555	1.04
198.9593353	0.23
209.1983032	1.55
211.0599365	2.48
213.2799377	1.13
217.0325012	1.02
218.8943176	0.79
221.0620117	1.65
222.9615784	2.38
224.1569824	0.68
227.3763123	0.25
228.9644165	0.87
232.9931946	0.88
235.275238	1.25
237.1692505	0.91
239.2858887	2.56
241.02948	1.53
245.0282593	0.77
247.1525879	0.61
249.1456299	1.28
251.3316345	2.17
253.0974731	3.02
257.2950439	0.94
259.3822632	0.18
263.1270142	1.00
264.1925659	0.44
265.180481	2.23
267.3228149	0.92
268.2971802	0.47
269.1593628	1.69
270.2086182	1.58
273.4030457	0.71
275.2648926	10.66
279.4298096	0.18
283.2678223	1.68
293.2182312	100.00
307.1530762	0.61
310.9113464	0.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	834.9001
Annotation	Unknow
Peak:m/z	Relative Intensity
256.1378784	0.47
271.9945679	0.08
273.2867737	0.09
274.1407166	0.10
290.1533813	0.05
291.2601318	0.26
315.2806702	0.22
329.3210449	0.12
334.1038208	0.22
343.1189575	0.09
347.5834656	0.38
360.0675049	0.33
361.1626282	0.26
362.4647827	0.14
366.2463989	0.18
378.0453796	0.13
390.4113159	0.30
394.8812256	0.18
402.5939331	0.53
408.2493896	0.09
412.3638306	2.81
413.2913208	0.66
448.2747192	0.39
456.4870605	0.18
457.5307617	0.69
467.8484497	0.15
477.8040161	0.35
483.4383545	0.15
486.8806763	0.37
488.3020020	0.32
492.2324219	0.22
495.1535034	0.11
497.4053955	0.51
505.5281372	0.17
506.2719116	0.18
509.3966675	0.15
511.2285767	0.09
512.3779907	0.55
520.9338989	0.26
529.1721191	0.10
530.1404419	0.90
531.5428467	0.18
537.3180542	0.10
546.6640625	0.27
547.4650269	0.34
548.2280273	0.21
553.4019165	0.82
556.5828857	0.84
557.7767334	0.16
559.5301514	0.12
561.9600220	0.34
564.3952026	3.27
565.2291260	0.73
570.8610229	1.74
573.5330200	0.18
582.3968506	2.90
583.3976440	0.93
587.2975464	0.62
589.4586792	0.20
593.1462402	0.77
600.6135254	0.26
605.6464233	0.19
623.9521484	0.07
630.7135620	0.10
637.3946533	2.20
638.6381226	0.17
643.3110962	0.14
646.4918823	0.17
648.4046631	0.21
655.0632935	0.37
656.3844604	0.53
657.2186890	0.67
664.0909424	1.88
664.8548584	0.88
669.0610352	0.50
673.0898438	0.10
674.3987427	2.49
675.3339233	1.39
676.2269287	0.39
679.3886108	0.15
681.5347900	0.12
686.9042969	0.57
687.5663452	1.46
689.1670532	1.04
690.5215454	0.38
692.3171387	26.45
693.4470825	4.89
694.3826294	2.43
699.1090698	0.55
700.6790771	0.15
702.5936890	0.25
705.4512329	0.12
710.6763306	0.07
711.3432007	0.05
714.2471924	1.94
714.8478394	0.06
721.5479736	0.44
724.4521484	0.29
729.4161377	0.16
731.7203369	2.87
733.1045532	2.66
734.0065918	0.32
738.1929321	0.13
740.6193237	1.97
741.2445068	0.26
742.1235962	0.12
743.5001831	0.71
745.7049561	0.57
751.8877563	0.15
753.5787964	1.01
754.8097534	1.04
755.7681274	0.59
757.9631348	1.08
758.6100464	0.15
759.3699951	0.21
760.4118652	3.22
761.1550903	1.49
762.5228271	2.03
763.2721558	0.59
764.1116333	1.72
765.2260132	0.68
766.4365234	0.66
768.1058960	0.10
769.6587524	0.40
770.7307739	1.60
772.0429688	0.24
773.1381226	0.49
774.7312012	1.23
776.4521484	1.22
779.7413330	5.01
780.3458862	2.16
781.5289917	0.06
783.7969971	1.50
784.4089966	19.35
785.4805908	0.89
786.1624756	0.82
786.7954102	0.12
787.7625732	0.08
788.8732300	9.67
790.2608032	5.00
791.3970337	4.62
792.3399048	0.44
793.2517700	0.31
794.5560303	1.73
795.3240356	0.22
795.9526367	0.12
797.1520996	1.88
800.1914673	2.72
802.0917358	1.46
804.8336792	1.50
805.5819092	0.24
808.5657959	1.15
809.2881470	30.51
810.8247681	0.14
811.5942383	0.23
812.2816772	0.51
814.1271973	1.73
815.4525757	0.44
816.5986328	0.96
818.7813721	1.76
819.6077881	3.60
820.3568726	4.94
821.6527710	8.18
822.7036743	1.11
824.3899536	0.37
826.4556274	0.60
843.6437378	1.43
844.6441040	0.87
846.0756836	0.60
849.6174316	0.53
850.8090210	0.07
854.8241577	0.14
856.2948608	0.29
857.4970093	0.56
862.3673706	6.43
863.3486938	2.42
864.6491089	0.41
869.8080444	0.85
871.3202515	0.26
876.8392944	29.37
878.2796631	0.54
879.0336304	0.21
879.9981689	0.07
881.0051270	0.20
882.8569946	100.00
883.6866455	4.42
884.7720337	0.73
886.6293335	1.88
889.1028442	0.95
889.9541626	0.16
890.5850220	1.45
892.0816650	0.64
894.5991211	0.69
896.4548950	0.32
898.7992554	0.39
899.6434326	0.31
909.4187012	0.11
912.6611938	0.25
915.9898071	0.11
917.5971680	0.10
918.2545776	0.29
919.6008301	4.01
920.2901001	0.79
925.5241089	30.15
926.5017090	1.72
927.8315430	0.13
929.3698730	0.14
931.9751587	0.26
934.2721558	0.46
935.6821289	0.62
937.4807129	0.19
939.7194214	0.37
943.5839844	0.22
946.3718262	0.36
948.0983276	0.23
948.7013550	0.98
950.6071777	0.20
951.8923340	0.21
954.4557495	0.96
955.8682251	3.03
962.0704956	0.28
963.0042114	0.31
973.9362183	0.12
975.6692505	0.12
978.2819214	0.84
979.2028809	0.27
981.3223267	0.92
981.9313354	1.77
983.1511841	2.33
983.8520508	3.90
985.2446899	0.55
987.2256470	11.25
987.9149780	17.24
991.2745972	1.14
993.1176147	0.44
993.8400269	1.15
994.4450684	0.25
997.2731323	2.98
998.0402832	0.99
1000.4487300	0.27
1001.0593260	1.13
1003.4990840	0.61
1006.5347290	2.85
1007.2088010	0.39
1008.0158690	0.48
1010.5591430	3.54
1011.6638180	2.03
1012.7638550	0.18
1016.6013790	16.23
1017.4577030	1.05
1018.4343260	0.77
1019.4954220	0.57
1022.4205930	1.20
1024.5932620	0.42
1025.6745610	0.14
1029.8360600	0.16
1032.5833740	18.89
1033.2703860	34.69
1034.5529790	0.60
1035.7442630	0.19
1039.3403320	4.61
1040.5148930	0.09
1042.1162110	0.27
1045.1298830	4.83
1045.8459470	2.60
1049.5396730	1.46
1051.1893310	12.22
1051.9053960	3.27
1053.3701170	8.74
1059.2139890	47.68
1060.2404790	2.04
1061.1711430	1.04
1061.7912600	0.41
1064.3836670	1.49
1066.8947750	0.16
1068.4146730	0.22
1073.0449220	0.97
1073.8242190	0.61
1074.6479490	0.48
1077.9785160	3.73
1078.6420900	5.04
1079.7601320	0.31
1082.0017090	0.65
1082.7563480	0.27
1088.7343750	0.20
1090.1145020	2.69
1090.8039550	0.78
1091.5688480	0.80
1094.8139650	0.20
1097.0745850	3.11
1098.2286380	0.37
1099.4150390	4.94
1100.3303220	0.28
1102.6998290	0.57
1107.8969730	0.27
1112.4876710	0.21
1113.1716310	0.12
1122.2315670	0.32
1123.2978520	0.36
1127.9548340	0.63
1129.9537350	0.18
1132.4536130	1.79
1137.1076660	0.12
1140.3144530	0.75
1141.4823000	0.33
1142.7570800	0.32
1143.7172850	0.45
1145.4526370	5.07
1146.5456540	1.79
1159.4003910	0.20
1163.6267090	2.80
1164.2850340	1.91
1165.2993160	0.78
1167.2749020	0.08
1181.9333500	0.62
1198.2595210	0.33
1199.0324710	0.38
1206.5764160	0.16
1212.4428710	0.19
1218.3642580	0.06
1221.3533940	0.38
1223.2150880	0.41
1230.6999510	0.08
1253.5594480	0.40
1257.5433350	0.36
1259.4451900	0.07
1270.3470460	0.18
1273.5001220	0.50
1274.8360600	0.32
1294.3588870	0.68
1312.9949950	0.05
1321.7098390	0.24
1327.9257810	0.10
1354.7314450	0.43
1357.0645750	0.74
1378.8980710	0.34
1421.2556150	0.24
1442.1256100	0.09
1442.7779540	0.61
1446.2396240	0.19
1488.4509280	0.33
1505.0760500	0.19
1507.8870850	0.07
1543.8303220	0.32
1544.7840580	0.21
1568.5445560	0.13
1588.8065190	0.55
1633.8043210	0.09
1641.0186770	0.10
1661.4444580	0.07
1681.7282710	0.20
1707.2481690	5.05
1736.1530760	0.11
1744.5718990	0.07
1748.6882320	0.19
1760.9830320	0.26
1765.4421390	0.11
1779.8902590	0.09
1804.8239750	0.08
1807.7044680	0.19
1814.7565920	0.11
1823.8358150	0.12
1831.4167480	0.32
1850.6989750	1.49
1852.9772950	2.59
1864.2847900	0.07
1870.0290530	2.19
1871.5089110	0.14
1876.8015140	0.22
1880.1868900	1.41
1884.7457280	0.73
1902.2438960	4.77
1904.3323970	0.10
1905.7633060	2.24
1907.6724850	0.19
1911.5134280	0.07
1922.9998780	0.10
1924.4118650	0.20
1931.8503420	1.50
1934.0091550	0.22
1936.2243650	0.30
1937.0491940	0.52
1940.5457760	0.15
1947.3063960	0.07
1951.3028560	0.10
1952.1638180	0.15
1956.9284670	0.18
1957.5562740	0.10
1962.9891360	0.58
1965.6970210	8.88
1967.5412600	0.53
1968.7323000	0.80
1973.0793460	0.50
1973.9222410	0.07
1975.5534670	10.87
1977.4532470	8.82
1981.1477050	0.17
1983.8640140	0.23
1984.7907710	3.66
1985.8668210	1.00
1988.6429440	0.33
1989.6629640	7.93
1991.3436280	0.10
1992.9841310	0.14
1996.2551270	3.99
1997.9919430	0.26
1999.7835690	2.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	372.0423
Annotation	2-Methyl-2-propenyl glucosinolate
Peak:m/z	Relative Intensity
111.8722000	0.65
115.3364716	0.34
116.6688538	0.20
119.0422745	3.03
128.9001465	1.00
130.0960388	5.10
131.0264587	0.95
133.0811920	0.34
138.8913422	1.45
144.8949890	4.32
148.9790649	0.23
163.1265259	9.67
166.9464417	0.44
171.9124908	0.66
175.9652252	2.48
179.0202332	2.43
180.9514771	4.75
182.9767151	0.23
191.8283081	0.29
192.9830780	1.59
194.0110626	7.64
194.9386292	7.51
210.1040802	2.35
223.1611938	2.71
226.9078064	11.40
241.0028992	3.38
253.5513306	0.89
259.0726624	100.00
259.8850098	0.37
275.0935669	36.19
282.0381470	0.55
290.9703674	6.31
292.1977234	22.42
292.9390869	0.70
301.1862488	4.26
338.2201538	1.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	516.82
Annotation	Unknow
Peak:m/z	Relative Intensity
180.7471313	1.12
197.0074158	0.98
213.3851624	0.07
264.9123840	13.85
274.5712280	0.09
280.6987610	5.65
345.7778931	0.13
346.9595337	0.07
348.1344604	3.22
348.7854614	58.02
364.5905151	15.35
365.3222656	0.12
379.6492920	0.15
380.5935669	0.28
384.2896729	0.18
430.2436523	0.25
432.5557861	100.00
433.3744507	0.29
442.8119507	0.08
448.4612427	0.70
469.4851685	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	271.2278
Annotation	(R)-beta-hydroxypalmitic acid
Peak:m/z	Relative Intensity
163.7613983	2.55
165.3259125	1.33
169.2136383	2.18
170.9740753	2.55
177.0529938	2.30
187.1697235	1.91
193.2265015	3.04
197.1874237	4.51
199.2524414	2.65
200.9415436	3.62
209.1162415	18.50
210.6749725	7.85
211.2767181	1.32
213.1561737	5.32
215.9289856	1.81
223.4037323	11.90
225.2693329	70.43
226.5188599	3.88
227.2374268	51.42
229.2455292	3.20
235.2059326	13.70
241.3595581	3.98
243.0540314	15.47
243.8989868	3.16
251.2432709	3.91
253.2108307	100.00
254.1764984	2.03
255.2940063	9.07
256.2348022	6.27
270.838562	1.79
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	331.19
Annotation	Inflexarabdonin I
Peak:m/z	Relative Intensity
106.8174591	0.16
108.9479065	0.84
120.6161194	0.57
147.0122681	1.17
155.0340424	0.43
159.1083679	0.56
168.1469879	0.34
191.5552368	0.24
200.8453217	1.46
204.940094	0.25
211.1948547	0.34
215.0911255	1.57
217.0707703	0.47
229.2955933	0.49
234.9817505	17.31
236.2009277	0.29
251.3154297	2.90
267.1724854	0.67
269.307251	2.62
270.456665	0.44
273.03125	0.36
279.1620483	0.27
281.6622314	0.27
285.0691528	5.75
287.1187134	2.59
288.0692749	0.68
289.329834	0.21
290.7806091	2.09
293.9152222	0.43
295.1395874	8.05
297.3427124	2.16
303.1625977	0.59
311.114563	2.59
313.1882324	100.00
314.0577393	3.98
315.295166	2.78
322.6094971	0.71
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	481.125
Annotation	FL 120C
Peak:m/z	Relative Intensity
138.9920807	0.07
143.1238098	0.11
149.0734558	0.04
160.0206299	0.29
167.0777893	0.10
176.9132233	0.28
178.9413147	0.54
184.0042419	0.31
209.7593231	0.07
212.9224701	0.09
214.2093811	0.04
228.9856262	0.14
235.9551392	0.06
254.1344910	1.24
256.1920166	0.04
257.1452942	0.13
272.1252136	0.85
273.1690979	0.02
284.8818054	0.04
288.1686096	1.76
295.1199951	0.05
306.0833740	100.00
310.1927185	0.08
315.1593933	0.07
356.9673767	0.05
363.2289429	0.22
365.0531921	0.19
373.0048828	0.06
382.1961975	0.14
383.3035278	0.15
385.1543884	0.05
393.2509155	0.24
394.9335632	0.11
401.2969666	0.30
406.9266663	0.21
407.8342896	0.08
409.1584473	0.09
419.6041870	0.11
420.2590027	0.04
429.9843140	0.09
434.1676331	0.28
435.0210876	0.42
436.0441895	0.96
437.2877502	0.23
442.1249084	0.15
444.0986023	0.12
445.2773743	0.07
448.1478271	0.06
449.4744263	0.14
450.8307190	0.09
460.9825134	0.16
462.2756958	0.29
463.0190125	0.38
464.3919373	0.05
466.2238159	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	516.8973
Annotation	Unknow
Peak:m/z	Relative Intensity
155.0192871	0.07
158.9946289	0.51
160.0370483	0.03
161.1307373	0.01
162.1037292	0.01
171.2593384	0.03
174.9254913	0.62
176.0560913	0.07
187.0855713	0.01
199.1313324	0.16
200.0728455	0.02
229.0493011	0.17
230.0243530	0.05
244.9313965	0.18
273.0313721	6.30
274.0869446	2.05
275.0197754	0.03
288.9830933	10.09
290.0914917	2.07
387.0202026	0.37
388.0057373	0.28
400.9963989	0.02
402.9663696	100.00
403.9417114	26.29
433.2754517	0.01
443.0334473	0.15
444.2318115	0.01
456.0565186	0.02
470.9835205	0.12
472.1387939	0.02
473.9973755	0.01
488.9938354	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	485.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
143.0006256	2.38
145.1168213	0.06
146.1170502	0.12
153.0880432	0.26
155.1718597	0.19
155.8778534	0.16
160.1558533	0.07
166.1530914	0.28
167.1024170	1.13
168.9361267	0.07
170.0887756	0.35
171.2161560	0.25
174.9393768	1.68
175.9679108	0.11
177.0733948	0.13
179.0911255	7.74
181.1323547	0.63
183.2425385	0.21
185.0625916	0.64
192.0710754	0.44
193.2629700	0.11
197.0311737	0.16
203.0375061	0.63
210.0941467	5.68
211.1191406	0.62
212.0245667	0.91
215.0923462	0.59
218.9873199	0.14
228.2087250	1.64
231.0682678	1.27
234.8232880	0.11
235.9603882	0.21
239.1304626	0.06
249.0872192	0.26
251.8548889	0.05
254.1296082	33.19
263.1662292	1.42
268.1667480	0.22
272.2158813	100.00
273.2180176	0.06
281.1775513	0.08
286.0236206	3.47
288.1811829	0.21
290.9823303	0.09
304.1173401	5.60
306.1953125	9.87
321.2531738	0.05
329.0054321	0.05
332.9074707	0.21
335.0926514	0.12
336.1535645	0.22
338.0830688	3.42
339.2298279	0.10
349.2687988	0.46
356.0584106	0.38
356.6788025	0.14
361.2053223	0.06
365.0460510	0.09
370.2278442	0.05
373.9721680	0.06
384.4705200	0.12
413.2242737	0.26
419.9864197	0.10
421.2018738	0.27
425.2539673	0.21
428.8811035	0.18
434.0988770	0.06
438.1788635	0.25
439.1484070	0.74
440.8294983	0.17
441.7751160	0.18
447.0219727	0.13
448.9449158	0.20
450.2026672	0.08
454.3707886	0.33
455.1927490	0.06
467.1065063	7.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
101.0955505	0.09
105.0058365	0.26
107.1336365	0.12
109.0043182	1.60
116.9018021	0.32
121.0485535	1.08
122.9698334	1.07
125.0305634	0.22
131.0731201	0.35
133.1531067	0.36
135.0793762	1.90
136.9216309	0.19
139.1013794	0.11
140.9215698	0.47
142.9125671	0.83
144.8349915	0.10
146.3141785	0.16
146.9926758	0.59
149.0445862	0.87
150.8939514	0.19
157.0054932	0.90
158.956604	0.83
160.9233704	1.43
163.1061401	0.36
165.0347595	0.29
167.3391418	0.87
168.7183838	0.47
171.2390442	0.14
173.1469269	1.12
175.0167236	1.75
177.1960449	0.94
179.0604248	0.15
183.1131287	0.43
186.8711243	0.58
188.9517975	1.35
190.9533081	0.15
195.7579651	0.07
197.0724945	0.23
199.7028809	0.43
201.0527191	0.21
203.0505066	0.97
205.2180481	0.69
207.1702271	0.26
209.0215454	0.12
210.7599792	1.23
215.252655	0.86
217.1441956	0.84
218.8421631	0.23
223.2082825	0.41
225.1999207	0.23
227.0135193	0.45
230.0030823	0.05
230.8718872	0.37
235.0782166	0.29
239.1113892	0.06
240.96521	0.53
243.2173157	0.06
244.2812805	0.09
245.2965698	0.74
246.654541	0.43
247.2692871	3.22
249.3652039	0.27
251.4907227	0.08
254.0292358	0.11
254.9517212	0.17
257.2853088	0.16
259.3068237	0.77
261.1821289	0.10
263.0290527	0.25
265.2202454	0.10
267.2581482	0.14
269.2225952	0.14
271.4429016	0.99
279.2628784	0.08
281.1466064	0.33
282.9960938	0.31
283.9628906	0.05
285.2893066	1.30
286.7368469	0.14
287.4832153	0.37
295.0350952	0.98
298.4451294	0.06
299.2915344	1.28
303.0018311	0.12
305.1773987	1.39
309.3085327	0.23
313.3695679	1.42
321.1834717	0.18
323.2378845	100.00
323.8386841	0.34
332.7532043	0.39
341.2622986	0.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.2543
Annotation	12,18-dihydroxystearic acid
Peak:m/z	Relative Intensity
110.8761444	0.36
113.1199036	0.42
127.2784119	0.88
155.0795593	0.39
176.7897034	1.84
179.1570435	0.45
187.2077637	1.08
197.045929	0.36
199.2960815	0.36
201.421875	1.03
206.9302673	0.47
227.1565552	0.39
230.8960571	2.05
235.4053345	1.62
237.2391968	1.09
239.1486816	0.51
243.8575439	0.27
247.0384216	0.27
251.4086304	0.69
253.3619385	25.66
255.187439	3.50
257.2432251	1.38
257.9828186	1.05
261.4345703	0.97
269.1449585	2.21
271.1515503	6.81
271.99823	1.92
272.8609619	1.29
276.0126343	0.50
276.875061	0.73
279.2536011	1.13
287.1611023	3.25
297.2419434	100.00
297.9389343	0.27
298.5423279	0.54
299.2340088	0.81
300.1578979	3.32
301.0470581	0.54
307.0178833	0.93
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	310.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
98.8465347	0.01
111.0947037	0.01
129.0570679	0.05
159.0102081	0.20
161.9084625	0.05
162.9475555	0.02
167.3179932	0.03
171.1316681	0.01
174.9433289	0.02
177.9108887	0.01
188.7311249	0.04
198.0077820	0.03
200.0314484	0.02
204.1375732	0.03
207.0769958	0.05
209.0889587	100.00
210.1600647	0.03
211.1510315	0.03
212.1194153	0.05
219.0744324	0.17
219.9513550	0.02
222.2173767	0.01
229.1044006	0.07
236.4134827	0.02
238.0219727	0.06
247.1743164	0.01
247.9708862	0.06
250.4235229	0.05
255.2672119	0.02
259.9708862	0.32
261.3334045	0.02
262.0867920	0.02
262.9243164	0.06
263.9276123	0.06
264.9752502	0.07
266.2425537	0.03
275.2442627	0.01
280.9951172	0.01
282.1151428	0.02
290.9109497	0.10
292.0377197	0.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	783.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
227.1612091	0.07
233.0076447	0.02
259.0648804	0.37
260.1922913	0.02
275.0863342	0.52
291.0660400	0.03
292.2664185	0.15
311.4406433	0.02
346.0133057	0.07
372.0766296	100.00
373.1297607	13.88
427.0249634	0.03
473.8732910	0.11
491.3303833	0.03
507.9350586	0.14
548.0078125	0.09
670.1015625	0.17
685.6449585	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 B
Peak:m/z	Relative Intensity
97.12115479	0.74
104.9465179	0.36
108.8812408	0.52
111.0559158	0.33
123.2395401	0.33
133.1352997	0.72
135.0296936	1.54
137.0201416	1.74
138.8170776	1.34
140.7513885	0.49
149.3643188	0.49
153.1066132	1.98
154.9411926	0.40
165.2828979	0.56
168.8770142	0.33
172.8489075	0.36
179.0343018	0.36
183.0725403	3.60
193.1585999	1.57
196.9267578	2.42
199.4407959	0.95
207.2585144	0.95
211.2365723	5.16
221.211853	2.15
223.2447815	0.37
225.0861511	0.34
229.1291809	1.16
233.1377563	5.17
237.1030579	4.37
239.0472717	3.78
241.2399292	1.42
243.149231	2.29
251.1331482	6.84
255.7441406	2.20
257.3068848	2.18
261.2249146	3.96
279.2392883	100.00
288.5068054	1.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
97.08724976	0.21
105.0954132	0.18
106.9523773	0.67
109.0219193	0.97
110.8436813	0.83
117.0377197	0.41
118.8982544	0.49
120.9459076	3.28
123.1114731	0.39
133.0715942	0.09
135.0355072	1.28
137.1507263	0.66
142.913208	1.27
146.87677	1.68
149.1808777	1.98
151.2356262	0.16
156.9533997	0.58
158.9757996	1.25
160.8802948	1.67
165.0043945	0.36
168.9580383	0.67
171.220932	0.35
173.0226746	0.60
175.2178345	0.81
176.9637299	0.17
179.0683136	0.17
183.1650696	0.16
188.9453583	1.49
191.3005981	0.56
197.1242523	0.32
199.1645203	0.23
201.3632965	0.48
203.3253174	1.00
205.0755768	0.56
208.8673706	0.91
210.9380798	0.75
215.0333862	0.50
217.1090393	0.88
225.2165222	0.14
226.8253784	0.45
230.9723206	1.52
234.8923035	0.16
239.2786255	0.86
240.0979919	0.33
241.6269836	0.08
243.2390137	0.14
245.2987061	1.88
247.1308899	4.07
252.3050232	0.14
254.4370422	0.20
255.1962891	0.32
257.0663452	0.79
258.6337891	0.35
263.4671631	0.37
265.321167	0.26
267.3427124	0.37
271.1412964	1.12
272.1990356	0.21
277.2971802	0.35
281.1177368	0.47
281.882019	0.32
283.1495667	0.18
287.0716248	0.30
292.2421875	0.45
293.1248474	0.39
295.309082	1.60
296.3136292	1.54
297.3375854	0.93
299.1801758	4.01
302.9342957	0.23
305.1783447	4.01
309.0849304	0.13
312.7861938	0.22
313.6647339	0.13
323.2470703	100.00
324.1488037	0.64
324.9950256	0.36
340.3175354	0.16
341.1855469	1.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2878
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
130.7806244	3.80
133.1077271	1.92
135.0561676	4.85
139.0955658	3.07
146.9470215	5.59
151.2016296	2.53
167.279541	3.29
179.3036346	2.18
186.9999237	6.60
191.1263733	1.75
199.1142883	2.78
205.1448669	10.76
224.2357483	1.54
227.1090393	6.80
237.3772888	1.67
263.3521118	7.41
268.8036804	2.69
280.9273682	2.82
281.5974731	5.76
282.9547424	4.35
285.4506531	3.92
296.9685059	1.67
319.1440735	3.70
324.3392029	2.28
326.5001221	7.45
329.1033936	7.12
335.8574219	5.36
338.4192505	1.80
339.4543457	13.50
340.1552734	1.79
346.9798584	2.43
351.1099243	1.41
355.0397644	1.16
357.3391113	4.21
362.2361145	1.41
363.1452026	5.60
366.2635193	3.32
367.5097046	5.00
369.4090576	6.73
373.2415161	1.03
377.3301697	2.94
378.0574951	3.92
380.09729	9.97
381.3685913	7.85
383.2796936	1.54
384.4485474	4.60
388.3416748	6.14
391.6019592	4.21
392.2123108	2.17
395.2542114	8.91
397.2912598	4.14
403.3344421	16.54
407.6257935	16.12
408.271698	100.00
409.3486023	4.40
416.7489929	5.21
417.5112	7.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	413.1404
Annotation	t(6)a
Peak:m/z	Relative Intensity
135.6425018	0.18
154.7942352	0.18
205.1940308	0.16
213.1578674	0.67
225.0647583	0.33
268.1206665	1.34
279.058197	0.21
281.1049805	100.00
293.7414246	1.13
300.5939331	0.77
315.3892212	0.32
371.624054	0.31
395.3304749	2.27
397.4216309	2.91
404.3034363	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	374.1072
Annotation	DIMBOA-Glc
Peak:m/z	Relative Intensity
116.1760254	2.48
119.2702713	1.16
123.2016678	0.47
128.9782562	1.28
136.0660095	5.77
147.0057983	0.43
148.0256805	3.34
150.0961304	0.82
164.8661499	10.98
171.0830688	1.24
180.0026550	2.15
182.0562439	100.00
184.8311157	0.62
187.1147766	0.79
189.0731354	0.44
197.8442078	1.14
199.2305603	0.44
209.0992432	0.50
210.2562256	0.78
212.0778961	5.66
225.9443359	0.44
227.1029663	6.95
240.3327026	1.14
241.5264893	1.31
242.3005371	1.27
247.6506042	2.13
254.0715332	2.71
255.1509094	0.79
256.1482544	0.58
258.0625610	0.58
259.0980225	1.74
260.2749329	0.82
276.0836792	0.44
285.5030212	0.51
286.2777710	0.37
287.4146423	1.62
293.4639282	0.51
294.2320557	0.90
306.5898438	0.55
310.2312317	3.22
320.7570801	0.72
337.2441101	1.39
338.1590271	2.47
340.9576416	3.26
342.2489319	0.33
347.4530334	1.04
355.5506897	11.23
356.2236633	23.46
356.9707031	0.65
360.0045776	3.04
362.5184021	4.23
365.0032043	8.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	261.15
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
93.00478363	0.07
94.86216736	0.09
119.0453644	0.18
123.0215912	0.12
151.329422	0.08
160.9309235	0.30
171.0304718	0.18
176.9649048	0.23
179.1207275	0.11
185.9867554	0.09
202.9311066	0.21
215.0012207	1.40
217.0688019	0.71
219.3207245	0.18
220.0201263	0.25
222.7506714	0.24
225.2194977	0.54
227.6935883	0.43
230.8497467	0.08
232.8215485	0.07
234.0934906	0.09
241.312149	0.22
243.1319733	100.00
243.9681854	0.80
245.1174316	1.89
246.0960541	0.27
261.3707275	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	258.9
Annotation	Unknow
Peak:m/z	Relative Intensity
122.7967377	85.33
174.8171387	0.60
187.3431549	0.33
190.8290100	100.00
214.7169952	0.65
217.7873077	0.45
231.1582794	0.42
265.2985840	2.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.0475
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
158.6972961	0.14
200.1562195	0.14
211.1167908	1.84
223.120575	0.86
232.273407	0.27
233.0583191	0.21
240.9730835	1.42
280.1807861	0.76
302.5553589	0.45
304.1171265	0.08
321.1147461	0.82
323.031311	100.00
324.8742676	0.08
344.5065308	0.06
353.9103394	0.33
371.0210571	0.19
371.9974365	0.33
375.8488159	0.10
379.0108643	0.07
381.1803589	0.12
385.2277832	2.63
396.4685059	0.07
403.1558838	2.61
421.1956177	0.38
428.9615479	0.23
435.9937744	0.24
442.8084106	0.35
443.8042603	0.11
448.5425415	0.14
453.2020264	0.15
456.7576904	0.09
458.1519775	0.11
459.010437	0.07
467.272522	0.89
474.5864868	0.31
480.8424683	0.16
501.3409424	0.32
502.1270142	0.52
505.0623169	0.32
505.7391968	0.09
518.6586914	0.14
520.3079834	0.21
521.3359985	0.25
522.4598389	0.12
528.5591431	0.80
529.2185669	0.22
545.3573608	0.10
547.3126221	0.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	414.252
Annotation	Unknow
Peak:m/z	Relative Intensity
166.1557312	0.19
188.6617432	0.32
189.3425751	0.31
209.2368774	0.17
214.9104004	0.40
226.9066925	0.19
228.9048157	0.31
231.0312195	0.10
242.9979553	0.25
256.2132568	1.44
256.9847107	0.23
274.7882996	0.25
284.0220032	9.21
285.0577698	1.65
291.2662354	0.13
303.9678955	0.14
312.2370911	0.23
317.2495728	0.18
320.0800476	0.53
320.7073364	2.92
324.0733032	0.25
329.1931763	0.51
351.3121643	0.35
353.7639160	1.28
357.9132996	3.46
363.0281372	4.31
363.6716003	0.05
368.9059448	0.87
376.7752991	100.00
377.8706360	4.32
379.5102844	0.65
380.7211304	0.52
382.7292786	0.40
396.1226807	1.19
397.2132263	3.58
398.0553589	0.46
405.2140808	2.28
405.8605042	1.21
406.7029114	0.15
415.6110535	0.46
424.3428345	0.26
431.3843079	4.64
432.4896545	1.12
509.0712280	0.12
527.1668701	0.21
544.3572388	25.95
545.5289307	4.77
621.4524536	0.38
622.4039307	0.18
623.2400513	0.45
639.2506104	17.16
640.3547974	2.58
752.5352173	2.88
753.6112671	1.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	516.74
Annotation	Unknow
Peak:m/z	Relative Intensity
274.4187012	0.16
280.9775391	1.00
296.7307739	0.44
338.9229126	0.27
342.1037598	0.22
348.8897705	3.47
362.7653809	0.29
364.8435059	28.96
380.6911011	8.55
418.4528809	0.26
428.7582397	0.28
431.1779785	0.18
432.7973022	100.00
448.7477417	18.59
472.5280151	0.15
498.1373901	0.84
499.1705933	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
94.97235107	0.34
108.9368362	1.00
115.0299072	0.76
120.9798355	0.50
124.4868546	0.64
127.0793762	0.22
129.0141602	1.20
131.1489105	1.14
137.1038818	0.32
140.7510986	0.89
153.0463562	2.26
154.8241882	0.63
157.0745239	2.55
161.1278992	0.29
162.9815979	1.62
167.1055908	0.99
169.0245972	3.12
177.247467	1.26
179.4088135	0.66
180.896698	2.75
183.0351257	2.58
186.8801575	0.31
189.2216644	1.37
192.6440125	1.65
194.933136	0.50
197.1508026	4.53
199.1142883	1.05
201.3875732	0.42
203.1451111	0.58
209.2522278	0.98
211.1505737	5.28
213.2368469	0.58
214.9360657	0.87
217.2166138	0.27
225.1483765	0.53
227.0999451	1.58
233.0245972	0.76
235.2441406	1.83
237.0370483	0.37
241.2129822	0.42
247.2228394	0.45
249.0509644	0.52
250.024353	0.63
251.2307129	5.71
252.5839844	2.16
253.2509766	9.78
255.0494385	1.91
256.8919067	2.40
265.3145752	0.42
266.6671753	1.07
267.4464417	1.43
269.1797485	3.85
270.03479	1.24
273.5265808	0.50
275.34021	15.20
277.3189087	1.05
279.0988159	0.29
282.9224243	1.05
293.2151184	100.00
294.2747498	1.51
295.1400146	1.55
302.2523193	0.89
310.1080627	0.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	319.19
Annotation	Testolate
Peak:m/z	Relative Intensity
108.9891205	1.49
123.0886536	0.75
127.1819916	0.69
150.9338074	0.63
152.7953796	2.08
160.1498718	2.29
161.0442047	0.88
170.6792755	1.71
175.0295563	0.92
179.1014709	2.04
183.3781433	0.82
185.1161499	2.40
190.9054565	0.74
197.0051575	0.63
203.7165833	5.63
207.039093	1.47
219.2585144	1.04
221.1728516	1.00
223.1154785	4.93
241.1689758	15.04
243.0192871	4.86
247.1890259	4.77
257.2655334	17.94
259.3206787	6.87
261.8492432	0.98
262.7149658	0.70
264.234375	2.16
267.354126	1.33
271.183197	4.46
273.241272	3.29
275.1950989	5.89
281.0767517	1.63
283.1916504	17.43
284.1091919	1.45
285.046936	10.30
288.9796143	1.10
291.0655823	1.16
299.3400879	8.00
301.174469	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	436.0409
Annotation	Glucoraphanin
Peak:m/z	Relative Intensity
127.9557037	0.04
128.8175812	0.30
139.1522369	0.02
144.9736023	0.02
153.0745544	0.02
163.0156555	0.08
168.8247070	0.08
177.1233826	0.51
178.0432129	0.83
193.5202026	0.02
194.1741333	0.21
195.1464539	0.21
207.0069122	0.04
209.6672363	0.05
214.2115173	0.05
216.0881653	0.03
220.2835083	0.02
223.1320801	0.03
223.8055420	0.02
225.3185120	0.02
227.1173706	0.35
239.1670837	0.02
239.9968872	0.08
241.0108948	0.07
242.9552917	0.11
245.0962219	0.10
255.8527527	0.08
258.0864868	0.80
259.0443420	4.91
260.0680542	0.23
272.1300964	0.04
273.2210388	0.07
275.1357422	0.93
288.0486755	0.06
291.1066589	1.21
300.0384216	0.08
300.9564819	0.02
306.1678162	0.29
307.2742310	0.12
308.0571899	0.14
311.1442261	0.07
315.8101196	0.02
330.2138367	0.03
331.0498352	0.06
337.9995422	0.08
339.3770752	0.14
345.4888306	0.02
356.1753235	0.68
357.2544556	0.10
362.0590210	0.02
372.1062317	100.00
373.9899597	0.03
383.3605042	0.19
390.5453491	0.17
391.3206482	0.10
401.5718384	0.09
417.0789490	0.47
418.1443787	0.20
421.1434631	2.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2871
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
128.9815826	3.64
139.1240692	2.74
141.2263794	6.76
153.0751801	4.93
157.0686035	10.35
170.9134827	2.47
176.422348	5.09
208.8132324	16.32
217.6889496	20.43
225.2608032	3.80
229.0657043	5.87
234.9504395	4.64
237.1048279	9.22
243.1482239	7.43
245.1904602	5.98
251.0075684	5.16
252.7233276	3.64
253.3949585	6.71
280.2824402	3.64
281.4219666	2.78
283.1534424	5.65
294.4114075	9.58
296.3485107	2.52
300.0276489	9.01
307.267334	3.81
314.6577454	7.13
319.3765869	7.07
326.0758057	6.76
328.9650269	8.06
331.3233948	14.41
333.4140015	2.96
337.2345276	11.46
339.1398926	8.02
348.2990723	7.74
352.2695923	1.63
356.0943604	10.63
357.2573547	6.01
361.0050049	14.48
363.2571411	13.45
365.4588928	5.07
366.270813	21.58
368.1779175	2.10
370.3104553	4.01
374.8414307	3.20
380.983551	8.43
388.0420227	5.19
390.2707825	17.85
395.5322571	6.67
407.0031738	2.97
408.2783508	100.00
409.2663879	16.99
410.0115356	8.69
425.5528259	10.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	345.1187
Annotation	3,4,5-Trimethoxyphenyl glucoside
Peak:m/z	Relative Intensity
118.9105606	0.04
126.9220428	0.09
143.1420898	0.19
161.1719971	0.13
178.8838348	0.11
183.1591797	0.18
185.1126099	0.08
197.2424774	0.07
211.0012512	0.22
216.1330872	0.18
225.0382385	0.04
226.9204712	0.15
248.6744385	0.16
257.3799438	0.08
259.0043945	0.11
271.1282959	0.08
273.2515564	0.20
277.0958252	0.22
280.9269714	0.33
283.1203918	0.40
285.0016174	0.35
286.1384277	0.24
297.7939758	0.27
299.1223450	100.00
301.1771240	0.75
308.3678589	0.15
309.1778259	0.28
310.5205688	0.12
311.2183228	0.12
316.5291443	0.25
326.2890320	0.28
326.9288940	0.88
327.6784668	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0711
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
133.0200806	0.24
146.2160187	0.34
149.0193329	1.59
164.9179993	0.64
168.9741058	1.27
173.029892	0.36
179.0053558	0.34
180.0463715	1.37
181.0616455	2.00
193.0106659	1.48
195.3308868	0.54
196.1841125	0.29
206.1628723	0.86
207.1498108	8.74
208.1316833	5.61
208.9733276	1.58
222.1622162	5.79
223.0591278	10.22
224.0317535	1.63
251.0712891	100.00
252.205368	12.97
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.0861
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
133.0023499	1.91
160.842804	1.91
176.1376648	2.79
176.9571075	3.07
179.428894	1.09
205.9657135	3.86
207.0629883	100.00
208.9193726	1.08
223.2290344	11.40
226.0944824	2.65
235.1052246	2.55
239.1213684	1.54
245.1411743	1.95
247.1681824	0.82
253.2131348	1.36
257.483429	2.37
259.5595703	4.75
263.5473633	1.18
268.3779907	1.18
277.3421326	1.02
284.3698425	2.61
287.2965088	1.00
295.2802124	3.97
296.8194275	3.81
305.296875	1.69
312.484375	5.27
322.1856384	5.19
323.2266846	16.82
324.1882019	2.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	261.15
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
108.9133301	0.07
110.9330597	0.21
142.9605103	0.08
146.927536	0.17
172.9967651	0.26
175.0224762	0.26
181.2743073	0.24
183.0083618	0.24
186.975174	0.12
197.302063	0.28
198.8771667	0.08
202.835495	0.75
215.0300446	0.65
216.865921	0.54
219.934845	0.21
221.9800262	0.27
222.9634094	0.25
223.9664764	0.08
225.1196899	0.44
225.883194	0.37
226.986496	0.16
233.3836823	0.39
240.7058716	0.14
243.137558	100.00
244.0037079	0.35
245.0154419	3.46
246.2038116	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.242
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
94.98513794	0.45
96.97328186	0.62
107.1242905	0.24
109.1194382	0.64
110.8804474	0.31
119.0658493	0.21
120.9618759	0.25
123.0413055	0.61
124.9392395	0.31
133.1662903	0.46
137.3193817	0.16
139.0215454	4.97
145.2808838	0.35
146.9954376	0.47
149.0472565	0.70
152.7234192	0.83
155.1134033	0.47
156.6334229	0.17
161.3247375	0.15
163.1669769	0.36
164.8960114	0.55
168.8235016	0.46
170.7690735	0.17
179.1024475	1.21
183.2174835	0.19
186.8925476	0.31
189.2404785	0.10
192.9701385	0.63
197.0905151	8.40
198.883606	0.22
200.8561096	0.66
203.2893677	0.81
205.1454468	0.81
209.2383118	0.29
211.0518188	2.27
219.3140259	0.94
221.2728271	0.85
223.0350647	0.64
225.1455688	1.11
226.0674438	0.17
227.0461121	0.12
228.9568481	0.11
233.5370483	0.15
237.2503967	3.09
239.1916199	16.07
241.1571655	0.30
243.2742004	2.00
247.354187	0.29
251.2903137	0.35
252.1958008	1.05
253.147583	1.13
254.2456055	0.42
255.163269	0.79
256.8932495	1.17
259.9708557	0.38
261.2395935	2.29
262.4541016	0.14
269.0666504	0.36
271.3245239	0.38
279.2258606	100.00
280.1838989	0.15
281.2392578	0.61
287.8418884	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1004.9461
Annotation	Unknow
Peak:m/z	Relative Intensity
766.3260498	2.20
872.1367188	1.79
919.6644287	1.61
943.7788086	4.83
944.6405029	4.94
957.0139160	0.70
961.8492432	0.49
971.0947266	2.23
978.8414307	0.53
986.4293213	2.90
1070.5302730	6.59
1071.3878170	2.99
1072.5543210	0.41
1082.5644530	2.24
1084.7080080	1.54
1100.1225590	8.18
1134.9168700	17.24
1135.6440430	3.66
1190.3640140	2.08
1203.6580810	6.38
1232.8861080	4.61
1253.1855470	1.92
1261.5312500	3.25
1301.4235840	1.63
1316.9560550	0.37
1355.6523440	0.87
1369.8392330	2.53
1651.8997800	0.62
1687.8131100	0.53
1692.7165530	2.98
1699.8851320	0.33
1714.4342040	4.06
1720.2410890	0.45
1742.2593990	7.55
1812.1400150	0.37
1847.1453860	2.16
1853.0461430	73.33
1855.6950680	0.49
1866.6453860	1.40
1870.6364750	0.78
1872.6519780	0.69
1885.3024900	1.84
1894.3282470	0.45
1896.1776120	0.90
1903.7491460	0.65
1911.5548100	4.68
1913.7562260	0.98
1915.0518800	1.23
1920.0926510	0.45
1932.3084720	3.49
1934.3308110	0.98
1938.6705320	1.98
1946.8104250	0.41
1948.8005370	0.77
1958.4245610	39.88
1965.6859130	100.00
1969.6226810	0.77
1971.5886230	19.26
1974.7551270	22.41
1979.0183110	1.52
1981.0946040	0.45
1982.1456300	1.81
1982.7883300	0.93
1983.8658450	4.25
1989.5852050	7.18
1990.4870610	8.88
1996.4532470	0.37
1999.8142090	0.49
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
137.3115234	3.00
139.0632324	2.09
144.7803345	0.76
160.8049622	1.97
166.1229248	2.15
177.1451263	1.33
189.1240387	2.62
207.2692871	0.84
211.2670288	10.24
215.3518066	1.32
216.5585938	1.25
221.1867065	0.93
229.4373169	5.43
232.5829773	2.65
233.2391663	2.07
253.0899353	6.81
253.9146423	1.00
257.0919189	2.06
265.3244629	2.63
267.0745544	6.49
274.9883728	17.86
287.6816101	0.93
290.2593994	4.85
293.2147217	100.00
311.9324341	1.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
93.03099823	0.14
114.9494324	0.31
126.7957153	0.32
137.0190582	100.00
141.8014832	0.18
166.7063141	0.35
171.1990814	0.14
183.1307068	0.27
184.9857483	0.58
203.2035217	0.18
204.9795227	3.02
207.1116028	0.29
209.1249084	3.55
210.8822632	0.31
213.0504456	0.21
227.2519836	0.17
237.3816528	0.99
239.1634521	0.88
240.2609558	0.42
241.0327759	1.08
242.1325684	0.32
253.0250244	1.82
255.0007019	1.77
257.2977295	0.31
262.0859375	0.23
263.0813599	0.99
263.8538818	0.27
269.1101074	0.24
279.0315857	0.66
281.0838623	4.86
282.3642578	0.56
284.0016174	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	245.0432
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
78.8601685	0.87
96.9632721	0.34
98.9912872	0.17
130.2327576	0.06
150.9057465	0.31
152.9236908	100.00
170.9420166	7.21
226.0290375	0.03
227.0561981	0.10
228.1638641	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	410.85
Annotation	Unknow
Peak:m/z	Relative Intensity
122.8076172	0.44
190.9025726	3.36
207.0785217	0.84
217.0026093	0.33
258.8111267	25.67
274.7591248	100.00
308.2448730	0.41
326.7388306	5.72
327.3477173	0.10
342.7872314	10.38
347.9119263	0.23
350.2221680	0.08
351.6571960	0.58
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
92.81330872	0.93
96.61170959	0.35
99.40355682	0.70
101.0803528	0.25
108.9608154	0.45
115.2695618	0.52
123.1493149	0.62
124.1555023	0.20
129.9237823	0.54
139.131012	0.61
143.1367493	0.39
154.7313843	0.54
157.2046814	0.22
163.0888672	1.40
164.6676483	0.67
168.8780518	0.47
171.2071686	0.65
172.6968384	0.39
174.1410828	0.33
175.0855103	1.47
181.3183441	0.75
183.2431641	0.88
191.2932739	1.17
193.0846863	0.68
194.8512878	1.44
197.0952454	0.65
203.1069946	0.37
207.1489868	2.29
209.162262	0.27
211.1473389	1.86
213.2454529	0.52
219.2175903	0.58
223.2302246	1.73
225.1789856	0.67
227.3173523	0.65
233.2302551	0.63
235.2367249	0.78
237.1343689	3.65
239.3379211	2.35
240.5097351	0.87
241.1807556	0.18
249.4285278	1.39
250.0926208	0.72
251.067627	3.96
253.0645752	5.02
256.9749756	0.66
264.9216309	3.60
266.0982056	0.24
267.4040527	2.89
269.3034668	1.59
270.0628967	0.68
275.1731567	12.63
279.4301147	0.26
283.1459656	2.90
284.5874023	0.86
287.7385864	0.39
293.2104187	100.00
294.2147217	0.84
302.4890137	2.42
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
128.957489	0.25
141.2235413	0.18
163.0238342	0.36
168.878479	0.24
170.8921661	1.40
172.7984924	0.47
183.2489014	0.53
185.1681824	2.44
187.2061157	1.80
199.1132812	0.80
200.0880432	0.20
201.09729	1.08
203.0302887	2.13
213.2490845	1.36
215.1403198	0.97
216.9798279	0.30
224.9301453	0.51
227.5093384	0.43
229.2445068	1.41
231.5114136	0.25
236.996521	0.45
241.3566589	1.92
243.0578308	6.74
245.0613708	2.23
247.212738	0.50
255.239563	2.44
257.2540894	4.57
259.1327515	0.75
260.0144653	0.85
263.4048767	7.16
267.3432007	0.93
269.1495667	0.79
271.2267761	5.57
273.5098267	2.05
276.9700623	0.23
281.0893555	0.24
283.2847595	1.43
285.3523865	5.64
286.2021484	2.57
287.3466492	1.09
295.5411377	0.24
297.2971191	8.59
299.3134766	5.27
301.3023376	2.50
302.0874634	0.97
309.322876	0.71
311.3760986	2.41
313.1090088	1.37
315.2582092	5.62
319.1426392	1.24
321.4075623	3.63
322.2969055	1.82
323.1571655	7.10
325.5246582	1.51
329.1818542	0.16
337.4801636	0.18
339.2450562	100.00
340.1985474	1.62
341.3407593	24.58
342.5656433	1.43
356.19104	0.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.12
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
106.7813721	0.56
129.0247192	0.33
130.9571838	0.73
147.0432587	0.12
148.9708557	4.86
151.1659241	0.67
159.8492432	0.15
161.4009399	0.34
162.3790436	0.18
174.8643646	0.20
177.1413879	1.29
179.068634	0.35
180.0906677	4.91
181.1876068	0.16
195.0598755	100.00
206.6547699	0.23
209.0801086	0.19
225.0291748	0.29
235.0479431	0.46
236.872467	0.59
251.1409607	0.29
260.1305847	0.18
264.1429749	0.64
264.942749	0.33
272.9645081	0.15
274.5967407	0.18
294.8833313	0.10
299.2658081	0.17
303.3548889	0.46
311.112793	5.02
311.9987183	0.41
313.0809937	0.44
326.3024902	0.78
330.3535156	0.69
337.2103577	0.20
338.4755554	0.22
339.2069397	0.89
342.1229553	0.31
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	352.1035
Annotation	Sambucus nigra Degraded cyanogenic glycosides (2'-Epimer)
Peak:m/z	Relative Intensity
112.9099121	0.03
127.9197083	0.04
130.7989807	0.11
174.6217346	0.15
190.0185852	100.00
205.1168976	0.23
239.1696167	0.04
249.9004517	0.12
251.7668152	0.04
256.0618591	0.31
258.2378540	0.13
266.9667358	0.23
268.1519775	0.11
271.2863770	0.06
272.0607605	0.12
273.2745667	0.23
273.9421082	0.20
290.2375183	0.16
292.1711426	0.04
293.8699646	0.08
294.6456909	0.14
299.1090088	0.07
304.1853027	0.08
305.3347473	0.05
306.2133789	0.43
308.2643433	0.18
309.2122498	0.10
313.9944458	1.46
316.0310669	2.94
317.2337952	0.28
321.9135742	0.23
333.1538391	0.08
334.1741638	1.03
335.1975708	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	450.0562
Annotation	Glucoalyssin
Peak:m/z	Relative Intensity
138.9936523	0.21
143.2293854	0.01
144.9704895	0.07
186.0429382	0.03
190.1757507	0.03
190.9819031	0.06
192.0047913	0.41
195.0462952	0.11
208.1128693	0.26
226.9463806	0.19
241.2614441	0.12
254.0696106	0.15
257.1009521	0.10
259.112793	3.33
269.2749634	0.09
272.1221313	0.29
273.8103027	0.04
275.0636902	1.10
277.1193542	0.08
282.1011963	0.03
288.1419678	0.02
290.9512329	1.38
306.147583	0.25
351.2462158	0.01
357.4026184	0.17
358.3882141	0.04
366.779541	0.03
370.2926331	0.69
373.3631592	0.05
386.0673523	100.00
386.6770935	0.29
422.2486877	0.09
431.1816101	0.06
432.4039612	0.04
435.1066895	1.64
436.2868347	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	339.0492
Annotation	TOPOPYRONE C
Peak:m/z	Relative Intensity
144.885788	0.71
152.0480042	0.21
191.135437	0.25
206.2332458	1.77
209.0418396	0.25
218.2948914	0.19
219.0137329	2.79
230.9580688	2.25
241.1485901	0.58
248.9200134	18.36
249.6195984	0.43
257.289856	0.83
260.7376099	0.92
279.039917	17.87
281.5211792	0.21
292.8534241	0.32
295.0531311	0.65
303.2537231	0.39
311.3729553	0.92
321.0451965	100.00
329.1748657	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
100.8791122	0.24
108.9968262	0.78
116.7812729	1.14
121.1435623	0.34
122.9807129	0.55
125.0198517	0.24
126.9555817	1.11
134.9780884	1.87
137.0050049	2.56
142.8030701	1.88
145.4275818	0.38
147.1065063	0.52
149.1542664	0.83
151.1087036	0.16
152.2669525	0.22
155.0263062	0.74
156.8899536	1.99
158.9966736	0.50
163.1189575	0.92
165.1864166	0.62
167.0318909	1.76
171.1808167	0.75
176.8508911	0.24
179.1081848	0.32
180.9073486	3.18
183.0659943	2.61
184.9669952	0.34
195.0948181	1.14
197.2634277	3.15
199.2616577	0.27
204.9151001	0.74
208.9677734	2.44
211.0797119	3.06
213.0265503	2.42
215.3689575	0.64
223.1973267	0.64
225.162262	1.65
227.1425781	2.99
229.2998657	0.20
233.4073486	1.59
235.3223267	0.65
235.9373474	0.26
237.32547	1.08
238.3731689	0.30
239.1298523	0.20
241.1011353	1.09
247.2312927	0.30
250.2729187	0.28
251.1448364	3.72
253.0370789	5.04
255.0786133	0.46
257.296875	0.87
264.1203613	0.50
265.1300964	1.23
266.7803345	2.10
269.1776733	1.49
270.0964966	1.57
275.2333679	18.25
280.0828857	1.12
283.1700134	0.97
287.4217834	0.22
293.2156982	100.00
295.2989197	0.91
297.5802002	0.36
302.3435059	1.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	217.03
Annotation	Unknow
Peak:m/z	Relative Intensity
70.9150696	0.09
73.0157471	0.07
87.0744629	0.23
88.9572144	1.98
91.0206909	0.04
97.8825073	0.05
100.9700165	0.65
106.8789978	0.51
112.9667358	1.41
114.7858887	0.10
118.9104462	2.44
120.9628906	0.04
125.0299072	0.11
126.8802338	0.14
130.8736420	0.43
143.0796356	2.49
144.0950470	0.12
144.9674530	0.15
149.0971832	0.45
151.1654510	0.09
161.0084839	5.69
161.8810577	0.09
163.1174774	0.23
173.4188385	0.04
178.9239655	100.00
180.0567932	2.64
180.9554443	3.68
181.8130035	0.04
199.1804657	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	422.0578
Annotation	Gluconasturtiin
Peak:m/z	Relative Intensity
128.7561188	2.73
138.7884827	1.49
141.8723755	1.26
145.2076111	0.62
147.1298523	0.53
163.1351776	1.40
164.1871338	0.33
180.1596680	10.24
194.8870392	2.13
199.0548706	0.59
222.1886749	1.59
226.0917816	4.26
227.0549469	3.96
229.1098938	3.13
230.9471741	1.70
241.0751038	2.99
243.9841309	11.53
257.1491394	1.47
259.0729370	100.00
260.0015564	0.37
265.1435852	0.82
270.2324524	0.77
273.0800476	0.94
274.9777527	29.69
301.1586914	2.67
342.2355652	15.33
342.9253235	1.38
390.4339905	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	604.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
171.8781281	0.03
172.9357910	0.03
174.1509705	0.07
174.9337158	0.04
180.9615021	0.03
182.1148682	0.02
188.0350800	0.12
189.0549316	0.04
191.1077271	0.06
200.0305786	0.53
201.3013611	0.18
202.0921326	5.97
204.9948120	0.12
215.0371094	0.11
218.0690613	1.00
219.0365753	0.26
221.2205353	0.09
241.2678528	0.02
244.3182983	0.19
246.1027679	0.07
247.1714020	0.33
257.2140198	0.03
262.0532227	100.00
262.8537598	0.05
265.1038513	1.32
283.1508484	0.86
289.1392517	0.04
301.2420044	0.05
311.0264282	0.12
317.1937561	0.56
318.1717224	0.02
321.1259766	0.23
324.2023926	0.02
325.0703735	0.05
329.2890015	0.58
340.2473755	0.13
344.2621460	0.05
347.3044434	0.11
349.0148315	0.06
362.0276489	0.36
363.0898438	0.06
364.0290527	0.02
377.2338867	0.19
379.9279175	0.03
397.1826782	0.57
401.1944580	0.06
404.5706177	0.10
415.3685913	1.03
421.1130371	0.02
424.0895386	0.36
424.8575439	0.03
440.3150635	0.05
441.3999634	0.21
442.1251221	0.45
443.2958374	0.12
471.2838745	0.28
472.3722534	0.24
473.2532959	0.04
485.2416992	0.09
509.4296265	0.07
511.4478149	0.26
513.3373413	0.02
526.4691162	0.15
527.3201294	0.09
529.2200317	0.13
543.1744995	0.25
544.1920776	0.94
545.3067627	0.23
555.2822876	0.14
573.2806396	6.34
586.0877075	0.02
587.2177124	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
80.86347198	0.15
108.1588135	0.46
134.9713593	0.92
137.1236877	0.23
137.8129272	0.23
141.036499	0.59
142.9704895	0.47
149.0238342	2.31
151.0079498	0.78
160.8427277	1.06
165.0982819	0.17
166.9397278	1.20
169.0464478	0.29
174.1687164	0.28
179.2234955	0.92
180.1183014	0.78
181.2178497	1.68
185.1528473	1.22
191.1177216	0.49
193.2397919	0.93
193.9879303	0.23
195.3457794	0.64
204.937973	0.80
206.3639984	1.35
207.0884094	7.57
208.124649	9.06
209.2772675	2.58
214.8168488	6.09
215.9775238	0.37
221.1862793	0.83
222.2232056	3.08
223.206131	10.57
224.1653595	1.77
232.2803802	0.31
233.2158356	1.28
236.1242065	0.33
245.1186371	0.65
251.0722198	100.00
252.0791016	15.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
97.41723633	0.39
108.973175	1.12
113.938591	0.70
120.9217529	1.08
123.1408081	0.51
130.9428711	0.76
133.0889893	3.32
134.9268188	2.06
139.1482391	0.42
145.131897	1.42
146.989151	0.99
153.4612427	1.15
156.9387512	1.13
159.0638733	0.36
160.9273987	0.63
163.3490295	0.36
166.9628296	0.45
170.8054352	0.51
172.1300659	0.88
173.1569519	0.54
174.8426514	0.94
177.3314514	0.54
187.1906128	2.05
193.5758667	0.95
197.2545319	0.86
207.2824554	1.25
210.9407959	2.22
217.0171814	2.45
225.0383911	1.69
231.0173645	1.78
232.7430115	0.89
239.2550354	2.51
241.0596924	0.64
245.3087463	1.50
247.2619324	6.62
249.3409424	1.77
254.4265747	1.96
255.8509521	0.57
259.5595703	0.61
263.0475464	0.32
266.872467	0.75
277.5012207	0.89
281.2699585	1.46
283.1997375	1.74
287.0130005	1.36
295.2332458	0.55
296.0453491	1.27
299.3334045	1.02
299.9984436	1.18
304.7390137	2.86
323.2403564	100.00
324.2192383	2.41
327.2117615	0.72
329.8184204	0.76
341.3088074	1.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	285.0614
Annotation	Uralenneoside
Peak:m/z	Relative Intensity
86.9307861	0.57
104.7940979	0.08
121.1991043	0.04
131.0019531	0.15
159.1503754	0.09
165.0724487	0.08
168.9403076	0.05
179.1287384	0.03
182.0200500	0.12
191.0384827	0.07
194.1026306	0.03
196.9834290	100.00
197.7698975	0.04
204.9742432	0.04
207.0571594	0.05
209.1714172	0.14
212.0140991	0.07
212.9933472	0.05
222.1776428	0.14
223.0794067	0.14
237.1419678	0.04
238.9739990	0.07
240.1815796	0.05
241.1321106	0.44
241.8663025	0.06
248.7856750	0.26
250.0417175	0.18
256.1413269	0.05
257.0438232	0.31
258.1463013	0.04
267.1101074	2.54
268.3059387	0.18
284.9519043	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	662.73
Annotation	Unknow
Peak:m/z	Relative Intensity
274.6824341	1.96
291.0195007	1.55
294.1214600	0.52
342.7504272	0.83
358.5619507	6.35
362.9334717	1.97
410.8239136	2.08
426.6857300	11.56
436.5678711	0.69
442.5829468	4.13
473.0593872	0.33
494.7380371	33.80
496.6895142	3.60
510.6691284	100.00
525.9905396	2.08
526.6729126	15.60
555.9927979	4.25
556.6777954	22.09
576.0376587	0.94
576.8723755	0.57
578.2544556	22.09
578.8739014	65.20
594.9721069	12.88
598.4470215	0.25
615.2963257	0.34
616.7723999	14.71
620.2890015	0.25
644.2669067	0.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	578.77
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9430542	0.17
258.1127930	0.03
258.9371338	0.31
274.8638000	2.01
290.8072510	2.09
306.1206055	0.03
306.9097290	0.17
342.3751221	0.46
342.9768066	0.48
358.7958374	2.63
363.3956909	0.04
373.4805908	0.19
410.1989746	0.76
410.8111572	4.87
424.0561523	0.04
425.5449219	0.59
426.7108154	28.32
442.0649414	0.58
442.6890869	7.81
443.4811401	0.17
456.9232178	0.17
491.1967163	0.09
494.6417236	100.00
495.2720337	0.62
510.5985718	13.76
511.2523804	0.02
531.6400757	0.51
533.2526245	0.17
560.8781738	0.05
578.5510864	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	367.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
111.0397339	0.06
112.9050140	1.18
114.0935516	0.03
115.0084610	0.65
123.1825867	0.04
125.0030212	0.90
126.2972946	0.10
126.9810410	0.11
127.9059601	0.04
130.9955902	0.02
133.0509033	0.13
135.1672974	0.09
139.0543365	0.07
140.8807526	0.03
143.0430603	0.69
144.8642883	0.46
150.0653839	0.11
151.0434570	0.17
156.1241760	0.60
156.9769287	3.27
159.1504517	0.06
161.0292358	0.50
162.9424133	0.10
165.8791809	0.07
166.9951477	0.08
167.9990540	1.00
169.0572815	4.35
173.0818787	0.05
174.1974182	0.03
175.0238037	0.06
179.0743713	3.45
180.2323914	0.13
186.0397797	2.42
187.0213165	11.25
191.2576447	0.08
199.0395813	0.03
204.1220093	6.08
205.0443878	21.16
215.9514313	0.03
217.1079712	0.78
219.2954407	0.04
233.0367126	0.04
234.1758728	0.03
241.0516968	0.11
246.2860413	0.14
247.1196289	2.01
258.1908264	0.11
259.0015259	0.25
264.2573242	0.01
265.3250427	0.02
268.2685547	0.03
271.1348267	0.08
276.1396179	18.03
277.0962830	100.00
282.1810303	0.03
289.1499329	0.25
300.0762634	0.04
304.4143982	0.05
306.3937073	2.42
307.2332764	10.32
323.2142944	0.10
330.1905518	0.07
331.1829834	0.32
336.3901978	1.06
337.2080383	2.91
346.2280884	0.03
347.6571960	0.02
349.2146606	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	469.1233
Annotation	FL 120C'
Peak:m/z	Relative Intensity
144.8050232	0.41
147.9441071	0.08
162.0464630	1.72
176.8165741	0.03
178.9545135	5.82
180.9102936	0.10
195.9325867	1.22
199.1840210	0.27
213.3969269	0.13
220.0440063	1.61
221.0869446	1.03
227.0579681	0.17
237.0308838	2.61
239.1229553	0.14
242.6604767	0.05
245.1431274	0.09
256.1527710	1.31
257.0918884	0.32
264.3262634	0.73
264.9927368	4.78
267.4685669	0.08
270.2846375	0.22
272.2688904	0.41
274.1170959	1.24
275.2134705	0.11
287.7599792	0.05
289.2034302	0.09
306.1780090	3.92
308.2185364	3.38
311.1264648	0.21
313.1111145	0.04
319.2805176	0.19
323.1476440	16.70
337.2981567	0.14
340.0465698	100.00
340.6676331	0.20
342.9675903	0.25
345.4671021	0.10
349.7304688	0.25
374.7283936	0.16
383.2933655	0.10
392.4879150	0.08
394.1146851	14.78
397.8318176	0.12
405.8703003	0.04
410.9983826	0.08
423.4556580	0.07
431.0724487	0.08
432.3566284	0.03
433.2570496	0.16
434.0898743	0.21
440.5402222	0.16
446.0112305	0.16
449.0541077	0.06
450.4888000	0.43
451.3429260	2.95
452.2951660	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	600.78
Annotation	Unknow
Peak:m/z	Relative Intensity
180.9872894	0.46
196.9334717	0.17
213.1712952	0.04
263.0282593	0.05
264.7819519	5.82
265.4285278	0.02
280.7580261	2.55
281.4475403	0.08
345.9562378	0.17
348.0511475	0.85
348.8212891	19.58
364.7211914	10.55
380.7786865	0.20
419.1848145	0.05
432.6596680	49.49
445.9396362	0.05
448.5168457	12.05
449.1779785	0.16
463.8013306	0.08
464.6218872	0.09
513.8985596	0.26
516.5481567	100.00
517.2730713	0.34
529.9315796	0.23
532.4399414	1.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2214
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
91.06325531	0.21
92.88061523	0.24
108.9929276	0.27
119.2256851	0.47
121.0584717	0.61
125.0453796	0.75
127.0613403	0.74
134.8624115	0.38
136.8695068	0.21
141.1881104	0.93
147.1377869	0.36
149.0854492	0.63
151.1034851	0.55
152.9076538	0.57
157.0084229	0.62
163.9992676	0.16
166.7514648	0.82
170.9070435	1.45
175.2400818	0.46
177.0867004	1.13
181.0872803	0.84
182.734726	0.50
185.045166	0.94
191.0510254	1.18
195.0925751	2.56
199.0093231	0.89
205.1398926	0.44
207.3388672	0.40
208.4350891	0.95
209.0482178	1.29
211.0245056	2.64
212.9539795	0.85
215.2443542	0.95
217.3127747	0.23
221.2041931	1.35
224.9266968	1.12
225.7481079	0.44
229.3528748	0.63
233.2940674	1.57
234.2364197	0.61
235.6483765	0.25
237.2261658	0.32
240.1679688	1.23
247.1939697	0.36
249.1798706	0.78
251.2683716	2.43
253.1745605	3.41
255.3100891	0.52
258.5955505	0.30
263.9703064	0.40
265.181366	1.20
267.0083923	1.14
270.0103455	0.46
275.2046509	13.43
282.7336426	1.68
288.1052856	0.19
293.2104187	100.00
294.1059875	1.50
301.6934204	2.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	386.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
118.7772293	0.17
134.2677917	0.35
135.9932404	0.77
148.0307312	0.21
178.0733032	7.35
190.0546570	0.34
192.0258179	0.52
203.0936890	5.68
207.1380310	0.10
208.9997711	0.23
220.8458862	1.27
223.2345581	0.25
232.1748657	0.36
240.9547424	0.52
250.9906006	100.00
254.2464294	0.30
261.0606079	0.88
265.9269409	0.27
267.0935059	4.57
268.9758911	7.55
269.6819153	0.45
272.0804749	0.69
278.0397949	0.23
279.1989136	10.42
283.0485229	0.13
286.0068359	0.19
290.2594604	0.41
295.1771240	2.33
305.4210205	0.25
309.2160339	0.40
319.1495667	0.74
320.2325134	2.25
321.4459839	0.99
323.3945923	1.28
325.1073608	0.23
326.0588379	0.20
338.1279907	12.34
341.4317627	0.27
349.4236450	0.20
350.2774048	0.58
351.1451416	0.27
352.1805725	1.60
353.4286194	0.19
356.4013367	0.46
367.4732971	7.56
368.1317444	28.91
369.1096191	1.17
370.1049805	1.51
376.9024353	0.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	544.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
173.0675049	0.03
178.7761993	0.04
195.0899658	0.01
208.7321167	0.01
209.6309967	0.04
226.8593140	0.01
237.0515594	0.02
248.0388336	0.14
250.9710083	0.03
259.1873779	0.05
268.8751221	0.46
275.0227051	0.03
283.1677246	0.04
284.1979370	0.02
291.1477051	0.03
301.0161743	0.36
321.7858887	0.02
328.0252686	0.01
372.0751953	100.00
373.1112671	11.01
382.0603638	0.07
409.6206055	0.05
410.2211914	0.07
411.3640747	0.02
415.9016113	0.07
431.1291504	0.02
455.0128174	0.01
463.9915161	0.03
483.3789673	0.02
484.1538086	0.22
501.1861572	0.02
507.9533691	0.01
526.1643066	0.35
527.0863037	0.05
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
106.8482285	1.77
125.1601334	1.84
135.137207	1.03
138.8702393	1.17
147.2424927	0.90
152.9681091	2.39
155.0379639	3.52
157.0476685	1.10
160.8800049	0.90
166.8504639	1.57
177.0243073	0.70
179.0731201	1.24
180.8267212	6.99
184.9197693	1.57
195.0837708	1.71
197.2131958	1.77
209.2274475	0.92
210.0587158	1.25
211.0964966	2.31
215.2663574	3.41
219.1177673	2.10
223.2579651	1.51
224.9098511	1.00
227.3089294	0.84
229.0341492	2.64
235.2562561	2.58
237.1946106	2.57
239.1327515	3.11
246.7884521	1.57
248.0617065	0.97
251.3437805	7.65
265.5135803	1.84
266.7940674	0.57
270.1454468	0.64
275.2817993	10.38
283.0132446	2.19
290.3609009	2.91
293.2162476	100.00
299.2341309	2.97
302.2172546	2.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2501
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.0557938	0.41
110.6250458	0.13
119.0272217	0.18
120.970314	2.17
123.1316986	0.18
132.8705292	0.65
135.0221863	1.48
143.0801697	1.43
144.8305054	0.23
147.0285034	0.71
149.0126343	1.82
153.0464935	0.12
154.7065277	0.41
156.9984436	2.31
159.0115967	0.87
161.0773468	0.21
163.0900269	0.10
164.9522247	0.84
167.4325714	0.36
169.1244202	0.24
171.0275879	0.86
173.0759888	2.33
174.0200958	0.24
174.8335114	0.28
177.1590729	1.13
179.1149597	0.32
183.0390167	0.72
187.0245819	1.61
189.341507	0.22
191.06604	0.46
193.420105	0.11
197.1128845	0.44
199.3257141	0.63
200.1732178	0.12
200.9505615	1.07
203.0580444	0.18
205.0994415	0.08
206.2136536	0.31
209.3270264	0.58
211.0971985	1.49
212.1421204	0.18
215.1774292	0.10
217.3216553	0.12
223.2059631	1.23
231.1567078	0.24
239.3262329	0.10
245.0784607	0.66
245.7616272	0.43
247.133728	4.55
253.0433044	0.18
255.1915894	0.24
259.1054382	0.67
272.7089844	0.16
278.5480347	0.12
283.421936	0.78
285.0437622	0.16
287.4998169	0.64
295.3865356	1.13
296.0596619	0.08
297.288269	0.45
299.5341187	0.41
300.3493042	0.18
305.284668	3.72
310.3786011	0.14
311.4026794	0.44
313.3970337	1.29
315.131073	0.22
323.2450562	100.00
323.996521	0.49
332.7067871	0.59
340.9093323	1.11
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
102.9258575	0.06
114.9710388	0.39
129.0267944	0.03
130.9987946	1.62
146.8945618	0.43
158.9076996	8.10
174.8987122	100.00
215.0068054	0.27
216.9859314	0.04
229.1297302	0.07
232.7869873	0.12
244.8981628	25.48
261.1817627	0.44
270.9298096	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	274.87
Annotation	gamma-Pentachlorocyclohexene
Peak:m/z	Relative Intensity
122.8672409	17.01
190.7893219	100.00
206.8643799	83.70
230.2063599	0.19
257.3342590	0.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	369.1106
Annotation	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine
Peak:m/z	Relative Intensity
130.0293274	1.67
148.8387756	0.21
155.0196838	0.20
156.0597229	0.10
161.9876404	0.98
162.8496399	0.06
172.0817871	0.14
173.8664856	1.11
189.0700073	0.38
189.8464355	0.60
191.1613922	0.09
192.0980072	0.09
195.2151794	0.08
204.9232025	0.32
207.0414886	100.00
217.1992950	0.16
224.1064453	0.26
239.2395020	0.16
249.1330872	1.51
250.8756714	0.11
256.0268860	0.09
257.2417908	0.11
264.0075684	0.14
265.0872803	0.08
273.2778320	0.18
282.0818176	0.06
297.1882324	0.09
303.3949585	0.12
310.1846313	0.22
313.1610107	0.07
315.2709961	0.60
325.3221741	0.23
327.3261414	0.23
332.6556702	0.36
333.2622986	0.88
334.2861023	0.07
336.0412903	0.16
350.2055054	0.04
351.1821594	1.40
352.1340332	2.83
356.8085022	0.47
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	960.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
284.2155762	0.24
408.2622070	0.42
415.3080750	0.46
462.2272339	0.16
549.6292725	0.24
650.1196899	1.51
653.5980835	0.27
669.3464966	1.00
698.5142212	0.56
728.4631348	0.47
732.3744507	0.57
757.2185669	0.24
764.4456177	0.23
765.6463013	0.39
777.3622437	0.29
806.8981934	0.83
836.8651733	1.30
838.2538452	0.32
857.5908813	1.53
885.3682251	0.40
887.7544556	1.06
899.6482544	0.88
900.8242188	0.83
910.6441040	2.87
916.6170044	0.71
941.4210815	1.41
947.2958374	1.02
1053.3603520	3.22
1056.7036130	1.30
1060.8090820	1.22
1061.6187740	0.80
1145.3942870	0.33
1184.4639890	0.87
1191.7535400	0.69
1207.8203120	1.90
1209.9888920	2.59
1210.6286620	0.28
1211.2838130	1.12
1212.7672120	0.17
1230.1599120	0.35
1238.5476070	4.52
1240.7148440	0.27
1249.9387210	0.37
1273.6147460	0.96
1299.2999270	0.50
1330.7407230	0.93
1348.7332760	0.69
1393.1202390	0.19
1394.6191410	0.38
1467.8095700	0.32
1490.9156490	0.40
1493.9542240	1.21
1510.6145020	0.97
1642.8679200	0.21
1717.3277590	0.38
1790.2341310	0.27
1792.6719970	0.54
1810.7589110	0.99
1825.3679200	0.17
1835.6693120	0.24
1840.4219970	0.77
1842.7121580	0.20
1853.1224370	0.19
1872.9976810	0.17
1878.2882080	5.80
1885.7904050	0.88
1887.2053220	0.20
1888.0446780	0.91
1893.8336180	20.67
1895.2243650	1.93
1900.7722170	2.92
1903.5870360	0.52
1913.2502440	1.43
1923.1486820	17.23
1924.3104250	1.05
1924.9538570	0.14
1928.2347410	3.55
1930.1978760	0.65
1932.3707280	26.50
1936.3758540	1.05
1938.2740480	0.95
1939.9744870	0.19
1942.2409670	0.39
1945.0135500	0.94
1947.9459230	0.14
1949.1783450	0.90
1950.8299560	1.61
1952.0457760	0.17
1953.7355960	3.50
1964.5496830	4.23
1965.3138430	0.35
1972.2067870	1.96
1973.2473140	3.05
1977.3116460	0.39
1979.7525630	27.35
1984.2370610	0.70
1986.1737060	8.14
1988.7813720	54.75
1990.2242430	100.00
1992.0773930	16.25
1994.6397710	0.54
1998.8171390	5.21
1999.6291500	1.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	285.072
Annotation	Wogonin
Peak:m/z	Relative Intensity
106.9625168	0.41
121.9707336	6.28
123.8060455	8.42
124.9300461	0.81
138.9864502	1.59
162.0214539	1.77
164.0280914	0.41
187.0546722	1.18
195.1204224	1.61
198.0223389	1.46
199.0609131	1.78
200.1118164	18.68
202.4231873	0.34
212.9721375	0.54
223.2253113	0.30
224.9232788	1.88
227.3505249	0.70
231.2483826	1.89
237.8930664	0.77
240.1734009	0.41
241.2697449	2.10
241.9346924	0.89
243.3224182	1.97
245.9594116	5.62
256.052063	2.82
259.0283508	2.21
266.1951294	3.23
269.3884888	16.60
270.0577393	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	680.93
Annotation	Unknow
Peak:m/z	Relative Intensity
260.8741150	0.77
274.3861084	0.82
275.0149231	1.35
289.2078247	0.68
290.7015991	1.75
292.7919006	1.26
309.0740356	0.23
319.0098877	11.07
339.0503540	0.21
339.8603516	0.52
347.0902100	0.25
352.9454346	0.12
358.6506348	0.98
359.5354004	0.27
360.9490967	2.22
368.7912598	0.25
383.0947876	6.85
397.0576172	0.11
401.0879517	26.09
406.8667603	3.69
421.0811157	1.39
426.6245728	2.05
428.6260986	1.76
437.0054321	19.73
439.0526733	7.18
440.2283936	0.37
442.7073364	1.87
444.6950073	9.05
448.9860840	0.53
454.9448853	2.24
460.5625610	0.52
461.2254028	0.40
472.8984985	0.97
475.2413940	0.23
476.2656250	0.42
501.0820923	4.72
502.1419678	0.12
505.3131104	0.46
509.1915894	0.16
510.6272583	8.93
512.6730347	20.82
519.0429077	100.00
519.9597168	0.16
526.6029663	6.70
528.5088501	32.69
529.1242676	0.64
531.2124023	0.83
532.6226196	0.46
535.9871216	0.23
541.6379395	0.50
544.2319946	3.54
544.9896240	3.03
568.9677124	9.93
569.6478882	0.79
594.1016846	1.14
594.7023315	4.33
596.5743408	41.00
612.7290649	7.78
615.8059082	0.30
635.0029297	1.07
638.0227661	9.73
638.9355469	0.49
657.9278564	4.47
662.0838013	0.26
663.0977783	2.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	348.0695
Annotation	dGMP
Peak:m/z	Relative Intensity
119.0093384	4.58
135.9324646	100.00
201.0690308	0.15
204.9985199	0.17
216.2085571	1.67
232.2880859	0.91
249.2600403	1.47
250.2023315	0.96
258.0575867	1.92
280.4642639	0.55
293.1563721	0.80
300.4127197	0.35
330.0316162	1.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	610.81
Annotation	Unknow
Peak:m/z	Relative Intensity
178.7630157	0.13
185.6207581	0.09
274.9667969	0.59
290.7557373	1.69
358.8087158	1.32
369.0168457	0.06
374.8706665	0.11
390.7180786	0.06
402.9505615	0.30
407.0744019	0.11
420.7559204	0.12
442.5744629	9.87
444.7677612	15.81
448.6290894	0.39
458.6035156	7.10
466.4862061	0.73
474.7042847	6.44
475.3612061	0.30
480.6696167	0.50
490.7157593	0.92
499.6449585	0.12
500.8584595	0.05
501.5480957	0.08
503.0996094	0.96
503.9431152	6.49
504.7225952	65.21
526.0899658	10.00
526.7468872	100.00
533.3391724	0.03
534.0206909	0.06
534.7536011	0.10
538.2728882	0.04
541.9064941	0.35
542.6631470	2.40
544.7921753	0.04
546.5684204	2.40
550.7285156	11.09
557.7330933	0.46
563.9900513	7.81
564.7068481	15.60
579.2195435	0.06
580.8145142	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	457.096
Annotation	Bikoeniquinone A
Peak:m/z	Relative Intensity
128.8829956	0.60
140.9989777	0.12
159.0396118	0.87
174.8959656	0.02
176.9672089	0.03
190.9599304	0.18
209.0107880	100.00
210.2716217	0.02
231.8689880	0.08
233.0853271	0.03
234.9947815	0.04
245.0349426	0.02
246.2373657	0.07
246.8407593	0.04
264.8646545	0.06
274.0126343	0.11
277.0362244	0.03
281.3183594	0.03
290.9190674	0.04
295.0450439	0.08
307.3417053	0.02
309.0711060	0.02
322.6454773	0.05
324.3434448	0.02
325.0693665	0.02
335.1036682	0.06
341.1888733	0.04
345.1179199	0.02
349.0951843	0.01
353.3997803	0.02
356.1777344	0.02
357.9140625	0.04
359.1221619	0.37
378.9736023	0.02
393.7760315	0.04
397.0912781	0.03
407.0048828	0.15
413.0990295	0.02
435.9689026	0.02
438.5125427	0.12
439.2017517	0.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	532.8751
Annotation	Unknow
Peak:m/z	Relative Intensity
160.3638916	0.05
174.9503784	1.28
199.0214996	0.02
203.1084900	0.02
214.9091187	0.11
244.9564514	0.46
272.9345703	1.33
274.2113037	0.04
288.9286499	14.48
289.6097412	0.01
304.9046021	3.73
377.0482178	0.04
386.5038452	0.19
387.1674805	1.33
387.9212646	0.16
388.9682007	0.22
400.2315063	0.09
403.0086670	7.12
403.8428345	0.11
417.0816040	0.05
418.8953857	100.00
419.7637939	0.02
434.9036255	0.03
442.9108276	0.06
459.0035400	0.22
476.5717773	0.05
485.8995361	0.21
486.8319092	1.08
488.9827271	0.04
504.9360962	0.03
514.8113403	0.05
523.8845825	0.03
530.3156738	0.01
542.0578613	0.03
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
110.9449081	3.14
123.1503143	2.94
130.3043518	3.06
139.0403137	1.36
151.234436	1.03
177.2929077	1.82
179.3672943	4.54
180.8376617	1.49
182.951889	5.81
197.3085785	7.93
203.1760864	1.14
219.0755005	2.40
221.3188782	2.27
223.0092163	2.40
224.9554138	3.92
233.6946106	1.14
237.3034058	6.48
251.0361328	6.42
255.9213562	5.69
261.0910645	2.16
277.9599915	3.36
279.2270813	100.00
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
159.8448486	5.95
171.3448029	7.29
185.2001343	21.81
187.2438354	6.89
191.2457428	9.89
224.1597595	5.88
233.9968567	8.88
237.2136536	10.52
243.1053772	8.25
252.454895	7.22
256.1459351	13.86
267.4541626	7.55
269.8357239	11.21
289.0169373	3.58
293.2811279	14.55
302.337677	21.09
311.4191284	5.23
316.5542603	3.93
323.4646301	9.54
324.2399902	10.11
339.0667725	10.44
340.729248	10.20
355.390686	17.64
365.3881531	7.84
380.1594849	9.05
381.5725098	2.57
382.6510315	9.85
390.0722656	9.31
403.1433411	5.29
406.8609924	10.20
408.2730103	100.00
409.102417	16.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	843.8104
Annotation	Unknow
Peak:m/z	Relative Intensity
259.4126892	0.16
280.1065979	0.24
387.5182495	0.53
388.1660156	0.12
422.8070068	0.37
427.1677246	0.06
448.5667114	0.33
456.4993286	0.30
529.1990967	0.07
534.6505127	0.38
559.5057373	0.28
577.7015991	0.37
633.9721069	0.23
640.6544189	0.43
652.3573608	0.23
654.3165283	0.33
660.5372314	0.09
665.3671265	0.12
670.0276489	0.07
681.4664917	0.27
683.4868774	0.07
684.9246826	0.52
688.0685425	0.29
690.7794800	0.12
716.5861816	0.37
717.4921265	0.12
720.7171021	1.33
731.3961792	0.67
734.4177856	0.08
735.1350708	0.41
748.3823242	0.15
761.2519531	0.25
763.2845459	0.38
773.5396118	1.60
774.4770508	0.54
775.4721069	0.12
786.7556152	0.69
787.5469360	0.49
788.2083130	0.19
790.2990723	0.39
794.9624634	5.69
796.1936035	0.23
797.3063354	0.22
798.6485596	100.00
799.7428589	3.07
800.5764160	0.97
801.4643555	0.96
802.1792603	0.66
803.1806030	0.24
804.7548218	2.81
806.2953491	0.08
807.3814087	0.96
808.5022583	0.10
811.2130737	0.53
814.4069214	0.19
819.4846191	0.62
821.2484131	3.39
822.9525757	0.07
824.9287109	0.30
826.8573608	0.91
827.8732300	0.54
829.0886841	0.08
830.8073120	0.07
834.6442261	0.40
882.1174927	0.10
883.6140747	1.38
884.3236084	1.05
885.9087524	0.07
895.6116333	0.45
896.5584106	0.09
899.8054810	0.22
906.6026001	1.04
911.5307617	2.35
916.4279785	3.71
917.0953979	0.20
917.7792358	1.01
919.8911743	0.08
942.9862671	0.32
948.8897095	10.56
949.5963745	0.19
950.2192383	0.40
962.8717651	0.41
964.4988403	0.23
970.7107544	0.51
973.7175293	5.91
974.6143188	0.76
980.7050171	0.48
981.7074585	0.48
986.9530640	0.10
992.7565308	0.24
993.7531738	1.58
996.8716431	0.30
997.9757690	88.75
998.8557129	2.15
1001.0651250	0.61
1001.7404170	0.16
1004.3577270	0.07
1006.4613650	0.34
1007.6017460	0.41
1012.6667480	0.52
1014.5372920	0.46
1027.0357670	2.48
1033.6916500	0.72
1042.9376220	0.21
1049.0773930	0.39
1059.3601070	1.12
1066.9792480	0.23
1073.0643310	1.41
1082.8045650	0.34
1096.0300290	0.08
1096.9155270	0.25
1108.4880370	0.40
1110.6065670	0.64
1113.3419190	0.08
1125.1186520	1.28
1133.2069090	0.11
1139.1193850	0.87
1142.5693360	0.32
1143.5083010	0.49
1148.4327390	1.87
1149.3701170	0.24
1158.8612060	0.08
1166.6134030	0.14
1180.4422610	0.71
1181.3034670	0.55
1208.5521240	0.23
1210.0598140	0.19
1287.7871090	0.57
1314.4234620	0.31
1315.3913570	0.16
1364.8137210	0.45
1367.2149660	0.24
1467.7354740	0.06
1519.7672120	0.20
1552.8304440	0.27
1554.2586670	0.18
1590.8040770	0.10
1658.8907470	0.16
1698.8709720	0.14
1710.2264400	1.41
1728.0010990	0.37
1779.0579830	0.38
1799.2010500	0.17
1799.8638920	1.96
1801.4930420	0.06
1812.2897950	0.48
1837.6218260	0.08
1839.6599120	0.92
1853.7478030	0.20
1863.2546390	10.76
1867.5715330	9.96
1871.3682860	0.19
1880.3060300	0.08
1884.2523190	5.68
1886.7135010	1.16
1903.8197020	0.09
1912.5184330	0.13
1914.2938230	0.68
1918.4440920	1.51
1920.3957520	0.13
1921.4713130	0.62
1927.7082520	0.24
1932.2365720	1.04
1937.8714600	0.68
1939.5264890	0.12
1940.8065190	0.09
1945.4846190	2.25
1946.8773190	0.17
1948.2940670	0.17
1970.3092040	0.72
1971.6716310	0.65
1973.5765380	0.35
1975.4266360	0.43
1976.4105220	0.73
1978.4978030	0.19
1980.0637210	0.43
1983.6605220	0.17
1985.1046140	38.70
1987.5142820	2.77
1989.0822750	0.41
1993.8040770	0.10
1994.9576420	1.62
1998.0369870	5.00
1999.3410640	0.07
1999.9895020	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	303.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
86.6113434	0.05
87.9645386	1.31
151.8842773	100.00
168.5430908	0.05
215.2579956	0.08
238.9956970	0.52
243.2762756	0.11
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
94.98181152	0.26
96.99745178	0.79
98.94078827	0.25
107.1482544	0.35
109.2757187	0.21
112.7682419	0.32
114.959671	0.12
121.0247879	0.49
123.2639465	0.27
123.966156	0.16
125.0660553	0.08
127.1217194	0.35
134.9570465	0.43
137.0231628	0.19
139.0727997	4.50
141.0744629	0.49
144.6795807	0.24
147.1659698	0.50
148.7987976	0.12
150.9292297	0.28
152.9541931	1.06
155.0975647	1.00
164.8478394	0.29
166.9051971	0.24
171.1480865	0.64
175.1132965	0.13
180.9592285	0.16
183.144928	1.70
185.0043335	0.14
186.1244354	0.39
193.1478882	0.10
195.0215302	0.95
197.0009766	4.80
199.2691345	0.16
203.0379944	1.10
203.9868164	0.23
204.687439	0.11
207.0393372	0.36
209.1020203	0.87
211.0885315	0.58
213.2522278	1.18
215.0300598	0.14
217.0228271	0.16
220.1603088	0.25
220.9595947	3.51
223.1932678	0.60
225.3076782	0.42
229.1158447	0.64
230.755249	0.12
233.0250854	0.56
234.9179382	0.26
237.1016235	3.26
239.2134399	15.23
241.0476685	0.39
243.3121948	0.24
251.3360901	0.48
253.2295227	0.46
255.0577698	3.02
257.0168152	0.52
261.2662354	2.76
265.8301697	0.73
267.0365295	0.12
269.2368469	0.50
279.2232666	100.00
297.3899536	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	594.74
Annotation	Unknow
Peak:m/z	Relative Intensity
206.7293549	0.66
258.8036499	0.25
274.7458801	1.79
290.7106323	0.82
342.8321533	0.23
358.7102051	3.22
359.3660889	0.24
375.0210571	0.50
426.0661621	0.56
426.6981812	9.06
442.6603394	15.08
458.4031372	0.62
459.0317993	0.29
508.3418579	0.29
510.6567383	100.00
526.5375366	4.15
547.8776245	0.31
552.2292480	0.18
581.3019409	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	422.0577
Annotation	Gluconasturtiin
Peak:m/z	Relative Intensity
128.7397766	0.38
136.1177063	0.25
138.9509888	0.82
145.1089783	2.81
153.0690613	0.23
159.0187683	0.94
163.0705414	1.06
168.9802399	1.16
180.0400543	17.05
194.8440857	5.11
195.8285980	0.34
199.0435028	1.28
212.8766022	0.63
223.9029999	0.48
226.0627289	3.22
227.1763306	1.00
229.0854797	2.96
241.0224304	7.69
244.1091003	16.23
256.9267883	1.29
259.1096191	100.00
259.9473267	1.05
272.7295227	1.41
275.0271301	29.25
290.9696350	1.98
301.0706177	2.28
342.0509644	12.81
342.9899292	0.45
361.0240479	0.70
388.1727600	0.76
390.2919006	0.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	313.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
98.7244568	0.25
140.7872925	0.90
143.0850525	0.85
149.9456940	0.43
158.9989319	17.81
187.0333252	44.18
187.9367065	0.55
189.1826172	0.28
197.1431580	0.43
240.9153137	0.76
254.7430420	2.36
257.8056641	0.60
267.1820984	0.37
268.0321045	0.76
271.1996460	0.76
271.8815918	0.84
277.3867188	0.64
282.0423584	2.44
283.0474854	1.79
295.4052734	8.29
300.0350037	2.55
304.3014832	52.86
305.3755493	1.44
307.1874084	0.82
311.0810547	0.73
326.3105774	20.66
393.3325500	0.52
402.2572937	0.49
426.2346497	0.40
437.3143005	6.42
439.2301941	100.00
440.2717590	9.24
453.9800415	0.28
510.5490417	1.04
520.3340454	1.70
532.3948364	1.53
551.4155273	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0713
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
97.02713013	0.76
112.9809418	0.38
116.4542999	0.85
138.0305176	0.45
146.0862274	0.41
149.0666351	2.84
156.464447	0.51
162.1748199	1.18
163.9565125	1.34
165.2080841	0.35
166.0994873	1.75
167.1551971	0.70
169.1307526	1.05
173.999176	1.14
179.1546478	5.30
180.1459198	0.63
181.1596375	0.45
183.0231476	1.83
183.9342194	1.96
193.0033264	1.07
193.7001801	0.66
195.3218536	1.39
199.188736	1.32
204.4302216	1.27
205.1372681	0.67
206.0466003	3.62
207.2568359	14.72
208.075058	12.30
209.1429901	13.35
210.2950592	0.66
214.8125916	0.47
215.9083405	1.04
216.9173737	1.22
222.0622253	4.42
223.0834503	7.44
224.155838	2.13
225.243454	1.10
233.3170624	11.51
234.2819366	0.81
235.1371002	0.45
251.0640259	100.00
252.0881348	58.00
253.1030273	5.03
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
147.1068115	0.06
155.0944214	0.21
172.9017639	1.72
178.0946198	0.15
188.1144104	0.03
191.0111694	100.00
200.0189209	0.05
211.1045837	0.07
216.9832153	0.09
224.1392670	0.06
226.1748352	0.11
227.0621643	0.04
228.8420410	0.06
234.0155029	0.04
240.3356323	0.12
241.3075562	0.05
242.8941956	0.11
254.1487427	0.10
255.0215454	0.04
270.8579102	0.12
272.1441956	0.09
273.1506653	0.23
277.1904907	0.07
287.1467285	0.39
287.9865112	0.08
289.1341553	0.10
292.4035034	0.04
299.1388550	0.03
305.9646606	0.51
307.0425415	0.11
311.5448608	0.21
313.7895813	0.17
316.2158813	1.67
316.9806824	5.01
323.2567749	0.21
329.6368408	0.17
330.9854736	0.29
331.9917603	0.20
332.9694519	0.49
350.1150513	0.11
350.8941650	0.08
375.8547668	0.31
376.9860535	0.28
381.7374878	0.76
384.5753479	0.04
385.2087708	0.15
386.5643005	0.08
402.4054260	1.39
403.1648865	4.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	752.65
Annotation	Unknow
Peak:m/z	Relative Intensity
239.8472137	1.42
322.1206970	2.11
387.3577881	0.71
389.0906372	0.49
432.9628296	1.54
448.6860352	0.62
516.7082520	3.05
532.2618408	0.58
532.9888306	2.06
573.2106323	0.83
578.2018433	1.56
584.6821899	22.88
600.5142212	39.50
601.1883545	2.34
614.0988159	1.38
616.4709473	3.64
666.0149536	2.57
666.7103882	2.87
668.5388184	100.00
669.1747437	0.79
684.6140747	8.25
705.4240112	1.58
706.3519897	3.14
708.9253540	1.62
710.5097656	3.01
729.4190063	2.05
733.9587402	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	714.74
Annotation	Unknow
Peak:m/z	Relative Intensity
274.6389160	0.90
277.7632751	0.50
290.8871765	1.50
326.9362793	0.41
331.0964050	0.24
342.9672241	2.79
358.5321655	0.35
375.6680298	0.80
394.9745483	0.71
410.7053833	8.71
426.5444946	9.68
427.1556396	1.38
442.2168579	0.24
442.9723511	0.64
447.7062378	0.41
450.8045654	0.53
452.5167236	0.44
462.9032593	1.00
478.7576904	31.42
494.7588501	36.70
496.6705933	0.37
510.6547241	2.19
516.5054932	0.24
542.8029175	1.40
544.6160278	3.22
545.5504761	0.60
546.6084595	19.92
551.7894897	0.48
562.6873169	90.98
578.4777222	40.56
579.2041626	0.46
600.0910645	0.17
612.7593384	0.71
630.6227417	100.00
633.2144775	1.28
646.6303711	15.20
667.9442749	0.24
668.7744141	0.80
671.9000854	0.61
705.7916260	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	432.78
Annotation	Unknow
Peak:m/z	Relative Intensity
212.8764496	0.39
264.6655884	0.15
280.8336792	2.91
296.6877747	3.29
318.1767578	0.08
348.8140259	100.00
364.7279663	74.23
374.3579712	0.22
386.9421997	0.17
388.7884827	0.22
416.3938904	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	500.9193
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0207214	3.01
160.0104980	0.35
185.0482178	0.01
198.9742737	0.70
200.1120605	0.16
217.1240540	0.13
218.1944885	0.11
228.9788055	0.67
229.9971161	0.05
272.9962158	50.17
273.9842834	10.95
300.0020752	0.04
370.9182739	0.11
372.0252075	0.02
381.2392883	0.01
385.0161438	0.22
386.9478760	100.00
387.9542847	34.42
399.3706665	0.01
425.0841370	0.03
426.1142273	0.05
427.1153564	0.06
428.1353455	0.12
440.4376831	0.01
444.0037842	0.12
445.9040833	0.02
455.3095093	0.08
456.0676880	0.06
458.0917053	0.06
459.0580750	0.02
471.1617126	0.03
483.9331360	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	339.0719
Annotation	Sinapoyl-(S)-malate
Peak:m/z	Relative Intensity
132.858963	0.59
164.0672302	0.15
174.7640686	0.10
183.3339539	0.14
199.1786194	0.20
203.1154327	0.16
209.245575	0.19
217.2203064	0.09
219.065918	0.15
223.0707397	100.00
235.3945312	0.08
239.2102966	0.30
242.758606	0.08
248.4482422	0.23
249.1520081	0.28
251.0552368	0.12
259.3354492	0.11
261.3809814	0.07
265.9584351	0.23
267.0710144	0.27
271.0263062	0.15
273.0578003	0.61
275.2476807	0.28
279.3868713	0.34
283.0698242	0.41
285.3851013	0.17
291.2497559	0.19
293.0494995	0.47
295.1043701	2.04
303.2057495	0.85
305.2776184	0.19
307.1514893	0.68
308.1965332	0.45
309.2561646	0.66
317.973114	0.16
319.1497192	0.45
320.0375366	0.09
321.1502075	2.50
324.2652893	2.90
329.3987427	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	363.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
126.9238205	0.13
128.0448303	0.59
139.0413818	0.05
141.0805969	0.15
141.9986267	2.06
153.0739746	0.04
156.1488342	0.30
157.9248962	5.85
169.7196655	0.15
172.0705566	0.05
174.9953003	0.17
182.6751556	0.04
196.9714966	1.29
199.9859161	1.86
202.1186371	6.89
210.9885559	0.38
218.0615540	2.24
219.1726990	0.63
229.0304565	2.73
230.4283752	0.09
233.1076050	0.26
240.9457397	0.28
242.9426880	4.86
243.5792236	0.19
244.4134827	0.08
251.0491333	0.17
256.9595337	0.13
259.0588074	7.12
260.2885132	0.10
262.0588989	100.00
263.5159607	0.23
264.1483154	0.27
273.0614624	0.43
275.1449280	0.25
281.8300781	0.27
300.7365112	0.63
301.8901367	0.18
302.9924622	17.01
303.6102295	0.13
316.1398315	0.06
320.2378540	0.25
326.2059326	0.04
327.1440735	0.16
344.2228088	0.68
345.0593872	0.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.2783
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
140.0224915	0.49
186.8189087	0.18
195.9909058	1.35
198.9764862	0.37
201.3815155	0.39
204.0353699	0.19
214.234787	0.95
220.0131683	0.19
224.0033417	0.34
238.2173462	0.36
255.227478	100.00
255.8685303	1.04
271.2276306	0.32
283.4160156	1.01
319.8084106	0.26
326.9422607	0.79
331.3921509	0.73
348.1326294	0.43
355.9720764	0.27
359.7782898	0.34
366.2966614	0.35
369.3811951	1.32
370.1047363	0.38
372.5635376	0.27
373.1763611	0.71
378.5857849	0.93
380.3459473	0.85
387.223175	0.23
390.3495789	0.30
391.3453674	0.21
394.3683472	0.32
405.661499	3.72
406.6313171	1.66
407.5811157	1.63
408.1967468	0.69
408.9277649	1.45
412.2536316	0.58
414.2273865	1.01
415.7152405	4.08
417.4947205	0.43
425.1338806	0.77
431.901886	0.51
433.2960205	2.55
434.1927185	4.85
435.1056519	1.42
437.1958923	0.63
449.5672302	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2212
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
91.01190186	0.25
94.92142487	0.16
109.069313	0.87
110.6796112	0.26
115.0899048	0.28
121.0838928	1.20
122.8940125	0.81
124.9333191	0.41
129.1379395	0.37
135.055069	0.60
138.7794189	1.21
140.9816284	0.34
143.0580444	0.94
149.1889648	0.71
153.0111389	0.18
155.1155701	3.14
157.0848541	0.67
159.3786316	0.41
161.093277	0.20
162.9703369	0.20
164.7588654	0.22
166.8744507	1.62
168.8822327	0.96
170.7779846	0.16
173.0636444	2.33
174.7321777	0.16
177.0261688	0.32
181.0181427	0.66
182.9514618	1.40
185.1007996	1.11
195.0232239	2.86
196.4512024	0.41
197.1022644	2.32
198.3567352	0.84
199.2070923	1.14
200.8373108	0.59
205.0057068	0.47
207.15271	1.86
208.9893188	0.55
211.0733948	4.46
213.0011902	2.71
217.1621399	0.43
219.1557922	0.84
221.1260376	0.87
222.9498291	0.44
225.1479492	1.14
226.9263611	0.35
229.1976624	0.69
233.0420837	0.28
235.0360107	0.58
237.3459778	0.81
238.9966125	0.88
241.0524292	2.94
247.2596741	0.65
251.0529175	1.35
253.2158508	7.77
255.2837524	0.41
257.2966309	0.46
262.2463989	0.42
265.3267212	2.71
267.1517029	0.39
269.2329712	0.34
270.2973328	1.35
274.2006226	0.44
275.2457275	13.13
279.0299988	0.16
281.1459045	0.83
283.1534729	1.31
287.9881592	0.56
293.2205811	100.00
294.0628357	1.37
295.1566772	0.92
301.7779541	1.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	385.1139
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
135.1531372	0.17
149.0857849	0.49
163.994751	1.91
175.0852814	0.09
179.1437073	1.09
189.0620117	0.25
190.0054474	1.89
195.2770233	0.06
202.8308411	0.07
205.0505524	24.20
208.0065613	1.53
210.0057373	0.08
221.004303	0.85
223.0535583	100.00
223.6804504	0.34
232.1252136	0.50
233.1549988	0.48
237.2792053	0.29
247.0464172	25.11
247.7614746	0.04
249.4133606	0.17
254.9304199	0.06
263.3127441	0.51
265.1951904	3.55
268.2159119	0.09
270.2113647	0.06
277.3163452	1.70
279.1027527	0.23
282.9009399	0.14
289.209137	0.22
293.089447	0.08
295.153717	2.62
297.3031006	0.21
309.2078552	0.05
312.3084106	0.11
317.3926392	0.12
322.1094971	0.33
325.2886353	2.36
327.1037903	0.12
337.1837463	0.07
339.1940308	2.07
340.9881592	0.48
342.8921204	0.20
343.8614807	0.10
349.0975037	0.13
349.9180908	0.44
365.3270569	0.09
367.2295227	1.65
368.0712585	0.20
371.1805115	0.15
377.0437622	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	437.97
Annotation	Unknow
Peak:m/z	Relative Intensity
162.0643616	0.18
179.1079407	0.26
188.0792236	0.04
188.7999573	0.06
196.1569519	0.13
201.8240051	0.04
217.9129028	0.03
231.1244965	0.12
233.4101257	0.06
234.3672638	0.02
241.0953979	0.04
241.9189758	0.05
258.1748047	0.14
259.0495911	0.03
271.2060242	0.03
275.0439453	0.21
286.1252441	0.04
303.7917175	0.26
308.1564636	0.50
309.0927124	0.13
318.0855103	0.06
325.8511963	0.11
328.0460815	0.06
329.7705078	0.17
332.0571899	0.17
340.2987366	0.03
344.1536560	0.40
345.3709106	0.04
347.8088989	1.01
348.4150696	0.04
356.9958496	0.18
357.9183960	0.89
362.1829834	0.28
363.3974304	0.05
374.8555908	0.10
376.8724365	0.05
392.1638794	0.21
393.9972839	100.00
401.0338135	0.08
402.2495728	0.52
403.8030701	0.04
405.0731506	0.09
419.0522766	3.54
420.0122986	2.30
421.1215820	0.30
423.2417297	0.10
428.3695068	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	284.0983
Annotation	Crotonoside
Peak:m/z	Relative Intensity
108.9820709	2.19
149.0243225	2.95
152.0539703	100.00
247.272522	5.78
248.0341187	1.35
252.8095398	0.98
265.1520081	7.51
266.2368469	2.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	438.05
Annotation	Glucoraphanin
Peak:m/z	Relative Intensity
145.1821289	0.08
162.0503845	0.10
178.7575989	0.03
180.1179810	0.05
188.1740723	0.03
196.1197510	0.33
202.0143433	0.04
206.1302490	0.06
233.3477631	0.08
234.2672119	0.13
235.0917664	0.03
242.4138794	0.10
245.0039062	0.05
247.1936035	0.07
259.1126404	0.21
273.0263977	0.07
273.8922119	0.10
276.0687561	0.32
277.4244690	0.03
290.2586060	0.08
303.9639282	0.25
308.0718994	0.46
309.1653442	0.15
316.9031677	0.07
331.4100342	0.04
332.1444092	0.24
341.2912598	0.12
343.9782104	0.15
345.3004150	0.35
347.9122314	0.90
357.9315796	1.43
361.8184204	0.04
373.9484863	0.15
375.9043274	0.26
377.1799316	0.03
392.3926697	0.16
393.9799500	100.00
394.5893860	0.10
398.0545349	0.11
401.2742004	0.20
402.0068359	0.47
402.9860535	0.03
419.2495117	2.97
420.0001221	3.05
420.8710022	0.22
429.0479431	0.49
429.9255676	0.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
99.04827881	0.26
106.9588547	0.56
108.898468	0.94
120.8659744	1.84
123.2030334	0.58
124.8449402	1.26
132.9122925	0.20
135.2832031	1.09
137.0376282	0.21
144.836792	0.24
146.9215851	0.59
148.9714355	0.35
150.8564758	1.14
157.0968628	0.38
160.9093018	0.78
163.1891479	2.14
165.0209503	0.39
169.0845032	1.59
171.2215729	1.52
172.9762421	2.20
175.1265411	1.81
177.1652832	0.58
187.0331726	0.63
188.8659363	2.17
197.1574707	1.90
201.4264984	0.31
203.3786926	1.50
209.067688	0.72
210.9318542	0.69
213.095459	0.26
215.0236511	0.28
217.2201538	1.41
219.2164917	0.52
221.0075073	0.59
223.3387451	0.37
224.8363953	1.06
227.2150879	0.54
229.1143188	0.66
231.1282654	2.09
235.1076355	0.19
245.105835	0.74
247.2855225	4.15
259.2712097	1.20
267.4165039	1.96
271.083252	0.35
281.2721252	0.68
285.5162354	0.16
295.3077393	0.58
296.6204224	1.83
297.6061401	0.80
299.2140503	2.34
305.3705444	3.54
323.2347107	100.00
323.8466492	0.76
341.3998108	1.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	652.79
Annotation	Unknow
Peak:m/z	Relative Intensity
248.9000702	1.30
265.2195740	3.68
316.9578857	1.81
332.6394958	7.17
400.7174683	13.11
416.8232422	14.40
432.5270386	3.50
484.7553711	54.56
500.5778809	27.86
568.4589844	100.00
569.1715698	10.48
584.1255493	1.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.242
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
95.0597229	0.17
99.11061096	0.29
99.86901855	0.51
100.9915848	0.42
105.3290405	0.11
108.9752579	1.86
113.0044861	0.35
118.9336624	0.24
120.9573517	0.91
124.8678131	0.45
127.0291061	0.82
130.8283386	0.21
137.9030457	0.37
138.8965149	3.59
140.8968506	1.31
143.1712952	0.31
147.3118591	0.40
153.0271606	2.95
155.0042725	0.52
163.3958282	0.09
165.1009064	0.23
166.9876556	0.73
167.92099	0.13
169.0290985	0.27
171.1371155	0.56
179.1337128	0.23
181.270874	0.17
182.0774384	0.34
183.2641602	1.33
185.1072998	0.76
192.179306	0.25
193.4041748	0.69
195.2095032	0.57
196.995224	5.62
200.8402405	0.44
202.953064	1.50
207.2901001	0.33
209.109436	2.33
211.0908813	1.31
213.0960693	1.00
217.4292603	0.62
218.9276733	0.71
221.2449646	3.38
222.9440613	1.04
224.1919556	0.21
225.0696716	0.74
227.1499634	0.19
228.3355103	0.17
229.1289978	0.81
233.4439697	0.48
234.9848633	0.77
236.305603	0.27
237.2600403	2.26
239.1992798	8.64
241.27948	0.44
243.2155762	0.98
247.1898193	0.17
251.3008118	1.26
252.3146973	0.18
253.3016663	1.69
255.24823	0.85
257.3449707	0.58
261.2734375	2.42
269.0697021	0.33
270.8823242	0.14
279.2319641	100.00
280.2171631	0.68
281.0429688	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	718.25
Annotation	Unknow
Peak:m/z	Relative Intensity
208.9628906	0.50
223.1268311	1.32
233.9768066	0.27
251.1134949	2.77
252.2231598	0.21
256.0409546	5.16
263.0085449	0.28
273.0271912	0.14
284.0939331	6.04
285.0981750	1.66
287.1484070	0.14
290.4071655	0.35
322.2167358	2.98
326.2088623	8.77
339.0443726	0.66
340.2060852	0.42
356.3576660	1.20
357.2590332	1.15
368.1329956	0.45
369.0648804	0.66
387.2300415	0.98
397.1548462	6.60
398.0534058	1.39
399.1505737	0.38
400.3014526	0.48
404.5132446	0.70
407.2461548	0.94
408.3867798	0.77
409.6454468	0.40
434.7959595	0.42
435.4008789	3.90
436.2917480	0.62
437.2273560	0.22
439.3823853	1.26
440.2938232	0.85
452.2696533	0.13
454.3276367	0.29
464.8318481	0.33
466.3057251	0.47
467.5717163	0.20
469.3074951	0.24
473.9483032	0.22
475.3263550	2.01
480.2821655	0.43
481.9274292	1.65
485.2512207	0.19
486.2246094	0.14
493.5464478	0.46
495.5288696	0.59
498.2745361	0.46
498.9294434	0.13
510.2975464	20.86
511.4428101	3.27
512.4042358	1.25
519.3620605	1.03
520.0185547	1.13
520.6636353	0.19
526.2698975	0.27
527.0377197	0.75
528.5004272	1.87
529.4397583	0.33
539.5189819	0.90
544.2739258	0.17
551.3687744	0.46
558.8864136	0.45
565.0322266	0.14
566.7653198	0.96
567.3731079	1.08
568.0144043	0.35
576.0628052	7.37
576.9460449	4.57
577.5461426	0.35
579.2881470	1.07
580.4118042	0.89
586.5087891	0.35
587.4852295	0.60
594.9401245	1.19
598.2324829	3.23
599.4458008	5.55
600.6336670	0.36
601.5985107	0.33
607.2457886	1.26
608.5484619	2.72
609.7405396	21.14
610.5935669	4.52
611.2122192	0.14
614.6362915	4.53
615.5607300	0.79
620.9954224	0.89
621.8838501	1.30
623.5928345	100.00
624.6084595	19.76
625.4309082	6.99
626.1985474	0.38
627.8314819	0.88
628.4973755	0.54
629.7660522	0.70
632.6067505	2.81
639.2906494	1.54
640.1766968	0.83
641.2789917	0.93
644.0898438	0.16
650.3820190	0.52
657.6111450	0.32
661.2459106	5.07
663.5545654	0.31
666.2490845	12.58
667.1758423	1.17
671.0696411	2.77
671.9954834	2.73
672.6229858	0.32
673.4837646	0.88
677.6177368	1.95
680.1324463	88.81
681.0778809	9.25
682.3041382	12.79
683.2473755	5.06
683.8601074	0.20
684.6199341	0.91
685.6918945	0.22
687.5349121	0.83
689.7563477	0.24
692.5111694	1.01
694.1682739	0.92
695.0225220	1.86
695.6515503	2.76
696.5479736	0.21
698.7644653	0.57
699.8408813	2.51
701.0861816	0.43
703.3096313	0.13
708.7412720	21.03
709.9675903	2.20
710.8449097	0.58
724.1229858	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	434.0614
Annotation	5-Methylthiopentylglucosinolate
Peak:m/z	Relative Intensity
128.0067596	0.52
128.9791565	1.46
138.8750153	1.97
145.0642700	2.20
163.0872345	2.53
169.0742188	0.34
177.1783142	0.19
177.9642029	0.35
192.0932922	6.80
193.1479950	1.52
194.9133911	5.37
196.1016998	0.62
199.0384827	0.71
199.9031372	0.33
202.0211945	0.20
209.0416412	0.19
211.0211792	4.99
211.9949341	0.77
223.7498627	0.12
225.1149597	0.21
226.0111084	0.44
227.0215759	4.62
228.2434998	0.37
234.2945557	0.23
235.1021118	0.19
238.0446472	6.03
239.1158752	0.55
241.1105957	8.00
242.0263062	1.12
242.9215698	0.26
256.1610718	12.61
257.1148987	0.56
259.0017395	100.00
260.0739746	10.02
274.3642273	1.57
275.1031799	27.24
275.9213867	3.45
285.0001526	0.16
290.9607849	6.57
291.9717407	1.11
354.2664490	17.43
355.2895203	4.16
356.1113281	0.39
357.2063599	2.72
358.2397156	1.34
384.6289978	0.23
388.9723816	0.54
390.3457947	0.27
400.1059875	0.32
403.2676086	0.25
416.1609192	0.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	476.2779
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
139.8802032	0.38
164.9136658	0.24
170.228241	0.38
183.0884094	0.22
200.9942932	0.14
212.8143311	0.79
214.1170654	2.96
254.0187683	0.22
279.2402954	94.65
280.3400574	100.00
285.3762207	0.48
291.3526001	0.14
293.1994629	0.67
312.4525146	0.30
328.3174438	0.16
333.0650024	1.29
348.8687134	0.51
357.1422424	1.35
363.1603699	0.59
387.5732422	0.50
393.2477417	0.23
409.2723389	0.27
414.2304993	0.19
416.1996155	0.16
421.5426941	0.84
424.183075	0.48
429.7380676	0.26
431.2789001	1.56
433.2124634	3.01
437.7469482	0.24
440.3365784	0.47
442.1506958	1.36
446.2634277	0.51
447.6656494	0.21
453.0827637	0.27
458.9718933	2.71
459.8968201	0.49
461.1175232	0.23
474.2110291	0.34
476.650177	0.20
478.0718689	1.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.86
Annotation	Unknow
Peak:m/z	Relative Intensity
122.7701187	0.25
162.0439453	2.45
164.0056763	0.34
190.8704529	0.97
207.0708618	24.72
258.8645630	87.67
274.8590698	100.00
324.8497925	0.52
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	482.41
Annotation	Unknow
Peak:m/z	Relative Intensity
145.0132446	0.18
157.0122070	0.34
165.1343231	0.50
169.1161194	0.14
170.9171753	0.14
173.0375824	0.13
203.0936279	0.11
206.8500977	0.32
213.0970917	0.17
223.0089722	0.20
223.8485107	0.10
226.0303802	0.53
235.3047638	0.18
236.4287872	0.10
239.2896118	0.47
247.1595001	0.25
265.1811829	0.24
270.9106750	0.99
273.3901062	0.22
276.1312256	0.25
283.1828003	1.57
293.0610962	0.22
294.1979980	0.44
296.4580688	0.51
301.2719727	0.60
305.3975830	0.39
314.8369751	0.38
323.2716675	0.30
330.8551025	0.24
339.0360718	0.37
341.9546814	0.10
343.7205811	0.23
351.9401245	0.30
357.2588196	0.48
359.2691956	0.21
363.2102051	0.23
365.9805603	0.15
368.2545471	0.11
370.2272339	0.14
375.0952454	0.80
378.0669861	0.20
384.2895203	0.41
394.3778687	0.26
395.1197815	0.11
397.3247986	0.17
401.3664246	0.10
404.2689514	0.40
414.6975708	0.39
415.5314331	0.66
416.3442688	0.36
419.5952454	0.68
422.3525085	0.19
424.5403748	0.22
426.1488953	0.22
429.0529480	0.43
430.8192444	0.38
433.2102966	0.99
434.3015137	0.11
436.1689758	0.49
437.2752380	1.45
438.3176575	0.41
441.0952759	0.10
441.9108276	1.11
443.9269714	0.22
446.2516174	1.31
446.9499817	0.16
448.4787598	0.10
450.3026123	0.38
451.1153870	0.83
454.5419006	0.09
459.6415100	0.31
464.0962524	5.79
465.2624817	100.00
466.1396790	0.54
494.4828186	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	483.139
Annotation	FL 120C
Peak:m/z	Relative Intensity
143.6836853	0.16
145.1878510	0.30
162.0938873	0.72
176.0156555	0.06
178.8970642	5.37
199.1179810	0.53
204.9495239	0.18
210.0854492	2.08
221.0433197	2.00
225.9153595	0.09
233.2324219	0.61
234.0900269	1.36
247.3638306	0.10
251.0690918	5.00
255.9617004	0.93
257.1438599	0.10
272.2839966	0.11
274.1661377	1.38
278.9222717	5.08
289.0144958	0.22
297.8776855	0.28
308.1618652	4.94
320.2321167	3.04
325.4596558	0.64
337.1094360	20.13
340.9036255	0.27
347.6902466	0.11
354.0496521	100.00
359.1151733	0.19
403.3031311	0.10
408.2250366	11.55
409.4874573	0.39
415.0202942	0.41
434.4470520	0.19
436.3870544	0.10
437.1683960	0.15
439.5498657	0.11
450.2135315	0.30
454.1886292	0.55
459.3384094	0.19
465.1308289	2.37
465.8457947	0.40
469.0677795	0.10
473.1329041	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	562.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
203.9750824	0.02
213.3028717	0.02
233.3797302	0.05
235.2233124	0.02
262.3229980	0.01
277.3114014	0.47
278.5283813	0.03
279.2398682	0.03
289.9289551	0.05
291.4954224	0.01
358.8477783	0.03
373.3859253	0.02
412.7575684	0.05
413.3784790	0.01
429.4298096	0.01
430.4238892	0.01
431.3168335	0.06
437.2819214	0.01
447.2838135	0.01
448.2106323	0.01
466.4449463	0.06
472.2883911	0.05
473.2407227	0.01
475.6837769	0.01
476.3109131	0.03
477.2748413	0.01
480.0542603	0.03
485.5487671	0.02
490.4467163	0.01
502.3314819	100.00
503.3630981	0.27
506.1550903	0.01
510.2115479	0.05
515.1629028	0.12
516.3065796	0.04
525.2684937	0.01
526.1170044	0.02
544.2885742	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	720.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
296.9930115	0.25
319.8995361	0.47
390.9318237	0.30
468.5993042	0.59
559.5213623	0.35
561.6467896	0.18
574.4833374	0.23
581.3773804	0.15
607.7200317	0.74
608.5966797	0.17
622.2481079	0.32
628.4802856	1.00
643.4552002	1.31
644.9937134	0.82
650.0328369	0.69
652.3699951	0.11
657.2809448	0.70
671.4550171	0.11
678.2205811	0.32
681.8553467	1.57
685.2096558	0.79
687.5481567	8.39
688.6941528	1.59
689.3618774	0.31
701.6141357	0.34
702.2410889	0.28
708.6004028	0.66
709.7870483	0.39
748.8801880	1.97
807.6542358	0.40
816.3387451	1.07
817.2241211	0.67
820.1978760	0.29
826.6712036	0.49
830.9827271	16.24
831.7382812	0.15
838.5021362	0.26
852.1957397	5.07
854.6895142	1.94
859.2289429	42.05
860.4589233	0.92
861.4887085	0.55
863.2760620	1.04
869.6084595	1.07
888.1325684	0.16
895.6984863	0.10
900.4479370	0.37
919.6623535	1.64
931.2725220	2.38
932.4530640	0.41
941.2605591	0.48
964.1339722	0.62
1012.9714360	1.22
1058.1022950	0.14
1095.6430660	0.13
1107.5987550	13.28
1108.3298340	0.63
1148.8640140	0.79
1204.5310060	0.18
1241.1280520	0.44
1342.4176030	0.33
1569.4173580	0.08
1692.2784420	0.41
1744.4010010	0.22
1752.3883060	0.36
1754.5858150	0.15
1798.2316890	1.38
1813.3557130	0.48
1834.6575930	0.79
1853.8063960	0.19
1855.9383540	0.18
1875.8513180	0.54
1878.6662600	100.00
1898.3055420	1.54
1905.4302980	0.15
1908.1304930	0.12
1910.2512210	12.41
1918.7576900	0.51
1923.5946040	0.33
1933.6905520	6.38
1936.1834720	0.20
1939.5264890	0.68
1944.3146970	1.03
1948.1334230	0.17
1950.8526610	0.31
1952.2088620	0.51
1957.5928960	0.82
1960.2135010	0.26
1963.9117430	0.30
1970.3311770	0.20
1972.7482910	8.38
1973.3854980	0.08
1974.0412600	1.29
1975.3879390	0.13
1979.8853760	0.17
1982.6145020	57.45
1984.2684330	0.19
1988.2232670	0.21
1989.3499760	29.40
1994.3142090	0.11
1998.9587400	5.78
1999.8424070	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.05
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
159.0851440	0.14
175.1501312	0.10
182.1553192	0.03
193.0650940	0.11
195.2644958	0.05
199.2902832	0.18
211.0540314	2.95
221.2989044	0.04
239.0365448	0.02
241.1163635	1.16
245.1706390	1.26
258.8886108	0.39
272.9996643	0.09
279.5582275	0.03
280.2471924	0.50
282.0598145	0.04
291.0845947	0.07
297.0325928	0.02
298.4783936	0.02
305.1010132	0.23
314.9314575	0.06
321.1630859	1.26
323.0894165	100.00
326.7001953	0.04
329.3028564	0.03
338.9990845	0.02
341.8024292	0.02
343.0165405	0.02
345.0528564	0.11
348.9620972	0.06
355.1985474	0.26
356.1070557	0.02
357.2671509	0.03
363.0073242	0.28
364.0129395	0.05
368.9392700	0.94
372.8562012	0.07
379.1917725	0.05
380.4697266	0.12
381.1457520	0.10
381.8396606	0.05
384.0166016	0.05
385.1687622	2.38
395.1481323	0.04
400.9312134	0.07
403.1343384	3.69
407.8856812	0.02
415.9777832	0.07
417.8969727	0.38
418.8934326	0.70
421.2725220	0.02
425.8837280	0.05
429.2571411	0.55
431.8961182	0.18
433.0256348	0.07
449.0371704	0.05
452.9605713	0.05
459.1218872	0.07
466.7429810	22.98
467.4436035	0.27
488.2465210	0.09
490.9984131	0.10
504.3252563	0.16
508.8681030	0.02
518.8246460	0.07
521.6384888	0.11
523.7015991	0.02
526.4072876	0.08
527.0092773	0.05
528.5203247	0.04
546.1619263	0.34
547.1348267	0.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
95.05465698	0.45
96.85023499	1.43
122.9453583	0.32
125.1309662	0.24
130.7937775	0.40
133.0682678	1.42
138.7621765	0.56
140.9379578	0.24
144.9165039	0.37
157.0013733	0.52
164.9484558	0.24
171.3547211	0.91
175.0482178	0.29
179.0721741	1.29
182.9333191	1.83
185.1689758	0.69
187.1991882	1.04
195.1607208	1.86
197.1802063	1.05
199.0520935	0.21
201.0846863	1.35
202.8971863	0.70
207.2091064	1.27
208.721344	0.27
209.3232422	0.45
210.9316711	1.58
213.2404175	1.84
221.1688538	1.69
223.0561523	0.63
229.1645508	0.47
233.2436523	0.63
235.2392273	1.55
237.0276489	2.80
239.1953735	7.49
241.4761047	0.19
243.4118347	1.73
251.1109619	5.44
252.2633057	0.53
253.4350281	0.78
254.7974854	0.94
255.931488	1.72
257.100708	0.82
261.3059692	6.44
267.16745	0.45
268.4272461	1.11
269.3637085	1.21
279.2320251	100.00
281.1307983	3.58
282.6140137	0.73
288.5217896	0.94
297.0539551	1.20
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
88.046875	2.92
113.0650101	2.68
133.0041809	1.28
139.1768494	1.64
140.8576965	2.37
154.9275513	2.89
157.1622314	1.38
161.1434021	3.84
163.0313263	0.56
164.8836517	1.36
170.9851685	1.16
182.8832092	3.19
188.8883972	1.52
191.1080017	0.56
193.0538635	0.62
195.0518799	2.82
196.9710999	4.34
207.34198	0.78
211.012146	1.52
213.1071167	2.75
221.5447388	1.36
227.0177307	2.88
231.3082275	0.74
233.3186035	0.86
235.2880859	1.18
237.113739	2.60
239.0913086	5.30
240.7545776	2.24
243.2375793	2.06
245.2266846	2.63
246.9752502	0.98
248.2222595	1.60
251.2897949	3.89
253.0076904	17.21
255.0974731	1.14
257.3310242	2.87
265.2075806	4.43
269.2478027	0.74
270.2219849	0.98
275.2210693	27.96
283.2743225	1.32
293.2025452	100.00
294.1972351	2.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.048
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
172.9224854	0.13
193.1297302	0.32
211.0148163	2.37
223.1025391	0.17
232.0789642	0.06
241.009903	0.75
241.8783112	0.12
244.1118774	0.12
258.8677368	0.13
262.2860718	0.09
273.0501709	0.16
280.039032	0.96
283.0336304	0.12
305.2363892	0.14
310.8015137	0.11
321.0509644	0.92
323.0374146	100.00
324.2225952	0.11
352.2156372	0.06
354.9585571	0.08
373.3890991	0.23
377.24646	0.19
384.9810791	2.23
401.927124	0.24
403.0960693	1.85
430.1129761	0.14
431.0791626	0.53
443.824646	0.11
502.041687	0.13
518.6188354	0.17
545.2039795	0.16
546.0390015	0.12
547.0617065	0.57
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	307.0825
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
129.9784851	42.57
131.0205383	1.97
145.2778168	0.21
153.0714417	0.19
161.7186279	0.17
165.2454529	0.74
177.2474518	0.61
179.1249084	1.97
199.1142273	0.62
211.0068665	0.76
215.1603699	0.32
231.0285645	1.10
232.9996948	1.04
234.2155457	0.24
238.0284729	0.58
242.7207642	29.61
243.6054077	0.34
244.9461060	0.58
246.8627930	2.10
256.3027649	0.34
256.9314270	0.56
260.9931030	2.38
261.7467957	0.64
265.2080688	0.80
267.1529541	1.29
268.0564880	0.30
269.6520996	26.71
270.6407776	3.58
271.4561768	0.63
274.4184875	0.63
275.6766968	42.11
276.7615967	2.05
277.8100586	0.30
278.7032471	0.50
280.1501465	0.16
287.6198730	0.10
288.9801025	0.78
290.1135559	1.10
291.2059937	1.22
292.2620850	0.10
298.6658325	100.00
299.7005615	3.55
308.1959229	0.39
336.8403931	0.17
337.8888245	0.69
340.2057190	0.68
355.1304626	76.34
356.1775818	14.51
357.2059021	4.54
363.9703674	0.31
381.1376343	7.23
382.0223694	2.22
383.2801208	0.93
409.1644592	11.46
410.2588806	1.81
411.1932068	0.09
413.0464783	0.41
421.2870178	0.45
427.4802551	0.30
444.8324585	0.41
455.1337585	0.27
466.2335510	3.74
467.1105652	0.88
468.2340393	0.17
476.2660828	0.08
484.1312561	72.11
485.1492004	16.25
486.1991577	5.28
520.1857300	0.41
521.2545776	0.71
522.3310547	0.34
538.1777954	14.79
539.2482300	2.43
540.0706787	0.59
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
124.9758606	8.09
148.959137	11.73
153.0221558	4.74
162.6476593	5.92
165.9791718	3.40
174.9766998	3.01
180.1567535	6.07
190.221756	5.42
192.0943756	2.74
193.173111	3.23
194.9572296	10.33
207.1302795	21.61
207.9363861	13.24
209.2873383	13.54
210.4027863	13.73
211.1827545	6.57
214.983963	31.90
216.072525	4.29
216.8462067	18.84
222.2598724	5.66
223.182724	54.46
224.0201721	14.63
233.197876	16.12
233.8629761	2.06
237.0942383	9.72
251.0731659	95.78
252.2288818	100.00
252.8317261	3.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.0474
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
159.0097046	0.01
162.7017517	0.01
176.9014587	0.07
182.2452698	0.01
192.8806458	0.02
211.0878906	2.41
212.1250610	0.08
241.0545654	0.90
242.1099396	0.03
259.1456299	0.05
262.1319275	0.02
273.0085144	0.08
280.1062012	0.73
281.2223511	0.12
305.1040344	0.11
321.0324707	0.45
323.0656738	100.00
324.0676880	9.11
385.1010132	1.87
386.1448975	0.31
397.0245361	0.02
403.0277100	2.83
404.1446533	0.23
430.7426758	0.05
448.9376831	0.02
452.9967651	0.01
467.0180054	0.21
479.8095093	0.01
481.3580322	0.05
482.1707153	0.06
482.9818726	0.06
497.9738159	0.01
520.1432495	0.06
521.9464111	0.08
547.1106567	0.47
548.0526733	0.13
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
121.2507935	0.44
129.2015076	0.17
131.0420074	2.42
135.1173553	0.96
138.8272247	0.73
143.1040039	1.55
150.975647	0.48
151.7889709	1.22
155.1245728	1.04
161.3361969	0.30
168.73909	1.21
175.1442261	0.22
177.1915283	0.94
178.3729858	1.05
180.9898529	0.89
183.3463745	0.75
187.284668	0.92
190.5674744	0.49
193.8674927	0.25
197.1607513	1.61
201.451416	0.60
203.3212585	0.37
209.203064	0.66
210.8503723	1.32
213.3608704	0.25
215.1091309	0.68
220.9114685	0.73
226.8502808	0.27
228.3521423	1.11
233.1138	0.58
235.2105408	1.10
237.2773438	0.87
245.5333862	0.82
249.383667	1.53
251.2962952	2.89
252.9760132	4.35
255.1690369	1.03
256.2962036	0.27
257.3665771	1.50
264.9959717	1.53
267.2982178	0.46
268.8912048	0.49
270.1486816	0.93
273.0305786	1.37
275.1085205	9.51
277.5022583	0.37
283.1717834	2.17
293.2186279	100.00
294.086792	0.91
294.8308411	0.95
299.9478149	3.54
302.1566772	1.46
310.4971924	0.66
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	309.12
Annotation	Bisdemethoxycurcumin
Peak:m/z	Relative Intensity
98.94804382	1.11
100.9736023	3.49
113.1420135	1.99
128.0540314	4.38
141.1037292	3.88
145.9518127	57.40
147.0430298	100.00
174.9398193	6.18
178.9690552	6.48
180.2265778	3.13
184.2739105	1.52
189.278595	1.31
210.3345947	3.48
214.3857727	2.74
249.197937	4.32
263.1475525	2.76
263.8684998	1.42
267.9854126	5.84
273.1800842	9.49
277.1785583	5.51
281.3447876	4.89
288.9733276	2.04
291.2768555	8.98
300.1179199	2.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	969.48
Annotation	Unknow
Peak:m/z	Relative Intensity
441.2822876	0.34
617.5848999	0.40
673.8855591	2.02
751.3768921	0.16
857.0401001	0.29
885.7999878	0.53
897.8699341	0.93
900.6835938	0.23
942.6936035	0.69
946.8781738	0.28
950.7970581	1.16
951.8663940	0.43
1074.3809810	0.80
1093.4093020	1.76
1142.4440920	3.56
1144.4995120	0.48
1180.6533200	2.14
1181.7360840	0.51
1229.6761470	0.71
1388.0659180	0.96
1599.5496830	1.07
1692.5451660	1.42
1734.3312990	3.01
1746.0255130	11.03
1758.0096440	2.25
1828.1418460	0.09
1842.1436770	0.13
1843.5640870	47.90
1851.0479740	0.47
1851.8488770	2.28
1855.6477050	0.16
1866.5474850	0.27
1869.7584230	0.66
1874.9367680	100.00
1877.4572750	0.16
1885.5183110	0.22
1887.3590090	1.12
1891.8975830	1.45
1894.7359620	1.67
1900.9383540	0.30
1903.5660400	0.36
1906.9512940	0.29
1909.7419430	1.08
1912.8214110	0.66
1915.3215330	6.37
1918.3323970	0.76
1919.8634030	1.92
1920.9012450	1.03
1921.9997560	0.51
1927.5531010	0.27
1932.9698490	4.75
1934.7102050	0.34
1935.4064940	0.32
1936.7266850	0.12
1939.5460210	14.58
1950.2423100	1.89
1950.8885500	0.28
1951.7200930	0.32
1953.9569090	0.29
1954.9830320	0.13
1955.7541500	0.56
1956.3970950	9.55
1957.8238530	0.50
1958.5784910	0.54
1959.7218020	4.48
1962.7320560	4.58
1966.2164310	0.20
1967.9187010	1.25
1968.5994870	95.19
1971.2567140	0.95
1978.8455810	0.94
1987.8409420	0.54
1989.2261960	1.96
1990.2513430	0.15
1991.1751710	0.53
1993.5466310	1.18
1996.9451900	0.31
1997.9348140	8.51
1999.3303220	3.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	603.0026
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
181.0875244	0.19
196.6142273	0.04
211.0295868	3.19
214.9755554	1.44
218.1607361	0.06
232.9801331	0.20
241.0435944	4.06
244.3644867	0.05
256.9848022	1.16
259.0067139	0.14
262.0537415	0.71
263.1756592	0.10
265.0449829	0.06
267.0915527	0.09
280.1208496	1.61
285.2626953	0.08
286.8612061	0.14
299.1837158	0.18
304.8708801	0.17
310.9284363	0.31
317.0391235	0.05
318.1527710	0.09
321.0940552	0.04
323.0955811	100.00
329.0477905	5.24
334.1920776	1.08
348.6495972	0.30
350.6379395	1.06
352.0485229	0.21
353.9309692	0.25
359.1159058	4.84
361.2110596	0.07
364.2427368	0.08
366.6304932	0.40
370.1702271	0.14
370.9563599	0.21
372.1381226	0.15
377.0709229	10.32
380.0072021	0.17
381.4197998	0.10
382.2546387	0.06
388.0532837	0.37
398.1486206	1.15
401.4652710	0.05
406.2465820	0.22
414.7572632	0.32
419.1599121	3.15
423.0931396	3.33
424.3386841	1.75
425.2517090	0.05
426.1232910	0.15
428.8156128	0.06
431.2214355	0.21
432.6821289	1.67
434.1342163	0.45
434.8453979	1.63
436.6704102	0.15
440.1713867	2.24
441.0980225	36.27
444.0742188	0.19
446.0485229	0.23
449.0341797	0.74
450.6726074	0.33
452.0648193	0.55
453.3244629	0.09
458.1610718	0.69
462.4522095	0.12
465.3025513	0.05
466.8737793	1.16
468.1597900	0.14
470.0631104	13.12
471.0133667	0.06
482.0036621	0.22
483.1511230	29.72
485.1725464	0.42
486.1847534	0.14
488.2017822	1.39
491.1038818	4.37
500.2015381	0.06
516.5179443	1.35
518.7217407	23.56
524.0728760	1.28
532.2141724	0.13
533.9471436	0.06
534.7632446	0.87
542.1215210	1.85
560.0945435	61.79
585.1289062	22.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	348.8958
Annotation	Unknow
Peak:m/z	Relative Intensity
113.0050507	6.07
154.0720825	1.73
180.9581909	5.93
213.0459137	4.05
264.8146362	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2627
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
81.00891876	0.74
82.9291687	2.17
88.88686371	0.40
94.97805786	3.03
96.9045105	3.48
98.93063354	0.41
99.53146362	0.34
100.9927979	1.79
107.0023346	2.72
107.9010315	0.60
108.9190063	2.69
110.2144775	0.53
113.0111237	0.31
114.9047699	3.85
116.8986053	2.05
120.9545364	1.83
123.1100311	3.12
125.1143494	1.45
129.0103455	0.94
135.0059204	7.81
135.8113098	0.83
137.2240906	0.88
138.0080872	1.41
138.9071045	3.16
141.0766907	2.01
142.986084	0.71
145.1239319	3.20
149.1388245	6.71
151.0704041	1.03
152.8468628	0.64
155.0601654	3.53
161.3265076	0.60
163.2059021	2.39
164.9936523	3.55
168.8502655	4.73
170.9704437	2.53
173.1266022	0.95
177.2572174	0.47
182.9147949	2.18
185.243103	2.34
186.8262024	0.34
189.1801147	0.63
191.2394409	6.13
193.2687073	1.36
195.2182617	0.86
198.9682617	1.82
203.2276001	0.40
205.098999	5.13
207.1442871	1.10
209.1156616	2.55
211.107666	3.83
212.2562256	0.80
213.0879517	2.26
219.1581726	0.70
220.9372253	0.41
221.6967163	1.13
223.0540771	3.70
224.7462463	11.67
225.4301453	0.63
227.7331543	3.70
237.1986694	9.74
239.0568848	10.63
241.2371216	2.60
243.1447144	0.41
245.3187256	1.55
247.2488403	29.60
247.9028931	1.55
251.8963318	0.35
253.1765747	1.13
255.3165283	2.10
256.1088257	0.47
264.6465454	7.69
265.254425	100.00
266.2005005	0.73
271.0898438	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	529.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
227.5260162	0.10
229.2489319	0.46
235.2771606	0.35
238.2393494	0.11
239.3834534	0.11
246.1860046	7.20
256.0001831	2.33
283.9913025	16.30
284.6172180	0.24
300.5925293	0.07
324.2808228	0.19
326.1770630	0.35
342.3583374	0.22
346.3391724	0.05
349.4058838	0.08
353.4690552	0.13
359.2811890	0.19
361.1829224	0.61
366.0948486	0.08
368.3901367	0.38
369.2100220	2.03
397.2215576	100.00
399.1134033	0.26
409.7493896	0.09
411.3372192	0.08
414.3927612	0.22
415.6007080	0.17
416.2750854	2.58
427.3187866	0.10
437.2581177	0.08
453.2542725	0.25
465.0790405	0.12
469.2315063	0.09
483.6923828	0.07
494.6341553	0.11
498.1683350	0.29
499.2920532	0.11
501.0773315	0.28
503.0173340	0.94
508.1066895	0.06
511.3310547	4.68
512.2097168	1.21
520.1491089	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	687.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
222.8944397	0.38
259.7288208	0.22
325.2071533	0.32
363.0982056	4.84
380.9692383	0.26
435.7028198	0.28
481.3022461	0.34
505.5968628	0.11
516.4826050	0.15
525.2128906	100.00
526.1730347	1.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	Deoxyinosine
Peak:m/z	Relative Intensity
105.1602631	0.41
138.9440765	1.90
144.9281616	1.04
149.1631775	1.47
153.3780518	0.57
160.6717072	0.36
165.1292114	2.49
167.2754517	0.32
169.1566162	0.89
176.9641876	0.66
178.9742889	2.70
181.1757355	0.87
183.1158295	1.69
189.2376251	0.97
190.1142426	0.57
192.8583527	1.08
194.3500519	1.01
195.003067	1.91
207.1171417	15.03
208.2122345	5.01
209.1966705	4.08
214.9491577	2.09
216.092392	0.81
221.6655731	6.66
223.1038971	15.86
224.0418701	0.45
230.9981537	0.55
232.708374	6.01
233.4468231	2.66
235.2869415	1.39
251.0805054	100.00
252.1139984	16.54
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
91.15863037	1.74
126.823761	1.06
129.0651093	4.68
137.042038	1.70
138.8584595	1.34
141.0833435	0.71
142.9517822	4.67
147.19104	1.81
150.6967468	1.85
168.9290161	3.42
171.2454071	1.43
185.1698303	3.17
188.9200439	1.43
192.0626526	2.88
197.1712646	4.20
200.3891296	1.22
207.3231201	7.13
222.9967651	1.79
227.1332092	2.87
229.318512	3.14
239.0344849	0.93
242.1326294	1.49
243.1655273	4.57
244.1918945	0.56
245.027832	4.55
249.0648193	3.87
252.9048157	0.92
267.2049561	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	315.2541
Annotation	CHEBI:79290
Peak:m/z	Relative Intensity
139.1104279	1.17
140.8905945	0.69
147.9295959	0.57
173.06633	1.77
199.0024567	2.01
211.1368408	0.53
217.112793	0.49
222.9886169	1.05
225.1976929	0.57
240.8005676	2.59
241.4014893	1.97
251.2269287	3.32
253.2594299	72.37
253.8737793	2.54
255.2583923	0.61
256.7549744	0.93
267.4301147	1.41
268.9519653	1.05
270.8587646	4.76
271.9569702	2.51
273.3623047	0.53
274.4160156	0.77
278.9465942	2.04
281.1158752	1.87
281.7724915	1.00
283.4946899	0.95
286.4595032	1.09
287.2830505	0.97
296.0905151	1.33
297.2388611	100.00
297.8947144	2.96
299.1549683	1.66
300.1308289	0.97
300.7976074	1.25
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	261.15
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
92.90344238	0.27
96.91033936	0.09
101.1029434	0.25
120.8767548	0.19
123.127121	0.65
125.072876	0.20
145.1298676	0.21
147.1797943	0.26
153.1059418	0.21
160.9051208	0.15
162.9691315	0.26
164.0170746	0.19
175.1451263	0.10
185.1681519	0.35
187.0059357	0.27
189.2246857	0.18
213.0862732	0.29
215.0368195	0.64
216.8975677	0.59
220.9637299	0.11
223.0107117	0.39
223.921936	0.14
224.9684296	0.21
241.049118	0.19
243.1357574	100.00
243.9372406	1.41
245.204483	2.27
246.0494843	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	684.66
Annotation	Cer(m18:0/26:1(17Z))
Peak:m/z	Relative Intensity
291.1790161	0.13
320.8475952	0.12
322.8897400	0.16
364.7846069	0.11
386.9717407	0.36
402.9495239	0.15
403.8596802	0.26
411.4826050	0.15
432.4779053	0.56
438.1166992	0.09
438.9625244	0.28
440.1061401	0.10
440.8201904	0.15
443.0939331	0.18
447.7941284	0.28
448.8187866	2.01
457.7863159	0.14
462.9901733	0.23
464.3776855	0.24
481.1242676	1.60
482.2565308	0.19
496.5734253	0.10
504.0020142	0.42
508.5788574	0.15
514.4335327	0.17
516.1164551	0.50
516.7694702	7.58
518.7968750	0.28
521.2057495	0.13
522.2281494	0.71
528.9788208	0.08
530.9370728	0.61
532.4732056	7.13
533.1006470	0.10
543.7790527	0.60
548.2407227	0.36
548.8975830	0.67
572.3097534	0.27
598.6636353	0.53
600.5315552	100.00
601.2573853	0.29
615.9962769	1.30
616.6042480	4.73
637.8136597	1.62
642.7719727	0.21
661.0054932	0.23
668.1752319	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
95.03250122	0.56
121.933548	0.56
123.0405884	1.10
140.9386902	0.96
149.2191162	1.58
151.0406036	1.04
152.8590698	1.04
163.0368347	1.10
165.4137878	0.51
173.8779755	1.28
176.9917297	1.89
178.8519745	1.32
179.7726288	0.67
181.1463165	4.24
183.0832062	1.67
191.3798676	0.89
192.5300751	0.86
195.0444794	1.01
205.10289	0.27
206.2532806	0.61
207.1397095	15.26
208.1975861	5.40
208.9630585	4.48
214.8839417	8.68
222.0644989	2.44
223.2997284	4.45
233.0908051	7.49
251.068222	100.00
252.0680389	22.53
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	379.08
Annotation	Lisetinone
Peak:m/z	Relative Intensity
113.0650330	0.09
113.9905548	0.05
119.0132599	0.08
131.0320435	0.05
143.1261597	0.02
160.2091370	0.07
160.9968567	0.36
162.0261536	0.04
179.0161743	1.57
180.0847321	0.41
181.0351257	0.10
197.3465576	0.09
198.8910675	0.57
215.1139374	1.63
216.0418243	1.83
217.0279541	8.49
221.2385254	0.13
251.1833801	0.04
262.8369751	0.07
264.1355896	0.02
281.0800171	0.02
282.1455688	0.13
289.2758484	0.11
305.1486206	0.05
323.2458496	0.12
323.8943176	0.02
325.1854553	0.02
341.1698608	100.00
342.1590576	32.38
343.2175903	9.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	717.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
205.7939758	0.23
209.1764526	0.42
210.0408173	0.58
223.2286682	1.11
224.1428070	1.48
235.2639465	0.50
241.0309906	0.34
244.0565186	0.27
251.2182922	2.27
252.0697327	1.00
256.0110474	1.50
257.0195312	0.45
257.8027344	0.32
259.2050171	0.89
284.0497437	8.57
285.0089417	1.21
285.6386719	0.51
286.3767700	0.22
290.4869995	0.27
301.4147644	0.55
304.2441406	0.20
310.8582764	0.53
312.0077515	0.51
319.3983154	0.45
322.2890625	1.47
323.3093262	0.77
326.2733154	5.89
327.3084106	2.04
339.3718872	0.79
342.2824707	0.43
356.1000366	0.17
357.4309082	0.47
364.3026733	0.92
365.2950439	0.25
366.2258911	0.13
367.1566772	0.37
369.1479492	0.34
387.2839966	2.36
395.3759766	0.68
397.1704102	2.89
398.4108887	2.42
399.1002808	0.44
404.2217407	0.53
407.4426270	0.32
413.5155640	1.33
425.8703003	0.25
435.3017578	1.79
436.1266479	3.01
439.4494019	1.45
440.4472046	0.99
441.1089478	0.67
450.5485229	0.34
451.4132690	0.16
453.7226562	0.25
458.5621338	0.10
463.5926514	0.39
475.4500122	0.78
479.5575562	0.62
482.3421021	2.06
486.5108032	1.88
488.4137573	0.65
491.1906128	0.16
493.9058228	1.47
494.7931519	0.69
495.5037231	0.76
496.5343628	0.14
504.6405640	0.56
509.2634277	0.27
510.3776245	12.74
511.2626953	8.67
512.2774048	1.30
519.8518066	2.21
521.1434326	0.17
526.4439087	0.91
527.4708252	0.88
529.3107910	0.31
538.3682251	2.56
539.1649170	0.18
540.3222046	1.45
547.3965454	0.58
551.3279419	0.94
554.9078979	0.48
560.4999390	0.59
563.5829468	0.96
564.5487671	0.35
566.3369751	0.34
567.3729248	1.43
570.3838501	0.34
576.4522095	6.18
577.4036255	2.82
579.5310669	0.93
590.5676270	0.14
593.5256348	0.68
598.4368286	1.33
599.7864380	1.83
601.2978516	0.28
602.3611450	0.63
606.3357544	0.94
607.3890991	2.33
608.3822632	2.37
609.8319702	7.34
610.5332642	1.35
614.8843384	3.07
615.8131714	2.40
622.2008057	1.53
623.4195557	8.59
624.1076660	100.00
625.3624268	5.82
626.1870728	1.01
627.0250244	1.07
629.3358765	0.58
631.9594116	1.54
633.6340942	0.51
636.9530640	0.55
637.5816040	0.20
639.4844360	1.21
641.0234985	0.68
649.0590820	1.79
652.7655029	0.66
655.3649292	0.42
657.6295776	1.07
659.2457886	0.16
661.6245728	6.91
662.6818237	1.24
665.9438477	2.29
666.5831909	9.32
667.6303101	2.05
668.5894165	0.42
671.5930786	5.06
672.3613892	0.20
673.3526001	1.07
677.6548462	1.50
678.4367065	1.02
680.4218140	70.97
681.1390381	19.50
682.4318237	7.99
683.4085693	7.99
684.4019165	2.56
685.7721558	0.54
694.5028076	1.22
695.4108276	0.89
696.4829712	0.97
697.7999878	0.82
700.4745483	0.98
701.4351196	1.49
702.5443726	1.01
709.0266724	4.12
709.6882935	4.69
710.5044556	1.44
713.6455688	0.66
720.5406494	0.19
721.8159790	0.50
723.2250366	0.30
734.8558960	3.17
735.8536987	3.01
736.6680298	1.15
737.6416626	0.86
746.7210083	0.10
747.6569214	1.13
748.4569092	0.30
752.6741333	6.38
753.5123291	5.66
754.6469727	1.88
755.3672485	0.36
776.8910522	0.17
785.6914673	0.66
791.4718628	0.59
793.5020142	0.67
795.5604858	7.18
796.5346069	7.69
798.5001221	0.22
801.1077881	0.51
808.6621704	0.52
809.5152588	0.46
810.8552856	0.39
814.2797852	0.26
821.6566162	0.53
822.5045776	0.36
824.4618530	0.64
825.6414185	0.96
826.4313965	1.67
827.4552612	0.27
832.3594971	2.14
833.3245239	1.41
836.8107910	0.26
845.3347778	0.51
848.1185303	0.20
848.8659668	0.46
849.6125488	1.40
850.4849854	5.59
851.7797852	1.27
854.1849976	0.55
860.5876465	0.26
862.7838745	0.12
864.3692627	0.26
867.6088867	0.30
878.8774414	1.18
880.6065063	0.50
884.3792114	0.10
885.3722534	0.68
890.4814453	0.27
900.2709961	0.79
900.9629517	1.03
906.9077759	0.41
907.6372070	0.91
908.8822632	0.59
909.6067505	0.16
923.6604004	1.48
924.5770874	15.41
925.5242310	21.27
926.5172729	6.34
927.3532104	0.86
928.2138062	1.28
934.6560669	0.82
935.6337280	0.99
938.5344849	0.21
939.6442871	0.80
944.5580444	0.59
945.6088867	0.71
946.7023926	0.24
961.5656738	0.99
962.5083008	3.59
963.5922852	7.91
964.7046509	3.10
965.5041504	0.80
967.7746582	0.67
971.5779419	0.37
977.5446777	0.79
978.6746216	2.74
979.5289917	1.30
980.4544067	0.34
992.5549316	0.49
993.5678101	0.52
995.5116577	1.62
996.6001587	2.79
998.3176270	0.61
1003.0580440	0.52
1013.5476680	0.45
1020.8369140	0.49
1021.8705440	2.19
1023.3108520	0.16
1037.8947750	6.66
1038.6176760	10.01
1039.7315670	2.90
1040.6859130	0.61
1058.3605960	0.88
1064.6434330	0.20
1073.7243650	0.28
1074.6357420	1.02
1075.6604000	1.38
1076.8615720	6.99
1077.8282470	0.29
1081.7111820	0.74
1090.6042480	1.55
1091.6276860	4.28
1092.6679690	3.80
1093.7099610	1.64
1108.5759280	3.32
1109.6325680	11.40
1110.5621340	2.55
1111.4055180	1.80
1134.2899170	0.47
1134.9646000	0.58
1150.6748050	1.95
1151.8498540	11.37
1152.8842770	1.95
1153.7495120	0.25
1228.8150630	0.71
1246.2235110	0.66
1246.9090580	0.90
1247.9915770	0.14
1383.0072020	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	281.14
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
83.09786224	0.13
87.02850342	0.05
105.0396271	0.33
119.1249084	0.54
121.1663818	0.17
123.0118561	4.55
133.3005676	0.14
133.9857483	0.10
138.9064331	0.07
144.9987793	0.86
149.1426697	0.09
151.2845459	0.47
153.0670319	1.68
159.0444946	0.44
171.1227722	10.10
175.1832275	0.59
177.0401917	0.47
179.2016602	0.26
183.9493103	0.06
186.3765564	0.08
189.0534973	2.15
193.0175476	56.48
194.8642273	0.10
201.0316467	3.30
205.263092	0.25
207.1166687	7.35
214.9993591	0.07
219.1021118	9.18
222.0550232	0.07
235.0304871	1.09
237.1525269	100.00
238.1789856	0.14
244.9537354	0.17
246.0193481	0.17
253.4119263	0.24
261.0092773	0.22
263.114624	2.10
265.2146606	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2878
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
123.1110535	3.44
135.1603088	4.46
143.015686	3.32
157.0674133	1.84
163.8019714	6.79
166.9170227	1.99
169.0571289	12.76
174.8977356	3.61
187.1037903	3.30
209.0934753	4.04
217.1869354	6.76
224.9093933	1.84
234.2918091	8.37
235.0302124	2.57
239.3003235	1.56
240.9229431	4.76
252.107605	3.01
268.0748291	3.82
269.172821	1.85
281.2833862	14.19
282.8398438	10.50
297.0947876	1.41
305.0641174	4.11
306.9344788	2.56
309.1104126	3.00
311.4252625	6.58
328.1135254	6.41
331.5083923	3.45
332.1499939	5.19
337.4749146	3.57
339.3131714	20.05
351.3612671	5.34
356.5759277	13.14
357.2656555	10.43
362.3630371	1.55
365.1918945	22.54
366.2684631	38.25
367.2032166	6.49
368.0009155	1.84
369.4398499	4.74
372.8937683	3.63
376.3918762	19.56
377.3101501	6.55
379.1051636	2.12
380.3811646	22.86
381.2089233	2.56
382.3330994	4.66
385.2210999	2.42
391.1159973	4.88
394.442688	1.84
395.3815613	8.38
405.930603	5.33
407.2303162	25.87
408.2633972	100.00
409.1893005	17.17
414.0648804	5.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2869
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
175.0105896	18.70
227.1094818	20.06
257.200592	13.40
287.1307373	6.78
294.0562439	28.59
298.0266418	32.34
298.6897888	18.74
308.2884827	19.58
314.004303	6.56
321.2584839	4.51
340.4063416	22.79
348.448761	10.57
355.5770569	14.67
358.9240112	8.08
366.841095	6.01
390.2221069	20.56
407.5415344	48.88
408.2831421	100.00
408.996582	9.52
409.8767395	7.51
417.3875122	10.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1039.39
Annotation	Unknow
Peak:m/z	Relative Intensity
371.9814758	0.21
481.3670349	0.47
503.3882446	1.15
517.1019287	0.61
612.7825928	1.93
613.5321045	0.33
614.3619385	0.18
621.9416504	0.10
685.4973145	0.11
697.4411011	1.28
735.6177979	0.25
741.2062988	0.13
753.0378418	0.21
767.6861572	0.14
774.5556030	0.49
836.1099854	0.41
903.4271240	0.67
965.7656250	0.37
977.8847656	0.40
999.3229980	5.66
1000.3713380	0.51
1001.6433110	0.28
1004.8077390	3.70
1005.5665280	0.10
1013.8054200	0.94
1023.0920410	0.98
1109.3864750	0.89
1123.1043700	0.55
1128.5864260	0.20
1129.2709960	0.44
1138.0112300	2.11
1198.4915770	0.16
1205.5384520	5.32
1206.1628420	0.82
1206.8767090	0.66
1207.6783450	0.30
1210.9958500	0.44
1220.0642090	2.09
1222.6484380	0.75
1224.4733890	0.36
1242.5076900	1.12
1243.8305660	1.73
1248.6879880	4.25
1249.3713380	3.47
1334.9554440	0.15
1651.2425540	0.27
1665.0067140	0.14
1726.7756350	0.12
1739.7186280	0.15
1744.5780030	0.15
1765.2982180	0.25
1789.8179930	0.10
1816.9973140	0.53
1825.4415280	0.09
1832.4219970	10.00
1848.4207760	0.13
1857.0216060	0.57
1865.6008300	0.17
1883.1649170	3.43
1890.6818850	2.61
1891.6077880	0.56
1899.0802000	0.14
1913.2843020	1.01
1917.6695560	0.17
1921.5231930	0.72
1922.6422120	0.40
1929.6730960	0.25
1932.0084230	17.86
1938.5833740	0.47
1939.6346440	44.20
1940.8624270	7.97
1946.7149660	14.62
1949.5325930	0.14
1956.8746340	2.01
1960.0837400	0.71
1966.2637940	73.35
1971.4821780	0.36
1973.0643310	100.00
1976.7844240	25.72
1979.3719480	0.17
1980.6799320	1.18
1984.2790530	0.16
1986.8645020	4.42
1989.1448970	0.28
1996.3187260	1.31
1997.1530760	0.18
1999.1300050	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2501
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.971405	0.52
111.0887451	0.26
113.0119324	0.10
114.8245087	0.25
120.9910889	0.97
122.8680115	0.38
130.88974	0.42
132.7769928	0.11
134.9908447	1.43
137.022644	0.22
140.8536377	0.12
142.9827576	2.53
144.8427429	0.32
147.1914673	0.27
149.052887	0.72
153.0979919	0.12
154.6964111	0.19
156.8800964	0.90
158.9835205	0.49
160.8569031	0.33
163.190918	0.20
165.1975861	0.05
166.9091492	0.33
168.9719696	1.58
171.1585846	0.34
173.0714569	2.53
175.0684814	0.27
177.1100616	0.10
178.9063721	0.07
181.29776	0.21
183.0039215	0.57
185.0636292	0.53
187.0861664	3.97
189.2604065	0.54
190.8054199	0.13
193.1189728	0.61
195.1130676	0.07
197.231781	0.64
199.0672607	0.17
200.9476013	0.82
205.0994568	0.29
210.8384705	0.53
214.5333557	0.10
217.2364197	0.18
219.1454163	0.17
223.1257324	0.50
225.055603	0.45
229.0480347	0.09
233.2460022	0.45
239.333252	0.44
241.1195679	0.62
241.872467	0.28
243.2891235	0.21
245.2025452	0.74
247.1740723	2.49
249.1725769	0.10
253.3303528	0.12
258.9044189	0.26
259.5715942	0.11
262.6311035	0.10
263.4705811	0.37
265.3192444	0.61
267.0437317	0.06
269.4224243	0.16
272.2205505	0.21
273.1939697	0.50
277.2747192	0.24
281.2435303	0.37
285.5979309	0.17
287.2219238	0.20
294.0809326	0.28
295.2997437	0.59
297.3082581	0.33
299.3113403	2.46
299.9745178	0.32
305.2776794	4.02
309.300293	0.15
313.1288757	1.21
314.1807861	0.34
323.2375183	100.00
324.1881409	0.05
325.1190186	0.43
341.2549744	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	367.0966
Annotation	3-Indolylmethyldesulfoglucosinolate
Peak:m/z	Relative Intensity
119.0740891	0.62
175.1097717	0.29
186.8120117	0.75
189.9634094	0.42
193.1012268	0.30
194.9988403	16.89
198.9671326	0.46
205.0480957	100.00
211.2999115	1.33
218.1503601	0.69
229.0196228	0.41
247.0058289	2.01
252.8443909	0.67
261.8830872	1.16
277.2414551	1.84
278.1116333	0.26
279.1104431	1.18
305.3012695	1.36
306.109375	1.77
311.9393311	0.82
321.0915833	8.59
323.3764343	0.68
324.8419189	2.09
330.3399048	0.37
331.1398926	0.47
347.106781	3.10
348.2049866	3.86
349.2638245	6.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	786.1607
Annotation	Flavin adenine dinucleotide (FAD)
Peak:m/z	Relative Intensity
334.2885742	3.27
344.225647	3.28
348.0646973	100.00
361.3808594	1.81
421.3117676	2.40
438.9938965	49.21
460.1210327	3.13
466.4362183	7.21
540.1965332	6.29
583.3676147	4.09
588.2349243	1.71
694.069397	5.10
700.5476685	8.60
706.1751709	6.06
711.0526733	9.99
737.0499878	13.53
766.9341431	14.54
767.6123657	6.26
772.9713745	12.25
776.8196411	3.67
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	478.2936
Annotation	PC(15:1(9Z)/0:0)
Peak:m/z	Relative Intensity
140.1879730	0.06
153.0999451	0.05
180.8468933	0.02
196.0590515	1.96
207.1161194	0.03
214.1348877	1.16
226.0253601	0.04
231.8248138	0.02
281.2650452	100.00
281.8665466	0.68
299.0422974	0.03
309.2639465	0.05
317.8999634	0.01
321.0723877	0.01
337.1995239	0.01
383.2136536	0.02
411.1026306	0.04
417.1769714	0.40
434.1938782	0.04
435.7159424	0.01
442.2574768	0.11
449.2848511	0.03
459.0855103	0.10
459.9299316	0.06
461.4706116	0.06
462.7397766	0.03
477.0460510	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	861.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
276.1819153	0.15
352.5584106	0.24
371.7359619	0.14
384.1475830	0.48
423.0684204	0.07
459.2249146	0.27
459.9191895	0.84
468.3146362	0.11
481.1542969	0.37
493.6450806	0.14
497.0443726	0.18
512.3394775	0.16
517.5322876	1.31
524.1915283	0.38
527.3070068	0.14
529.2782593	0.18
531.2853394	0.59
532.5705566	0.23
533.2747192	0.43
534.9395752	0.32
550.3823853	0.72
556.6945190	0.17
564.9046021	0.07
565.8193970	0.13
566.5782471	1.39
568.1890869	0.11
588.8624268	0.16
600.9651489	0.98
612.0621948	0.58
621.6494751	0.42
630.2815552	0.61
631.4977417	0.31
646.5552979	0.19
656.6617432	1.48
657.2998657	0.53
663.5324097	0.48
664.6198120	0.11
671.7352905	0.19
678.3751831	1.00
693.4014893	0.09
696.6661987	0.52
700.7062378	0.47
703.5509644	1.53
705.7015991	0.28
716.0505981	0.21
725.7827148	1.18
726.5074463	0.20
745.2500610	0.15
747.9216309	0.71
749.0810547	0.91
753.3270264	0.84
759.3999634	1.67
760.2581177	0.58
761.0978394	0.23
761.8547974	0.42
779.3208008	3.64
780.1267700	0.99
781.0718384	0.11
784.2966919	0.96
785.1463623	0.87
786.1932983	3.29
791.8722534	0.93
794.3889160	0.42
795.2327271	1.48
800.3224487	0.89
803.3032837	0.70
804.5316772	2.45
805.6898193	0.41
806.7296753	0.83
807.9674683	0.25
809.4481201	0.20
813.6121826	1.04
817.6956177	0.09
818.9021606	0.19
819.5151978	0.13
820.1235962	0.13
822.2654419	0.59
823.9158325	0.43
826.0368652	0.07
828.5772095	1.33
830.6831665	0.16
834.5901489	2.01
836.7619019	0.49
842.3501587	0.80
843.4875488	0.41
844.9729614	0.49
845.5775146	0.11
847.6198120	0.33
849.5045776	0.58
851.3865967	1.06
852.5362549	0.83
875.3452759	0.33
875.9867554	0.69
901.2407837	0.57
902.8912964	0.13
905.8651733	0.57
906.6294556	0.22
908.8906860	0.63
911.4340820	0.17
917.5957642	0.26
928.6223145	0.31
932.3049316	0.10
935.2514648	0.88
936.5583496	0.17
937.5315552	0.57
938.5129395	0.12
939.5482788	1.14
941.1826782	0.46
941.9621582	0.18
943.7152710	0.96
946.3599243	2.40
947.3720703	0.75
948.5319214	1.81
954.9980469	0.35
956.7141724	0.14
958.0925293	0.61
975.5188599	0.21
979.5305786	0.26
983.0963745	0.23
984.5759888	3.39
988.9999390	0.27
990.9431763	0.71
996.0121460	0.67
997.7092285	0.19
999.6318359	0.14
1002.0001830	0.83
1003.9738160	0.11
1008.0974120	0.83
1010.3136600	1.43
1015.9389650	3.04
1016.5476680	2.52
1017.3738400	2.14
1019.6601560	0.27
1020.2621460	0.63
1024.8167720	3.38
1032.6842040	0.08
1033.8603520	4.25
1035.0240480	0.21
1037.1378170	0.18
1040.1337890	0.51
1044.2949220	0.65
1047.2969970	1.16
1048.5405270	0.41
1053.4132080	0.81
1054.2763670	0.89
1056.8674320	0.13
1059.0507810	2.82
1059.9702150	3.21
1060.6950680	0.22
1066.0173340	0.18
1066.6418460	0.32
1082.6140140	0.19
1086.6215820	0.36
1087.9570310	0.33
1095.2084960	0.69
1106.5731200	0.11
1112.1733400	0.37
1124.7745360	0.27
1129.1437990	0.37
1129.8105470	1.13
1130.8286130	1.83
1131.9111330	2.59
1133.4775390	0.40
1138.6374510	0.84
1139.7784420	0.29
1143.9199220	0.93
1144.7121580	0.49
1148.9758300	1.15
1157.5507810	0.20
1160.5959470	0.52
1174.5009770	0.78
1186.9106450	1.12
1193.5294190	0.36
1194.5925290	0.86
1201.1186520	0.70
1202.5295410	0.16
1227.6176760	0.48
1242.0451660	0.33
1244.2143550	0.80
1246.2255860	0.38
1246.9133300	0.42
1250.4891360	0.29
1263.8532710	0.41
1313.6262210	0.72
1323.6429440	0.13
1324.4581300	0.09
1328.9256590	0.26
1331.8007810	0.21
1341.0345460	0.62
1343.7200930	0.28
1348.2884520	0.21
1356.6822510	0.15
1363.0349120	0.32
1365.8529050	0.61
1370.8802490	0.16
1372.1199950	0.12
1389.7940670	0.26
1396.1162110	0.21
1417.4251710	0.36
1425.0722660	0.23
1428.9964600	0.12
1456.7047120	0.44
1469.0566410	0.18
1493.8406980	0.14
1496.1063230	0.23
1512.5882570	0.36
1517.6601560	0.23
1563.6302490	0.25
1629.8157960	0.09
1664.7615970	0.23
1666.8729250	0.22
1705.5749510	0.13
1735.5196530	0.48
1740.2562260	0.69
1743.1461180	0.08
1744.8826900	3.36
1746.7390140	0.18
1749.3238530	0.55
1758.7789310	0.11
1791.8736570	0.09
1793.1068120	0.24
1811.0202640	0.18
1821.9119870	0.13
1831.5950930	0.07
1836.1936040	0.26
1847.9952390	3.26
1849.3186040	1.91
1856.8189700	0.72
1861.2764890	0.85
1887.2136230	0.09
1890.1668700	0.70
1898.7635500	0.73
1900.2912600	0.93
1901.6892090	0.10
1907.5305180	0.63
1913.2838130	0.32
1915.6246340	1.11
1920.2532960	0.35
1927.2736820	0.29
1931.6424560	0.13
1933.6680910	1.35
1935.0975340	3.76
1936.1013180	0.12
1942.6960450	1.05
1943.9289550	0.12
1947.0314940	0.60
1954.1925050	0.32
1955.4678960	0.69
1956.6624760	1.68
1957.3873290	0.32
1958.7618410	3.75
1960.1340330	10.96
1961.6354980	46.02
1964.8077390	1.25
1966.9763180	1.48
1969.3358150	0.38
1971.3228760	2.83
1975.3604740	0.32
1976.5977780	0.16
1979.8465580	0.08
1982.4742430	0.13
1984.8507080	2.70
1988.8770750	1.91
1989.7067870	3.94
1990.5142820	1.55
1991.7839360	100.00
1992.7858890	0.96
1994.3118900	0.54
1998.8707280	0.06
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
114.9249496	4.84
116.0147934	1.18
130.9159241	0.21
132.1333618	0.10
156.9223633	0.03
158.9254456	100.00
159.9144897	29.64
199.0007019	1.60
200.0190125	1.11
201.0113525	0.03
202.0812683	0.03
216.9719238	0.50
218.0229492	0.34
228.8936157	17.82
229.8990173	15.10
230.5067139	0.01
245.0435791	0.26
246.0798950	0.23
248.1541748	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	524.26
Annotation	Calcimycin
Peak:m/z	Relative Intensity
258.111145	0.28
274.8151245	0.56
276.1738892	1.61
286.3799438	0.74
311.1956787	0.72
313.3314819	0.81
327.0585327	1.14
332.121521	0.64
344.2475586	0.77
351.4790039	0.51
383.4033813	5.53
413.5882568	0.20
426.3950806	1.85
438.2555542	1.30
443.9661865	0.90
450.8451538	2.13
451.9885254	1.98
465.0411987	0.98
470.3746338	0.63
471.1608276	2.02
474.3025513	0.77
476.1524048	0.37
477.8659668	1.06
479.0858154	1.11
483.0479126	3.85
486.026062	0.34
488.4093628	0.61
493.6891479	0.97
497.4013062	1.44
500.734375	1.02
506.2651978	100.00
506.9389648	1.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	474.26
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
139.9040222	0.08
152.8261719	0.19
162.9998169	0.03
179.2255859	0.18
193.1212769	0.02
196.0505371	1.51
205.0825958	0.04
213.9968567	1.25
219.3923035	0.02
233.2119446	0.53
259.2645264	0.14
261.1660156	0.06
275.1775513	0.67
277.2098083	100.00
277.8470154	0.15
289.8897095	0.03
303.8834229	0.03
319.2098999	0.04
345.4455872	0.02
378.2267761	0.05
382.1227112	0.03
399.3857422	0.04
412.2466736	0.05
413.3043823	0.45
414.9090881	0.02
430.3038940	0.11
435.3942261	0.13
436.3150330	0.02
437.1879272	0.02
449.8413086	0.13
456.7737122	0.11
458.3687134	0.05
460.6075134	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	643.1719
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
215.0830688	0.05
217.0590668	1.29
259.3488159	0.18
293.9898071	0.36
303.0891724	13.79
309.9859009	0.03
321.1133423	7.80
363.1437988	0.05
381.2741699	0.73
395.1369629	0.26
418.8999023	0.08
423.2781372	0.15
433.0926514	0.37
437.2066650	3.48
445.1159668	0.04
451.3697510	0.12
461.1774292	0.03
462.0472412	0.04
467.1853027	0.51
477.4091797	0.14
479.1480103	25.02
479.7728271	0.16
485.0555420	0.39
495.3229370	0.49
497.2554321	12.04
509.3743896	0.17
510.0811768	0.06
514.4274902	0.12
536.3495483	0.05
539.2823486	34.26
543.4848022	0.08
545.3851929	0.10
546.2522583	0.08
553.2929077	0.05
569.0825806	0.26
579.2839966	0.04
580.1815796	0.20
580.9692383	0.38
582.6884766	0.04
597.5068970	0.06
598.8496704	0.05
607.3182983	0.12
622.8292236	0.04
625.2474976	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	600.78
Annotation	Unknow
Peak:m/z	Relative Intensity
264.2554626	0.66
265.0067749	2.06
270.7987671	0.55
280.8644409	2.93
285.3707886	0.63
348.8386841	15.27
354.9252930	0.33
364.7287598	10.31
392.5927734	1.62
432.0125122	5.06
432.6276245	47.25
434.9662476	4.15
438.5028687	1.66
448.4758301	10.85
452.7967529	3.67
464.7677612	7.03
480.3457642	0.92
481.0029297	0.50
494.1149902	1.75
494.7310791	2.86
506.7768555	1.30
516.4850464	100.00
517.3665771	3.32
518.9851685	0.44
524.3071899	3.04
532.3793335	1.80
536.5582275	3.54
540.7802124	2.90
554.5814209	6.16
555.2810669	22.76
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	332.56
Annotation	Unknow
Peak:m/z	Relative Intensity
86.5059662	0.12
105.9340973	0.07
122.9088135	22.40
123.5239258	0.13
135.9473267	1.48
149.9154205	0.08
151.9517517	0.21
167.7936707	0.42
169.0574646	0.43
169.8050537	0.50
198.2666931	0.06
212.9072266	0.19
219.0830383	0.22
220.1911926	0.16
232.1309814	1.49
242.9320679	0.19
254.2855225	0.07
255.1307983	0.12
256.7709351	0.07
272.0568542	0.05
273.0451355	0.39
286.8986511	0.18
313.9623413	1.14
314.9537354	0.29
318.4145508	0.10
331.7537231	0.08
348.0035095	0.39
370.9107971	0.31
428.1436462	0.26
511.1081848	0.07
524.0717163	41.63
525.0833130	0.51
528.9286499	0.09
542.0610962	100.00
542.8587036	1.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.287
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
147.0050659	1.91
171.0604553	4.09
172.7453003	3.16
177.3279419	2.57
203.039032	12.06
207.3211975	8.02
211.2541199	3.79
212.9714661	5.96
239.1824036	9.99
240.8459473	5.12
265.4206848	5.77
271.0330811	2.34
279.3218994	4.75
281.1948242	8.05
304.415802	4.09
306.0929565	3.01
307.2446899	4.53
352.2573853	3.01
354.1973877	1.91
365.6318054	11.34
367.1851501	2.06
373.0867615	2.78
377.6138916	7.30
379.2346497	9.35
380.0375671	8.59
381.3283997	12.55
384.7638855	10.78
390.2779236	4.89
395.7301941	4.71
408.2813721	100.00
409.1028442	13.57
416.9578552	5.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	344.1155
Annotation	Niazinin A
Peak:m/z	Relative Intensity
102.9699554	0.16
104.9556351	2.20
130.0719604	1.19
130.9617310	0.05
145.0044098	0.09
148.9760590	0.60
164.0048828	0.44
181.9783020	100.00
195.2894287	0.10
224.0587463	0.08
307.9576416	0.06
311.1370239	0.06
326.2201843	0.08
327.2077637	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	716.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
272.1596069	0.10
319.8709106	0.09
345.1613159	0.14
482.1225586	0.03
496.5510864	0.09
506.0473022	0.26
510.1364746	0.36
523.1796875	0.11
524.0140381	0.23
552.2793579	0.07
553.2808228	0.21
576.2340698	0.04
618.2469482	0.06
630.5528564	0.66
637.6430054	0.05
643.3107910	0.07
653.5094604	0.33
658.2609863	0.11
672.3433838	100.00
673.0199585	0.43
686.0543823	0.11
691.2218628	0.13
693.8067017	0.20
695.4971313	0.05
696.5473022	0.06
698.2209473	0.26
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
272.9367065	1.70
274.2381592	0.12
358.7044067	0.10
384.2933350	0.08
387.1315918	0.11
427.0622559	5.79
429.0691528	0.35
431.2144165	0.08
443.0720825	0.04
445.0823975	0.06
448.9848022	0.12
455.2200317	0.27
461.7219238	0.06
470.5236206	0.29
472.4158936	0.65
473.0560913	3.17
478.7436523	0.08
481.9963989	0.04
484.8681030	0.15
486.1384277	0.18
495.1076660	0.03
496.1232300	0.11
496.8692017	0.18
512.0020752	0.22
513.0195312	0.30
514.0601196	0.05
519.1342163	0.18
527.7008057	0.05
529.2091675	0.11
530.0355835	0.14
540.8516846	100.00
541.9450073	0.37
543.0321045	0.54
544.7719727	0.09
545.9062500	0.08
556.6636963	0.18
558.9069824	0.26
560.1188354	0.06
569.0104980	0.25
576.0388184	0.12
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
97.26147461	1.97
109.0507812	8.93
114.3869781	1.51
130.9690552	1.51
133.1200104	1.59
139.0772705	3.68
152.8340454	1.33
163.1129456	1.70
168.9962158	1.88
170.9244385	1.33
173.3768616	4.60
181.297821	2.78
183.0002136	1.33
185.2000122	1.15
191.4476013	3.80
197.3486023	2.09
198.9673157	5.35
201.0678711	4.61
207.4290466	9.73
211.0739746	3.16
213.1828613	2.43
216.8559265	1.33
221.3042297	3.34
225.1982422	3.59
229.0543823	2.68
233.1644287	11.02
237.4221191	9.99
239.0690613	9.48
243.1115112	1.05
251.3175049	6.98
252.0682373	3.43
255.0858459	3.35
256.2579041	4.28
262.3877563	1.71
279.2386475	100.00
281.2752686	3.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	261.15
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
101.0254517	0.32
108.7114868	0.12
134.9135895	0.14
160.8258209	0.22
165.230423	0.13
172.8956146	0.27
181.2542114	0.12
192.9941254	0.15
199.2082367	0.66
202.6407013	0.21
203.2789459	0.11
214.6572876	0.59
215.2974854	0.14
217.137146	0.56
218.1507111	0.17
219.7393341	0.11
222.966629	0.17
224.9764252	0.38
227.1392365	0.29
228.9128876	0.14
231.0027313	0.36
233.2996674	0.09
240.9145355	0.07
243.1385651	100.00
243.8553009	1.48
245.0909424	3.03
245.9560089	0.11
249.1636353	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	606.74
Annotation	Unknow
Peak:m/z	Relative Intensity
174.9101562	0.05
177.0113220	0.23
210.9980164	0.37
212.0458832	0.04
212.9974365	0.04
214.2112579	0.06
216.8974609	0.25
222.2931671	0.09
225.2631073	0.17
240.1670532	0.38
246.0198975	0.20
257.2627563	0.05
261.0805969	0.61
262.2383118	0.05
262.8728027	0.05
263.9783630	0.21
265.2293701	0.30
271.1275940	0.18
272.9445496	4.98
274.0090942	0.54
280.2188416	0.15
282.0918274	11.26
283.1505127	0.52
291.0265503	0.19
300.1942749	1.76
301.0548706	0.29
305.1169434	1.31
306.1137085	0.57
317.9251709	0.08
323.1074524	7.86
324.1595459	1.58
325.1197510	0.45
326.1965332	0.32
327.3832397	0.10
331.1258545	0.18
331.9356689	0.19
332.8017578	0.03
334.3301392	0.17
335.0592041	0.11
344.0167847	0.62
354.6522827	1.03
362.1328735	6.72
363.1132812	0.60
370.8066406	0.64
372.6133423	0.07
379.1577148	0.05
379.8757324	0.03
380.9996948	0.23
385.0394897	29.32
386.1251221	2.69
388.7850342	0.04
391.1102905	0.19
403.1546021	20.63
404.1683960	1.61
411.2486572	0.03
421.2096558	0.12
422.0352783	0.24
426.1506348	0.05
430.8146362	0.11
432.7834473	1.36
437.0101929	0.03
438.7891846	16.40
441.0974121	0.12
442.9514160	0.62
444.0794067	0.39
445.0176392	0.08
448.3175049	0.05
450.7919312	0.42
452.0997314	0.05
454.7987061	3.98
466.8515625	0.03
468.6783447	1.31
469.3280640	0.07
470.7923584	2.13
472.1812744	0.23
473.2676392	0.03
477.4378662	0.04
484.1469116	0.05
485.2036743	0.53
486.1150513	0.36
490.2828369	0.05
491.2434082	0.19
494.1303101	0.52
495.2969360	0.11
508.3280640	2.28
509.1372681	0.13
516.8758545	0.12
519.8615112	1.49
520.7484741	1.92
522.6643677	100.00
523.5419312	0.05
526.3743286	0.03
528.0719604	0.04
538.0077515	0.18
538.6566772	3.15
559.7257690	0.75
563.0894775	3.31
564.0202026	0.59
584.9187012	0.05
588.1391602	0.75
589.1117554	0.65
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.0797119	0.48
109.0174942	1.69
119.123642	0.48
121.1937027	2.16
123.3780289	0.65
134.9913025	0.97
143.1240082	2.14
146.9152527	1.77
148.4666748	0.33
150.9762268	0.23
156.9464417	1.51
159.2590332	0.25
161.0159912	2.69
163.0436707	1.55
164.9901733	1.02
170.807785	1.45
172.8476257	4.53
174.8635864	0.96
177.0023499	0.91
182.9071045	0.62
186.8880005	1.51
188.9185181	0.81
190.9346924	0.86
195.371582	0.27
197.2096252	0.85
205.2460938	1.98
207.0505219	0.25
217.259491	0.18
222.9771729	0.74
227.3526306	0.45
231.0206909	0.41
232.805481	0.41
235.0250854	0.23
238.1335449	0.59
240.8634949	0.32
243.2516785	0.55
245.387207	3.65
247.0912781	1.25
249.0396423	0.32
255.3200073	0.32
259.0793152	2.37
260.9996338	0.36
269.1567383	0.53
271.4719849	0.37
272.9880981	0.34
277.1513062	0.74
278.1376038	0.34
281.1268311	0.72
282.9692688	0.82
287.1793823	0.73
291.8410034	1.82
295.0507507	1.55
296.1394043	0.87
297.5682983	0.62
299.0853882	0.82
300.0715332	1.15
305.2080383	6.74
313.502533	0.25
323.2403564	100.00
324.1178589	0.60
331.7064209	0.20
337.2008972	0.25
340.7788391	0.55
341.4367065	2.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	409.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
129.0297546	1.96
130.0885010	0.15
132.9722443	0.06
140.9713898	0.76
159.0758362	0.43
160.2516937	0.03
166.0038757	0.04
167.1307678	0.12
177.0012207	0.14
183.3432159	0.05
184.4809723	0.11
185.1303711	0.22
187.1365662	0.16
201.8789062	0.04
203.0339050	3.64
205.0385284	0.89
221.0026245	0.45
228.0712738	0.40
229.1055908	1.05
231.2639771	0.06
239.2161865	0.05
245.2937622	0.10
257.0395508	0.76
265.9453125	0.08
273.0145874	0.22
274.2521362	1.17
275.1827393	8.03
282.0925903	0.05
299.2796936	0.12
301.2277527	0.03
304.1481628	4.68
305.1903076	33.86
307.1136780	0.10
311.1671143	0.02
316.2798462	0.50
317.0898438	1.61
318.2453918	1.82
319.2474365	9.94
321.1888123	0.03
323.1599731	0.16
324.1843567	0.12
328.0831909	0.47
329.2122803	4.65
336.8941040	0.03
343.3864746	0.04
346.2181091	17.43
347.1464539	100.00
348.0073547	0.18
349.0856323	0.11
363.0913696	0.04
364.2580872	0.06
365.1285095	0.08
373.1973572	0.16
378.5410461	0.08
390.1948547	5.62
391.1491699	31.30
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	565.1182
Annotation	Petunidin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
183.0607300	0.08
269.3850098	0.06
271.4535522	0.12
279.2009888	0.20
285.3177795	0.11
287.3189087	0.44
298.8902588	0.19
302.3132935	0.18
317.1527100	100.00
334.1088867	0.15
345.2786865	0.05
359.1314697	1.38
383.2479248	0.22
395.4219360	0.15
406.9861450	0.12
435.5155029	0.05
456.7929688	0.45
461.5234375	0.18
467.4634399	0.09
475.4279175	0.11
479.0070190	0.50
483.9690552	0.61
485.4905396	0.35
491.6958618	0.30
503.3140869	0.24
514.9780884	0.25
519.1712036	0.13
520.5848999	0.79
528.2649536	0.25
529.2249756	0.84
532.7689819	0.20
536.5065308	0.07
543.8980713	0.23
546.6428833	0.66
547.2644653	3.30
548.4689331	1.08
550.2042847	0.08
567.9836426	0.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	678.8
Annotation	Unknow
Peak:m/z	Relative Intensity
274.8223267	0.96
290.7039490	1.97
342.7887268	0.77
358.7351685	4.15
362.2753906	0.62
374.7792969	1.34
380.1008911	0.47
382.9560547	0.34
418.3601685	1.15
426.6674805	8.65
442.0212402	3.09
442.6588135	14.09
446.9254761	0.76
450.6891479	0.23
458.4891968	0.56
469.8081665	0.65
470.7147827	0.86
488.8933716	0.61
498.0688477	0.44
499.2429810	0.39
502.7901611	0.42
510.6660156	46.19
512.7589722	10.65
515.9111328	0.20
516.5267944	0.88
526.5136108	100.00
527.2629395	0.40
530.7716064	0.33
542.5137939	10.75
543.2372437	0.17
544.4938354	0.93
548.7151489	1.01
557.3434448	0.09
558.6180420	0.17
572.6124878	78.28
573.3193359	1.32
580.1708374	0.19
592.0076294	0.56
594.0948486	13.72
594.8322144	83.75
606.7937622	0.24
610.2526245	3.71
610.9266357	0.07
614.2324829	0.98
614.8959961	1.49
618.5977783	1.08
631.9589233	2.06
632.7113647	14.97
659.9548950	0.69
660.9018555	0.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	223.06
Annotation	Sinapic acid
Peak:m/z	Relative Intensity
123.1905975	0.10
134.2443695	0.04
134.9701538	0.26
138.9542999	0.14
148.9224701	0.29
151.0769196	1.29
161.2398071	0.71
164.0128632	18.57
164.9827423	0.11
167.1191254	0.17
172.3475342	0.04
177.0935059	0.65
179.0115509	39.12
180.0653839	0.07
181.2060394	0.42
184.7623291	0.26
186.7705231	0.35
192.9566956	0.10
195.0964203	0.44
196.1885834	0.08
202.9471588	0.76
204.8766327	1.25
205.9111786	0.92
208.0316925	100.00
223.9789276	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	538.75
Annotation	Unknow
Peak:m/z	Relative Intensity
208.8769989	0.06
222.9660645	0.07
241.0793610	0.05
276.9995728	0.06
280.7014160	0.04
282.9694214	0.04
286.8359680	0.68
303.1765747	0.09
314.9521484	0.21
325.7636719	0.16
326.3789062	0.05
359.1066895	0.27
360.8234863	0.04
362.4221802	0.25
364.1884766	0.16
368.9061890	0.05
370.7898560	7.56
376.9273071	0.31
386.9188232	0.16
402.2274780	0.22
426.0582275	0.09
450.6450806	0.04
452.7775879	0.37
454.6661377	100.00
455.5363770	0.09
470.6252441	0.68
478.8998413	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	458.77
Annotation	Unknow
Peak:m/z	Relative Intensity
206.8499146	9.53
279.1804810	0.04
290.7279968	100.00
291.3984985	0.29
296.7356567	0.22
306.9850159	0.09
323.0497742	0.81
334.9577637	0.25
338.5802917	0.40
366.9033508	0.23
369.0445251	0.18
372.9722900	0.10
374.6418457	33.14
390.6440735	0.05
394.9552917	0.05
398.7905579	2.80
412.8926697	0.41
429.1128540	0.14
441.2729187	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	358.83
Annotation	Unknow
Peak:m/z	Relative Intensity
142.0433807	0.48
143.1466675	0.20
170.0482178	0.34
171.0769653	0.71
191.0895844	0.18
196.9153442	0.19
206.7485199	2.04
214.9616394	0.25
216.2153625	0.17
227.5374756	0.22
229.2552490	0.78
230.2014771	5.41
231.3333435	0.13
239.1059570	0.22
244.3014221	0.49
258.1311035	0.23
259.1553345	0.16
269.0502930	0.51
274.7679443	100.00
275.4268799	0.14
290.8300171	19.41
298.2092285	0.45
299.2742310	1.28
300.2477417	0.49
340.2667236	0.64
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	563.0765
Annotation	Daphnodorin A
Peak:m/z	Relative Intensity
158.1664124	0.57
159.1820374	0.09
170.0973816	0.33
172.0229797	0.32
173.9440002	0.12
175.2970581	0.11
176.9072876	0.14
179.9908447	0.75
181.9139404	0.80
188.2034607	0.67
195.0713196	1.89
196.1580200	0.38
199.9942780	1.35
201.1375427	0.19
202.0881653	13.40
208.9139862	0.07
210.1201782	0.31
218.0610809	3.79
219.0221863	0.76
220.0249634	0.12
220.9338379	0.32
222.0391846	1.28
239.9018707	10.86
241.2079468	1.78
244.0730286	0.47
259.2622070	0.15
262.0095825	100.00
265.3034668	0.17
269.2764587	0.24
269.9216919	0.48
281.1198425	0.09
282.1137085	0.19
292.9585571	0.18
297.9078369	0.09
298.9763489	0.90
299.9703369	6.07
321.0513306	22.27
321.6783447	0.11
323.1768799	0.63
325.0562744	0.52
337.2240601	0.10
338.9370728	0.31
341.3931274	0.10
355.4381104	0.86
369.1116943	1.57
379.2927246	0.35
383.0726318	1.91
385.0684204	0.20
397.8361816	0.13
399.1859741	4.06
401.2465820	0.26
407.3527832	0.20
411.1026001	0.10
411.8788452	0.12
413.0541382	0.26
420.0950928	0.12
425.3523560	0.23
429.1951294	1.21
430.0338135	0.59
438.7670898	0.44
439.8778076	0.26
441.1367798	0.29
443.0501709	10.59
449.4103394	0.27
459.1163330	6.23
467.1825562	0.08
473.0983276	1.11
475.3601685	0.17
484.6100464	0.39
485.2789917	0.48
501.1650391	0.09
503.1080322	49.02
520.1030273	0.42
526.3757935	0.23
533.1749878	0.07
543.9348145	0.09
545.1917114	2.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
80.6893158	0.78
83.04025269	1.06
98.66053772	0.23
104.8509064	0.42
131.0523529	0.34
145.9601288	0.32
148.9625397	0.45
150.8466492	0.59
153.2353058	0.27
160.9117279	0.29
165.3396606	0.74
168.9222565	0.52
177.1267853	0.45
177.7412109	0.49
181.0619659	0.91
183.171524	0.81
189.2457275	0.84
192.1866913	0.42
192.9626923	0.84
193.7848663	0.53
195.2346954	1.33
206.1263885	2.32
207.0579681	7.71
208.2398834	10.82
209.2298737	3.05
210.2073212	0.42
214.8734589	3.72
222.1123962	5.02
223.0242157	17.09
223.967514	1.10
233.1605377	0.58
237.2335663	0.38
251.0708618	100.00
252.1393433	17.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	279.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
147.2557678	0.21
148.8901367	0.19
166.9167023	0.09
180.9398193	0.25
197.9474487	0.12
204.8158569	0.98
213.2238770	0.11
218.6902161	0.45
225.0530701	1.26
235.0563049	0.26
236.2881165	0.28
243.1124878	1.95
244.0061646	0.39
251.1443481	0.12
260.9150696	100.00
261.8870239	0.36
270.0582886	0.24
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	434.0617
Annotation	5-Methylthiopentylglucosinolate
Peak:m/z	Relative Intensity
139.0086212	6.33
145.1568604	1.66
163.1338806	2.49
167.0753632	0.78
191.9947662	14.68
195.0063019	7.29
199.1107025	1.51
209.1378784	1.34
211.0840759	3.23
224.2254791	0.94
227.0405273	8.99
234.4505310	0.41
238.0378418	3.39
241.0797729	11.06
255.9731445	9.34
259.0842590	100.00
260.1432495	0.80
274.9510193	41.92
291.0536194	6.29
343.5337524	0.42
354.2290344	11.66
357.0997925	14.15
357.9740601	0.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	380.84
Annotation	Unknow
Peak:m/z	Relative Intensity
128.9345093	7.42
189.1265259	0.04
212.7558441	4.79
217.1582794	0.07
218.8690186	0.14
236.9001465	0.18
258.8616943	0.34
260.8371887	0.66
261.4462280	0.06
265.0140381	0.33
268.1007690	0.18
270.2668762	0.56
271.3088989	0.72
296.7664795	100.00
307.0112305	0.32
309.0257568	0.08
313.0329590	0.09
321.0992432	0.18
332.4202271	0.15
335.1892700	0.24
344.5830688	0.07
350.2183838	0.53
360.8903503	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	1040.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
352.2355957	0.09
398.4356384	0.07
426.0247498	0.16
446.4179077	0.09
450.1737976	0.04
581.5511475	0.08
583.5859375	0.04
601.9721069	0.07
631.5504761	0.06
709.3995361	0.07
710.5456543	0.09
716.3604126	0.07
720.5855713	0.06
722.1013184	0.14
722.7237549	0.05
740.5794678	0.06
753.9313965	0.15
758.3975830	0.27
792.0474854	0.06
799.1672363	0.18
809.5063477	0.20
814.2838135	0.13
841.1815186	0.09
844.4471436	0.26
848.8963623	0.18
851.3072510	0.06
864.1612549	0.18
866.8087158	0.46
867.5787354	0.06
875.5534668	0.19
876.7899170	0.19
881.6129150	0.29
887.5544434	0.09
895.8062744	0.55
897.0622559	0.07
900.9461670	0.28
902.2991943	0.48
904.2145996	0.07
908.5771484	0.54
909.1950684	0.06
911.1005859	0.19
914.8850098	0.27
915.4978027	0.04
916.6608887	0.06
918.9422607	2.59
919.9038086	0.29
927.3493652	0.11
928.2175293	0.27
929.8073730	0.24
933.6368408	6.59
934.4412842	0.19
935.6929932	0.35
937.1188965	0.06
939.4079590	0.30
943.2751465	0.08
944.0139160	0.47
944.8308105	0.13
948.2014160	8.05
949.1124268	0.54
950.0349121	2.81
950.6533203	1.79
953.9969482	1.52
955.0904541	0.52
955.7530518	0.37
956.4830322	0.18
957.5639648	0.11
958.9045410	0.43
959.9384766	0.19
968.0927734	1.28
970.7166748	0.32
971.5582275	0.13
973.4587402	0.16
976.7572021	2.20
978.5280762	0.58
983.0117188	9.50
984.9228516	0.89
985.6721191	0.75
991.0781250	4.93
991.7036133	0.34
992.4614258	0.23
997.3016357	0.61
999.6253662	1.22
1000.7353520	0.79
1005.6960450	3.10
1006.9555660	0.12
1008.0852050	1.29
1008.9689940	0.06
1010.0825200	1.12
1011.5841060	0.29
1012.9011230	0.07
1014.2829590	11.56
1014.9056400	1.11
1015.9003910	0.27
1017.2832030	0.19
1018.8884280	0.32
1020.1745610	37.68
1020.9543460	0.57
1022.4010010	2.55
1023.0977780	4.19
1024.8120120	1.70
1026.1335450	3.81
1027.4936520	0.13
1028.7863770	7.15
1029.6013180	1.94
1034.3020020	0.31
1044.0476070	0.05
1052.0695800	0.03
1059.8447270	0.21
1064.7689210	0.87
1065.9079590	0.16
1126.7687990	0.19
1138.3795170	0.67
1140.7496340	0.10
1160.1268310	0.15
1168.2589110	0.10
1172.6391600	0.40
1173.6567380	0.06
1176.7524410	0.11
1182.1315920	0.49
1185.3453370	0.07
1190.4387210	0.28
1195.6833500	0.34
1204.2785640	0.07
1229.4350590	0.08
1247.5411380	0.58
1248.6718750	0.59
1249.5792240	0.08
1251.7607420	0.14
1252.3969730	0.37
1253.2811280	0.32
1274.2985840	0.10
1288.2946780	0.08
1295.5444340	0.14
1305.8278810	0.04
1316.8310550	0.32
1344.9519040	0.34
1349.3619380	0.13
1353.6180420	0.12
1363.7803960	0.21
1366.6922610	0.26
1367.9002690	0.25
1369.4737550	0.15
1380.0981450	0.11
1381.1761470	0.05
1386.3529050	0.29
1391.5793460	0.31
1400.1584470	0.77
1401.0511470	0.32
1404.1414790	0.22
1407.4290770	0.21
1413.8372800	0.71
1414.4783940	0.19
1417.3205570	0.17
1422.5302730	1.19
1423.8302000	0.15
1426.3353270	0.10
1431.9754640	0.32
1477.5521240	0.19
1555.7213130	0.07
1571.9243160	0.06
1610.7027590	0.15
1796.1392820	0.09
1801.3718260	0.04
1896.7567140	0.03
1957.3859860	0.11
1972.9549560	0.37
1974.3216550	0.16
1981.2072750	100.00
1984.5745850	0.05
1985.8411870	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	306.0763
Annotation	Glutathione
Peak:m/z	Relative Intensity
98.9754944	0.53
113.0936050	0.09
124.9746017	0.16
126.8845444	0.13
127.9525375	9.77
130.1070557	0.10
131.0922241	0.11
135.1411743	0.06
140.9804993	0.11
143.1035767	9.37
144.9009705	0.47
146.1114502	1.44
149.0746460	0.07
155.3302307	0.25
160.0464478	11.23
166.1956177	0.11
167.0194092	0.55
169.0853271	0.10
170.1105957	0.07
171.0259399	1.59
175.1413727	0.07
177.0847626	8.46
177.7696075	0.08
179.0738831	8.87
183.1307220	0.06
185.0995941	0.73
186.0842743	0.15
186.7928772	0.06
191.7569885	0.10
193.3595276	0.11
197.0269012	1.51
198.1240234	0.08
210.1857910	5.42
212.1972656	0.10
213.1083984	2.16
215.8941345	0.42
216.9225464	0.39
218.0537415	0.17
223.2225342	0.07
225.3460693	0.19
225.9855957	0.45
228.2741394	1.08
231.1801453	2.24
236.1417236	0.40
242.1502991	0.96
243.0575562	0.45
244.1150208	0.34
247.1191711	0.30
249.1797791	0.08
251.3121338	0.08
252.2607422	0.07
254.0871582	90.72
255.3110352	0.15
259.2366028	0.61
260.3013916	0.19
261.2989502	0.14
262.1797180	0.41
263.1364441	0.07
268.0120239	3.07
269.2361145	0.48
269.8885498	3.35
272.1246643	100.00
285.2242432	0.30
286.0136414	0.78
288.0128784	76.79
288.6256409	0.68
291.0285339	0.08
296.9440918	0.37
300.1298218	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
108.9924011	0.44
111.1623688	0.35
121.0880432	1.88
122.8700409	0.16
124.8288727	0.55
129.6489105	0.13
133.0659637	0.47
135.1844177	1.74
139.0162354	0.37
142.9556732	0.95
146.9236908	1.55
149.0248413	0.39
157.1910706	0.38
159.0531311	0.49
161.0176086	1.89
169.1642456	0.83
170.9904938	0.51
173.1337891	0.27
175.1765137	0.62
177.4637756	0.24
183.1510468	1.07
187.058075	2.16
188.9771271	0.49
191.2495728	0.79
192.0970917	0.35
193.2042084	0.18
199.1470337	0.35
200.9650726	1.44
202.9007568	0.90
204.9849091	0.44
206.9580231	0.52
209.1575317	0.75
211.2607117	0.33
213.0998535	0.84
214.8092346	0.16
217.1274719	0.35
225.2269287	1.37
226.063385	0.29
227.2191467	1.20
228.1974182	0.37
231.0661926	1.16
233.2844543	0.71
237.3149719	0.27
243.107605	0.87
245.0835876	1.62
247.2409058	4.28
249.066864	0.54
257.0297546	0.41
258.9358826	1.06
260.9058838	0.60
269.3621521	0.40
271.3554688	0.33
281.2153625	0.81
285.3183289	1.40
295.2240906	1.91
297.09729	1.56
299.4432373	2.68
302.9772339	0.23
305.2184448	2.89
313.3242188	0.79
323.2283936	100.00
323.8338318	0.26
324.4346313	0.67
340.3560181	0.23
341.3204651	1.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	242
Annotation	Unknow
Peak:m/z	Relative Intensity
182.9257965	5.20
195.9346313	2.75
198.3140411	0.15
200.8907318	23.78
213.9869537	0.59
218.8292694	4.09
220.6179199	0.68
223.8738251	100.00
241.8935089	7.64
248.9195709	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	344.1158
Annotation	Niazinin A
Peak:m/z	Relative Intensity
102.0249863	0.03
102.9597321	0.46
104.9249649	1.71
115.1021423	0.04
130.0462494	0.83
132.9769897	0.02
147.1492310	0.02
148.2568512	0.15
149.1035004	0.34
159.1456451	0.02
162.9779053	0.03
164.1413422	0.25
166.3414917	0.03
181.9806519	100.00
206.0454559	0.03
281.4232178	0.07
310.1822510	0.07
326.1923218	0.48
327.1797791	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.07
Annotation	naproxen sodium
Peak:m/z	Relative Intensity
83.13539124	2.42
90.10127258	3.39
116.9497986	2.74
150.9501648	4.42
160.8313446	4.81
165.1344147	1.50
183.2245331	13.16
188.9686737	15.20
192.969101	1.92
195.2873993	18.99
206.28862	8.81
207.1654663	35.62
208.1565552	5.24
209.2387848	28.88
214.8721161	42.21
220.0107574	2.53
223.1692352	23.57
224.193985	4.53
231.3696136	6.83
233.1025391	30.76
234.2315063	5.89
235.1671753	1.61
236.0605011	5.23
250.2225189	2.19
251.0607758	100.00
252.1766968	9.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	445.98
Annotation	Unknow
Peak:m/z	Relative Intensity
134.9151001	0.04
201.7997437	0.09
207.9871521	0.07
224.1314087	0.17
248.0551453	1.44
254.8576050	0.05
269.1949158	0.10
290.9629822	0.05
308.9971924	0.06
310.2281189	0.08
311.0668030	0.82
311.9111938	0.38
316.2770081	0.09
333.2139893	0.14
340.0269165	0.12
344.0544434	0.18
348.0865479	0.07
356.2926941	0.04
357.1751099	0.32
358.0672302	0.13
358.8658447	0.06
359.4978638	0.04
372.1301880	100.00
380.5771484	0.14
381.4282532	0.08
383.0375977	0.03
386.1102905	0.06
400.2025146	0.12
410.0011902	0.71
427.3769836	0.15
428.1203003	0.85
428.8840027	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2417
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
96.80368805	0.14
98.92207336	0.52
109.1519241	1.46
116.9374695	0.23
119.0740433	0.64
121.1146011	0.36
122.9580841	1.12
124.8439178	0.22
127.0159912	0.96
130.9708252	0.21
133.1124878	0.64
135.1328735	0.82
135.9742737	0.16
137.0567322	1.10
138.9519043	0.83
140.5615845	0.16
146.8618164	1.35
149.1301117	0.50
151.1325073	0.87
153.099762	1.01
154.9462738	0.37
157.2178802	0.65
159.0927429	0.82
161.1815186	0.70
163.2291565	1.06
165.0204468	0.37
166.4965515	0.61
167.220108	0.24
168.9427795	1.06
171.0885925	0.73
179.0655823	0.40
181.2733154	0.16
183.1188354	4.45
185.2196503	0.26
189.3261719	0.56
192.9019318	0.80
195.1088409	0.61
197.0534515	3.75
198.8544617	0.29
201.1231384	0.95
202.2280273	0.17
203.2040405	0.39
209.0613098	0.47
211.0708618	2.64
213.1114807	1.26
217.2939453	0.30
219.1550293	1.10
221.2633972	1.98
222.4532776	0.40
223.1633301	1.19
225.1751099	1.57
227.1540527	1.72
230.6433411	0.33
233.3478699	2.29
235.2904053	0.30
237.1237183	3.17
239.1660156	10.91
243.3091736	3.55
249.1846313	0.18
251.1816101	3.17
252.533905	1.70
253.2197266	1.76
254.3615112	0.63
255.1387024	0.30
257.2076721	1.05
261.3188477	4.67
269.4869385	0.40
277.1948547	0.27
279.2247314	100.00
280.6328735	0.24
287.7382812	0.32
288.5100098	0.37
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
121.0048218	4.47
132.0897217	3.96
149.0263672	100.00
150.1262207	41.45
159.0180511	5.50
166.941864	25.38
200.3435059	4.13
231.1931763	11.98
260.5122986	16.27
277.8191528	6.71
279.556427	23.01
280.2528076	7.46
348.4361267	4.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.18
Annotation	Tanzawaic acid E
Peak:m/z	Relative Intensity
93.0622406	0.56
96.99436188	0.37
113.2086639	0.15
123.0683136	0.11
124.010498	0.28
160.9436646	0.25
171.153717	0.48
175.0125122	1.00
177.2991943	0.14
185.1305542	0.33
188.0286865	0.22
200.9937744	0.15
209.2791443	0.61
221.2948608	0.57
226.4282227	0.55
227.1494446	1.06
229.3040466	0.08
230.9759216	0.32
232.0845337	0.11
235.4439697	0.15
243.2560425	1.48
243.870697	0.20
244.9362793	4.58
247.0124512	0.22
251.0021973	0.18
252.0062866	0.43
253.0977783	0.72
255.1205139	0.34
257.3253174	0.11
261.0927734	0.93
269.0861206	0.60
271.1645203	100.00
271.8509216	0.85
273.2835388	1.98
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	476.2761
Annotation	LysoPE(0:0/18:3(9Z,12Z,15Z))
Peak:m/z	Relative Intensity
139.2322388	0.05
153.2233734	0.05
154.5850067	0.14
159.1782837	0.22
161.3077545	0.13
163.0634766	0.05
167.3152161	0.07
173.0436096	0.39
176.7723694	0.05
185.2599792	0.08
198.1087036	0.22
207.3224792	0.06
215.8349915	0.35
227.0116730	0.08
243.2333832	0.96
261.2746582	4.51
266.3619080	0.07
283.1267090	0.32
292.0779419	0.09
293.4401855	0.05
304.2837830	1.01
317.4738770	0.61
322.5132751	0.04
335.3134155	60.13
335.9261780	0.15
345.3504333	0.42
359.2165833	0.15
370.4926147	0.06
375.1747437	0.36
378.6396179	0.27
381.4534912	0.05
391.1534729	0.07
395.6098938	0.28
399.4107361	0.19
413.4275208	0.13
415.3551941	10.68
433.3271179	0.82
441.2334290	0.26
458.1752625	100.00
458.8479919	1.55
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	299.09
Annotation	5-Hydroxy-7,2'-dimethoxyflavone
Peak:m/z	Relative Intensity
87.9456406	1.48
102.1264420	0.23
130.0340118	3.56
136.8861084	0.07
147.9218140	100.00
151.9917908	38.64
200.8840027	0.15
208.5368347	0.11
239.0983276	0.30
263.2148438	0.28
280.9327087	2.16
281.5927124	0.02
282.2329712	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	175.0248
Annotation	2-Dehydro-D-glucono-1,5-lactone
Peak:m/z	Relative Intensity
56.8938255	0.21
59.0173721	2.61
66.9946213	0.04
70.9466400	8.13
72.9819565	1.28
74.8539429	0.34
82.9366760	0.15
84.9246216	4.67
86.9203186	2.50
94.9527893	0.23
98.7833252	0.59
100.9395905	3.74
103.1554718	0.03
111.0919800	0.06
112.9882507	7.94
114.8575745	100.00
126.9562988	1.96
128.9856567	1.16
130.9594574	2.91
144.8251801	0.15
146.9225311	0.59
156.9491119	0.47
175.1050110	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2877
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
164.8423462	2.95
205.1680908	3.60
211.0348358	5.41
237.0845032	7.76
267.9885864	8.36
277.0942688	5.90
282.1087952	5.03
283.54245	4.72
301.2279968	4.34
320.1968384	7.18
332.2025757	5.12
333.2560425	3.51
344.9931946	4.87
348.5758667	12.17
350.1721191	9.24
354.3381958	9.28
357.2354736	9.09
363.266449	5.61
366.1680908	4.54
367.169281	10.87
367.8580933	8.30
372.5471497	2.61
380.9033508	2.80
390.1396179	8.95
391.1574402	12.59
406.4347839	17.67
408.2870178	100.00
409.1978455	9.10
411.1430054	4.73
417.1549988	6.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	403.07
Annotation	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine
Peak:m/z	Relative Intensity
118.9619980	0.05
150.9426727	0.05
171.1227112	0.67
177.1598663	0.07
195.0499573	1.17
196.8801422	0.27
205.0065918	100.00
231.1464233	0.09
241.2022400	0.10
261.2538757	0.05
274.8759766	0.07
287.2892456	0.02
297.8888245	0.04
304.9170532	0.15
307.3588867	0.10
311.2124634	0.16
320.2367249	0.11
323.1929321	0.13
329.8896484	0.04
357.2924500	0.22
359.3660278	0.10
360.5794373	0.07
365.0694885	0.24
366.1083374	0.44
367.0151978	3.01
368.2375183	0.30
374.7682190	0.05
384.6868286	0.06
385.2947388	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	475.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
132.8814850	0.09
184.8590240	0.04
243.0872803	0.05
282.8336792	2.64
283.4396057	0.14
294.7383118	0.15
320.1890869	0.04
333.1510620	0.10
342.8557434	0.06
350.1760864	0.36
351.1904907	2.87
358.6281128	0.17
362.2312012	0.17
375.3721924	0.14
380.6679993	0.29
385.0051880	0.11
391.1993103	0.07
393.3132019	0.06
395.0987244	0.06
410.6880188	0.05
413.1391907	0.05
425.1065979	0.15
439.0855408	100.00
439.7616272	0.19
440.5528259	0.12
454.4445496	0.11
457.0558472	10.97
458.1609192	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	551.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9497375	0.26
190.9834900	0.10
209.0557861	100.00
236.2103577	0.08
287.1588745	0.08
325.3212280	0.08
329.3366699	0.05
340.2026367	0.26
340.9914551	0.13
349.3930664	0.08
389.1180420	0.04
399.8284912	0.13
413.5526123	0.05
430.1798706	0.04
458.1210938	0.08
473.1929321	0.12
485.7748413	0.04
488.2321777	0.13
507.0147095	0.08
515.2412109	0.10
532.0971069	0.23
532.9796143	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	385.1137
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
109.1105957	0.01
113.0195923	0.03
135.0410156	0.06
153.0954437	0.05
156.9584961	0.01
160.9802246	0.02
170.8850708	0.04
175.1647644	0.19
204.9091339	0.07
223.3365479	0.13
231.0505066	0.09
249.1012268	9.61
267.1206665	100.00
269.0679321	0.03
280.2039795	0.02
282.8461304	0.05
289.3017273	0.05
295.0927124	0.07
311.1236572	0.01
321.3146973	0.05
323.3517456	0.02
325.2947388	0.02
327.0725403	0.04
338.6021729	0.04
339.2044678	0.06
341.0710449	0.06
342.3195801	0.07
346.3692627	0.01
347.8543091	0.01
349.4624939	0.01
350.1632080	0.04
356.8500671	0.01
364.8518982	0.01
366.2781372	0.04
367.2327576	0.15
368.7937622	0.01
370.1995239	0.02
386.1140442	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2872
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
153.0258026	7.05
155.0761719	13.71
170.9298706	8.63
177.2667694	6.02
200.88797	7.59
211.3367157	7.68
253.9683838	10.44
263.4217834	5.78
267.2937012	14.64
281.2240295	4.86
286.3110962	9.31
289.3122253	16.92
298.3585815	7.61
314.0389099	5.77
328.4816895	7.52
334.1059265	11.74
339.4735107	4.20
355.5174255	5.46
367.2304382	5.21
382.291687	8.89
385.0649719	8.34
386.401825	14.57
394.3668518	13.48
407.26828	20.91
408.2718506	100.00
411.1877747	19.65
413.3250732	9.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
105.026619	0.15
106.9990845	0.74
109.0151138	0.75
111.0027084	0.09
117.1947098	0.05
119.1820831	0.05
121.089798	2.59
129.1758728	0.21
132.9244385	0.36
135.0132294	2.80
136.7108765	0.04
141.0266418	0.21
143.1266174	0.73
145.0169373	0.37
147.0138855	0.17
149.144043	2.01
151.0614319	0.42
152.9251404	0.56
153.9728394	0.06
155.0246582	0.18
157.0421753	1.93
159.0060272	0.34
161.1455994	0.63
163.1542969	0.57
165.0909424	0.60
167.0433197	0.26
169.0801239	1.98
170.7740784	0.26
173.0503845	1.48
177.0600281	0.23
178.990387	0.05
181.238678	0.11
183.104126	1.36
187.0288544	1.88
188.242157	0.12
191.0252686	0.92
192.9983215	0.39
196.9878845	0.29
200.1559143	0.31
200.9172058	0.59
203.1086426	0.23
205.0903473	0.61
206.9602966	0.24
208.9785767	0.30
210.9804993	0.57
215.0258179	0.06
217.1858215	0.30
219.0897217	0.28
223.2710876	0.48
225.1916809	0.55
227.1552124	0.09
231.3449402	0.41
232.7771912	0.28
234.8593445	0.07
236.2091064	0.12
239.118866	0.11
245.2810059	1.05
247.2025452	6.75
255.2276001	0.07
255.9361572	0.11
257.2445679	0.53
259.1729126	3.45
263.3227844	0.10
267.2284241	0.17
271.1265869	0.14
273.0637207	0.24
275.1385803	0.21
279.0975952	0.17
281.2762146	0.11
283.2301025	0.47
285.3854065	0.46
286.3682251	0.09
295.3451843	0.93
297.0770264	0.05
299.1889038	3.10
300.1608887	0.21
305.2193604	3.60
313.1685181	1.50
314.0586548	0.15
320.4068909	0.61
321.015686	0.25
323.2468567	100.00
323.8826294	1.46
325.3129883	0.35
340.9354248	0.94
341.5965271	0.03
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
88.2519379	0.05
99.0814819	0.05
115.8775253	0.24
120.1834717	0.07
125.6559525	0.03
127.4182281	0.33
128.0788422	8.76
135.0217896	0.04
143.0438232	9.63
144.9914856	0.67
146.0207520	1.31
153.2948608	0.20
155.0810242	0.12
159.0549774	0.18
160.0894165	11.15
166.0049591	0.32
167.0857544	1.20
170.0349579	0.22
171.1622620	1.53
177.0064087	9.04
179.1003418	8.37
185.0210266	1.49
191.9924011	0.13
197.1825562	1.88
203.1645203	0.19
210.1748047	6.19
213.0874023	1.97
224.3186340	0.19
225.7316895	0.05
228.2214661	0.92
231.0718079	0.86
236.1299438	0.47
242.1479492	1.05
244.2686768	0.09
254.0780640	92.94
270.1642761	0.37
272.1123962	100.00
273.3962097	0.08
288.1521606	66.36
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	450.0564
Annotation	3-Hydroxy-5-(methylthio)pentyl glucosinolate
Peak:m/z	Relative Intensity
138.9508667	0.04
144.0363464	0.06
162.9424133	0.13
186.7940063	0.02
189.7988892	0.07
191.2236176	0.30
192.1093750	0.53
193.2288208	0.03
195.1601257	0.58
208.0204163	0.57
223.7720795	0.04
225.1000366	0.05
227.0367432	0.20
241.2263489	0.03
251.9006042	0.03
254.4391174	0.03
256.8773193	0.22
259.0940857	2.68
272.2331848	0.28
275.0900574	0.83
291.0557556	1.26
303.9345093	0.05
306.2248840	0.03
314.2274780	0.03
315.8344116	0.13
329.0704346	0.15
334.1303711	0.03
345.0594482	0.04
357.3316956	0.11
360.3035278	0.05
370.1233826	0.39
386.1399231	100.00
387.1169128	0.04
388.9916687	0.08
405.1438293	0.03
414.3815613	0.06
420.4631042	0.04
432.3506165	0.03
435.1426086	1.76
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
176.5723419	0.11
206.9517822	0.40
290.5492554	0.89
291.2171631	0.28
323.0244141	0.05
373.8998413	0.22
374.7238770	0.25
385.2393799	0.14
446.6336670	0.19
458.5347290	13.46
459.1806641	0.21
460.8068848	0.09
475.0452271	0.52
482.9071045	0.09
488.9750977	0.40
490.7604370	1.31
520.3073120	1.16
520.9861450	0.17
540.6295776	0.07
542.5352783	100.00
547.3036499	0.07
561.6653442	0.20
566.7234497	0.08
580.4440918	1.46
603.5836792	0.98
604.1877441	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 B
Peak:m/z	Relative Intensity
96.86541748	1.57
98.73064423	0.40
121.0538483	0.56
125.1146622	0.40
125.9736176	1.25
126.9236755	0.71
134.8894501	1.55
137.1854553	0.90
139.0681763	1.54
143.1129761	0.90
149.0637817	2.16
153.1000366	1.56
157.3156433	1.39
165.1335297	0.60
166.9556885	0.54
168.9552002	2.39
170.9182434	2.08
172.6160583	0.63
174.1145477	0.50
180.7492065	0.64
182.9682465	3.17
185.0342102	3.92
193.2735901	0.27
197.1199188	4.95
199.1027832	2.84
207.3250122	0.60
209.3512878	1.71
211.0651245	2.44
213.4098206	0.99
219.10495	1.29
223.2269897	1.30
225.232605	2.02
227.1141357	1.90
233.1217957	0.33
237.1943665	3.02
238.4248962	2.37
239.2079773	3.12
241.2392578	0.67
243.1286316	3.37
251.336853	1.98
255.3469849	0.43
261.29953	5.83
267.4858093	1.92
277.0299988	0.42
277.7741394	0.37
279.2345581	100.00
281.1892395	0.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	664.96
Annotation	Unknow
Peak:m/z	Relative Intensity
197.0104675	0.64
209.0900879	0.20
274.7606506	0.37
276.9023132	0.40
285.2198486	0.32
289.0036316	1.03
292.8340454	0.93
303.0775757	2.39
310.9807129	0.32
316.0201416	0.08
318.9931946	5.42
323.1246338	0.08
323.8355713	0.21
341.2216797	0.17
345.0478516	0.24
358.7121582	0.31
360.5819702	0.32
366.9661865	1.83
380.0362549	0.46
383.1993408	4.21
385.1332397	8.46
390.9696045	6.37
401.0596924	5.30
402.9880371	0.22
404.8765869	2.07
406.9728394	0.41
410.9910278	0.26
412.6506348	0.92
420.9410400	28.80
423.1331787	8.83
426.7165527	2.25
428.6455078	5.36
439.0759277	4.52
444.5872803	0.86
446.2921143	0.61
460.7817993	0.21
485.0634766	10.93
494.7975464	2.20
496.7496948	7.31
500.6342163	0.56
502.9699707	100.00
504.0372925	0.90
510.6744995	5.78
512.5519409	27.78
514.8898315	0.81
519.0181274	3.69
521.3333740	0.42
528.4660645	7.71
529.3822632	0.92
531.2118530	0.21
535.2922974	0.13
545.0571899	0.42
553.0545654	30.09
578.4983521	4.25
580.0882568	1.51
580.7192993	20.31
596.5173950	6.13
597.3112183	0.57
598.9705200	0.61
599.9124146	0.18
618.9645386	0.15
622.0560913	7.81
622.7107544	0.16
629.2715454	0.13
647.0633545	1.74
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	296.88
Annotation	Unknow
Peak:m/z	Relative Intensity
103.9986725	0.13
128.9345398	100.00
152.7306824	0.17
183.0973206	0.13
206.8868103	0.26
212.8123169	36.45
224.6210632	0.20
229.0771790	0.36
266.8933716	0.35
282.1005859	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	251.0714
Annotation	7-Hydroxy-3-Methylflavone
Peak:m/z	Relative Intensity
95.00787354	0.33
110.9333191	0.38
141.0763702	0.55
151.2905731	0.83
152.05336	0.49
155.1237183	1.31
157.1945648	1.01
160.9556732	0.48
162.7204437	0.25
165.1430511	1.69
166.7433929	0.93
170.8351135	0.66
174.136734	0.31
179.365036	1.59
180.0880127	0.91
181.1823425	1.96
182.7802277	0.28
187.1947632	1.08
192.9921112	0.39
194.544693	0.83
195.2687988	2.73
195.9826813	0.52
206.8967438	11.80
207.5973663	0.15
208.2988281	5.88
209.2320557	4.15
212.8336639	0.46
214.9665985	3.27
221.0457306	4.58
221.9746246	5.16
223.0638885	16.82
230.9970093	0.70
233.119751	5.64
235.1055145	0.96
251.073288	100.00
252.1552277	27.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
77.07606506	0.04
80.78538513	0.04
84.79147339	0.02
94.80171204	0.17
103.052124	0.17
108.8865051	0.04
121.9506378	0.09
122.9608917	0.24
128.944519	0.99
130.1989441	0.18
130.8678894	0.05
132.9776306	0.14
141.1431885	0.10
142.1969147	0.04
150.9713287	9.29
152.0044708	1.61
153.0030975	0.20
154.0480499	0.06
155.0424194	0.30
156.2666321	0.06
159.1049042	0.04
165.1551819	0.09
167.0054169	0.24
168.1592102	0.04
169.0416718	0.41
170.0087433	0.16
171.9583282	0.03
179.0330353	0.19
180.9499664	0.15
182.0364532	0.04
182.8989868	0.11
184.2380524	0.29
185.2065277	0.42
186.4897003	0.10
192.2460938	0.05
195.176239	0.14
197.1697693	0.92
197.9521027	0.21
206.0514526	0.08
208.9996643	0.02
210.1302643	0.06
211.1655884	0.03
212.3083954	0.04
217.3513947	0.09
218.1364899	0.04
224.1634064	0.05
225.0744629	1.50
226.1487885	0.29
235.5235748	0.28
236.2688446	0.75
237.0689087	0.11
238.1759491	2.00
239.1455078	0.44
240.1135254	0.08
251.2789764	0.19
253.0828247	100.00
254.2348175	2.78
255.2826538	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	477.0637
Annotation	4-Methoxyglucobrassicin
Peak:m/z	Relative Intensity
154.0792542	0.14
188.0444031	0.33
195.0576782	0.29
204.2841034	0.34
224.1148529	0.26
241.2009735	0.05
250.9343567	0.65
255.1944275	0.19
256.8060608	0.16
258.9844055	2.71
269.1364441	0.39
272.9669800	0.07
273.9397583	0.17
275.0846558	0.65
283.0779114	0.14
283.8913269	1.54
284.6374817	0.09
290.9984131	0.96
295.3163757	0.32
297.1634216	0.09
297.9692993	0.08
299.3277893	0.26
313.1096191	0.31
314.9485474	0.09
327.3050842	0.40
331.2658081	0.19
334.2125549	0.17
365.3163147	0.22
383.1224670	0.41
416.2568054	0.78
429.4185181	0.28
446.0882263	100.00
447.1150818	76.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	225.0753
Annotation	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone
Peak:m/z	Relative Intensity
71.0362701	0.05
76.8134613	0.07
97.2175751	0.06
99.9727783	0.09
104.7657166	0.08
109.0609589	0.14
119.1753540	0.12
125.0845490	0.03
126.9685516	0.08
130.9020691	0.06
137.0227203	0.05
138.7372894	0.02
145.1493835	0.06
147.1210785	0.22
149.0157166	0.12
152.1824493	0.03
152.9117432	0.06
159.1388245	0.08
164.9920807	0.19
167.0843964	0.10
179.1062317	0.47
180.0465240	0.16
181.1639709	0.44
183.0793304	0.34
183.9502411	0.53
188.9186707	0.26
193.0517578	0.10
195.0524750	0.04
197.1780243	0.15
200.8000641	0.03
204.6966705	0.10
207.0119629	100.00
208.0320129	0.43
209.0307007	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
98.80280304	0.31
106.7497101	0.60
109.0819931	0.89
111.1605377	0.44
120.8980331	1.03
122.9665985	0.42
125.1348267	0.65
132.9385681	1.60
135.0054932	0.45
142.9286041	0.46
144.9375305	0.46
147.0089417	0.74
148.9856873	1.09
151.1276855	1.25
156.8501587	0.32
158.9665833	1.11
161.0171814	1.64
163.1193237	1.53
165.1409607	0.15
169.0203552	1.13
171.3838348	0.16
173.0303955	0.34
175.0078735	1.00
177.3250732	0.27
178.9081116	0.15
182.9459381	0.77
185.0803833	0.11
187.0105743	0.24
189.0366821	0.26
190.9411011	1.50
192.9994659	0.16
197.1230469	0.46
199.2282104	0.18
203.1406097	1.54
205.069397	0.88
205.6806793	0.08
207.2626038	0.34
209.0678711	0.62
209.9469299	0.20
210.830658	0.20
213.1210022	0.23
217.074585	1.44
221.0768433	0.17
223.34375	0.33
225.07724	0.52
227.1931458	0.46
231.1043701	0.53
242.434021	0.35
245.2497559	1.16
247.3152466	5.74
252.9928894	0.79
255.2263794	0.71
256.0581665	0.56
259.0945435	1.38
263.1598206	0.30
267.3548279	0.10
269.1691284	0.31
270.4505005	0.37
273.2290039	1.08
274.7674561	0.09
278.9732056	0.48
281.1315308	0.77
283.1697388	0.97
285.1251526	0.13
287.3453979	0.36
290.224823	0.24
292.43573	0.28
293.2081299	0.33
295.2046509	0.96
296.3097534	0.19
297.1247864	0.82
298.2778015	0.27
299.0807495	2.02
299.9754639	0.80
303.2210693	0.20
305.2606812	3.22
312.3146362	0.85
313.3187256	2.69
323.2382202	100.00
324.292511	1.31
325.3331299	0.57
332.8119812	0.44
340.7585754	0.63
341.3955994	0.58
349.0411682	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	746.69
Annotation	Unknow
Peak:m/z	Relative Intensity
275.1136475	2.41
290.7702332	3.79
426.6498413	9.40
442.6261597	11.30
458.2252197	6.67
494.7351074	14.41
510.6203613	37.18
511.2684937	0.63
526.6235352	5.49
546.3772583	0.84
578.5369263	44.79
579.2554932	0.32
594.5401001	48.81
610.4649048	7.27
640.3091431	3.88
641.3319702	0.65
647.7029419	1.87
662.4541016	100.00
663.4750366	2.14
678.7557983	8.23
699.7132568	3.38
700.5761108	6.24
701.2081909	2.92
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.0000458	0.46
108.9514465	0.29
121.137352	2.30
123.0337677	0.55
127.2073364	0.17
128.9143372	1.25
130.2195892	0.39
131.1282349	0.31
133.1429138	0.20
135.0678406	1.20
137.0289001	0.16
139.1887512	0.25
141.9977112	0.15
146.9006348	0.17
149.0351868	3.10
151.0133362	0.32
157.1747742	1.09
159.1141968	0.61
160.8997498	1.10
163.1569672	0.46
169.0733643	0.88
171.2990112	0.23
173.0526276	1.53
174.0325165	0.42
174.978363	1.25
177.0886078	0.46
188.9451904	0.30
191.2041931	0.64
197.1650391	0.85
201.1049042	0.40
203.0294647	0.73
205.0566711	0.37
209.2098083	0.24
211.1976624	0.65
212.883606	0.71
217.1834717	1.56
222.8215637	0.54
225.052124	0.21
227.1791687	0.29
231.0947876	0.55
235.212616	0.39
239.3647461	1.49
242.8641357	0.30
245.2529602	1.14
247.2418518	3.13
253.1611633	2.44
254.9606323	0.75
257.1702271	0.37
259.2922974	1.62
262.3858643	0.15
263.9042358	0.15
267.1903076	0.93
268.9525452	0.35
269.8320312	0.85
277.655365	0.15
278.2765198	0.14
279.4817505	0.89
280.1199951	0.16
281.1489258	0.64
282.2043457	0.33
284.2799988	0.17
290.3417969	0.41
295.281311	0.93
299.40979	1.15
301.5794678	0.87
303.1685181	0.79
305.2736816	1.77
309.6502075	1.75
313.5226135	0.97
323.2454224	100.00
324.2762756	1.11
325.2242432	0.28
340.4642334	0.62
341.3568726	1.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2502
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
118.8901672	0.59
120.9375305	3.86
123.0977707	2.22
128.8585205	1.78
130.9026794	1.98
133.1787567	1.59
135.0713196	1.06
141.0665131	1.62
143.0068665	3.98
145.0259399	0.25
147.3050232	3.07
148.9725952	1.12
150.9508667	0.25
152.9625702	0.51
154.9106445	0.64
158.969574	0.90
161.1162872	1.42
162.8769073	0.32
165.0845032	0.47
167.2256012	0.35
168.9169617	2.81
171.0664062	1.26
173.0898743	4.07
175.3041229	0.49
179.0662994	0.73
183.181427	2.02
186.9692993	2.16
190.9727325	0.57
192.7012787	1.40
197.1347046	3.22
203.1451416	0.79
205.2287445	1.31
207.063324	1.30
209.2743835	0.37
210.9605103	8.95
217.2167664	1.50
219.2789307	0.90
223.1904907	1.37
224.9019775	0.78
226.9167786	1.69
229.2241211	0.40
230.7120361	1.14
231.5478821	0.80
233.4641724	0.54
235.0222168	1.22
237.3270264	2.34
239.0742188	0.58
241.1505737	2.24
243.1138611	1.44
245.3760071	2.13
247.4305725	6.79
251.1974182	0.99
252.9411011	0.42
257.44104	0.90
261.1747437	1.41
263.1920166	1.24
267.3762817	0.81
271.6022339	0.56
273.0280151	0.64
277.4325562	1.74
280.9536133	0.47
282.3723755	0.61
285.1499023	0.50
287.3166199	1.12
289.1628723	0.25
293.1085205	1.61
295.348053	3.87
297.1752625	0.25
299.4112549	4.04
304.9397888	2.11
305.6311646	1.63
310.0505981	0.87
313.8475037	0.49
317.0680847	1.81
323.2368164	100.00
324.1025391	0.64
325.1306458	4.32
326.0488892	1.19
341.3261719	1.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	710.65
Annotation	Unknow
Peak:m/z	Relative Intensity
290.7943726	4.41
292.9235229	0.15
374.5580444	2.09
456.5847168	0.14
458.6710205	25.72
502.1225586	0.15
502.7341919	0.14
542.5216675	100.00
544.7265015	0.23
557.5469360	0.36
558.4505005	0.14
559.0680542	0.16
572.9694214	1.17
574.4171143	0.60
578.3728638	0.27
580.5934448	0.22
590.5964966	1.51
604.4879761	2.67
619.0798950	0.18
624.0864868	0.26
624.8242798	0.33
626.3796387	35.23
627.0957642	0.08
646.6187134	1.14
650.5202026	0.49
662.8905029	0.63
663.7919922	1.16
664.7559814	1.31
686.8480835	0.31
687.6587524	1.69
691.0913696	0.39
693.3401489	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	267.01
Annotation	Unknow
Peak:m/z	Relative Intensity
175.7828217	0.02
180.2203522	0.04
184.9241333	0.13
211.0151215	0.02
223.0187836	0.05
225.8251801	100.00
226.4426422	0.35
243.7417145	17.31
244.4273071	0.05
245.8796844	0.05
266.0272827	0.04
266.9467773	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	304.1021
Annotation	Uralenneoside
Peak:m/z	Relative Intensity
205.1819458	2.38
262.9184265	4.17
286.9639893	100.00
294.7931519	2.35
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0854
Annotation	2'-Methoxyflavone
Peak:m/z	Relative Intensity
92.14532471	0.04
95.12586975	0.05
103.1768951	0.15
104.0515442	0.06
106.8910217	0.02
107.9220734	0.04
123.0387115	0.08
124.8717346	0.02
125.9445496	0.04
127.2512665	0.05
128.9293365	0.63
129.921936	0.34
130.8966827	0.02
133.0372925	0.04
140.947525	0.06
146.129715	0.02
147.1401367	0.02
148.1976013	0.10
150.9650726	10.16
152.0450897	1.51
152.9308167	0.13
154.9777374	0.07
156.1893616	0.02
157.0372467	0.04
165.0192719	0.03
166.435318	0.21
167.1485138	0.39
168.0609894	0.23
169.110321	0.29
170.1522369	0.06
173.0252991	0.04
175.3522186	0.06
177.4610901	0.10
178.2587128	0.06
179.1484222	0.37
180.0514374	0.17
181.0595398	0.24
182.2623749	0.06
183.0223694	0.21
185.158493	0.37
186.0142365	0.05
190.0218201	0.03
190.9194183	0.02
192.4655609	0.02
194.0578003	0.27
195.0886841	0.04
196.104538	0.06
197.1635284	0.41
197.9772034	0.31
198.922821	0.23
205.9541626	0.18
206.8435059	0.02
208.0335999	0.04
209.0614624	0.06
209.8985748	0.10
211.1038666	0.02
217.3295441	0.07
218.1820221	0.11
225.1017151	0.78
226.1735229	0.52
236.001236	0.56
238.1651611	1.96
239.0534668	0.42
251.1540527	0.18
253.0957794	100.00
254.1156158	2.69
255.2484131	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	308.0901
Annotation	Glutathione
Peak:m/z	Relative Intensity
115.8901825	0.68
116.8289490	0.67
117.9290466	0.56
130.0484009	0.15
143.9454346	1.09
144.9505920	0.73
145.9543457	3.41
147.0694885	0.21
152.0467529	0.03
152.8142700	0.19
161.9918213	9.98
163.0208893	8.68
164.0051575	22.16
174.7978516	0.04
178.9904480	47.81
179.9994507	46.53
180.9610291	100.00
186.9941101	0.21
189.2718506	0.05
206.0357971	0.23
206.9225159	0.04
214.1602173	0.09
215.2455750	0.26
216.0354614	0.28
217.1032104	0.43
232.9923706	4.58
234.0056763	13.24
235.0988770	20.01
245.0513611	0.27
246.1265869	0.72
246.9882202	0.77
263.9155273	0.09
266.0430298	0.09
268.8209534	0.08
272.0618286	0.08
273.0611267	0.72
274.1086731	0.89
289.9447021	0.23
291.1408081	7.95
292.1748352	7.03
293.1911316	3.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	537.1951
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
157.1150208	0.51
187.2046661	0.92
202.9998169	4.35
205.2839661	0.87
217.1470947	0.22
232.7939758	3.44
235.3663483	1.09
250.8746338	2.98
265.2456055	0.74
289.3450928	1.89
307.3318481	0.60
321.0141602	1.12
327.0403442	1.54
330.1671753	0.60
333.6620483	0.66
339.4398193	2.52
345.0730591	0.30
357.1400146	27.97
359.1835327	5.55
361.1540527	0.71
368.4403687	0.38
371.3126831	1.04
375.1479492	100.00
378.0481567	1.22
383.505249	0.33
387.4519653	0.25
395.8892822	0.49
439.0043335	0.33
446.4303589	0.60
450.0823364	0.76
450.9412842	0.39
460.6089478	0.79
470.0286255	1.22
473.1171875	0.57
483.3620605	0.33
491.1298828	0.44
492.1276245	0.63
496.2894897	0.33
499.3527222	0.57
500.867981	2.80
507.3057251	1.23
515.0878906	1.14
517.0735474	0.90
518.704834	3.97
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
142.9786224	1.19
164.2376709	4.93
169.1130066	3.02
177.0716705	2.58
181.2707367	3.72
197.3431396	3.16
199.0860901	1.74
209.0595703	6.37
211.0144348	7.49
221.3077698	2.84
225.0834351	1.84
226.9721375	8.85
229.3122559	1.74
239.1674805	2.38
253.1632385	2.08
255.1025085	1.52
266.883667	2.46
269.3102417	5.35
275.3092651	17.58
290.1341553	4.22
293.2190247	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	360.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
114.0586700	0.14
127.1351852	0.35
144.8186798	0.21
162.8279419	1.25
179.8783722	4.29
197.4311676	0.27
198.0683289	3.65
205.2391663	0.18
246.8328857	0.33
258.6381226	1.13
259.3192139	0.56
271.1195679	0.14
276.9140625	0.32
288.9131165	4.91
306.8367920	3.58
323.3967285	0.07
324.8872986	100.00
325.6081543	0.10
335.7529297	0.31
342.0849304	6.81
343.0022888	6.87
345.5835876	0.14
351.5477295	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	564.79
Annotation	Unknow
Peak:m/z	Relative Intensity
192.7138062	0.10
195.0962830	0.10
211.1077118	2.79
241.0214081	0.91
245.1840820	2.71
253.0081940	0.10
256.7363892	0.32
258.1659241	0.22
259.1331177	0.80
270.6897583	0.19
280.0695190	0.58
293.2412109	0.09
297.0230103	0.13
300.7608643	0.07
305.0961304	0.44
321.0176392	0.96
323.0723267	99.88
323.7977905	0.16
343.0704346	0.27
355.7485352	0.32
362.0910645	0.07
368.9799194	4.47
372.9523926	0.19
379.2555542	0.08
381.0205078	0.66
385.1077881	2.97
394.9108887	0.92
403.1757202	1.90
414.8995361	0.14
418.1364746	0.74
419.1409302	0.54
429.1257935	0.94
431.9401855	0.21
432.8726807	0.65
445.0619507	0.10
449.0532837	0.77
453.2839966	0.16
454.9520264	0.09
466.7784424	100.00
480.7725830	0.15
490.8474731	0.27
518.3421631	0.23
522.2405396	0.10
526.8606567	0.42
528.6311646	0.49
546.0120239	1.07
546.9671021	2.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	466.81
Annotation	Unknow
Peak:m/z	Relative Intensity
194.9218445	0.42
213.8176727	0.18
281.0538330	0.12
287.9719849	0.13
313.2259521	0.21
324.1336975	0.24
330.0905151	0.40
330.8533936	0.09
334.9013672	0.12
339.1678772	0.07
348.9673157	0.24
350.9100952	7.61
367.7408142	0.41
368.8814697	100.00
379.0185852	0.34
392.9103088	0.26
430.7283325	0.15
448.9316711	7.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	388.0722
Annotation	3-Metyl-3-butenyl glucosinolate
Peak:m/z	Relative Intensity
120.1082153	0.25
126.9609222	1.03
146.0343018	100.00
225.1672058	0.69
271.2916260	0.29
288.5825806	1.43
289.8628235	7.15
307.9467468	22.96
351.9256287	0.36
355.1645203	2.47
367.8185120	0.74
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2421
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
92.79426575	0.14
96.99223328	0.45
98.78754425	0.71
109.1794968	0.85
123.0443573	2.62
124.9164581	0.93
133.0447998	0.47
136.8717346	2.32
139.0211182	12.63
141.1124878	0.71
143.1772766	0.68
148.9946136	0.34
151.0810852	0.21
152.9194183	2.85
154.9952393	0.32
156.9259644	0.16
163.1652832	0.21
165.1796112	0.38
168.7532654	1.74
177.2714233	0.38
183.1145325	2.51
188.5810242	0.59
191.2922363	0.41
197.0434265	19.44
203.1087646	1.19
207.2316589	0.49
210.9528503	1.32
213.2001343	3.19
217.1167603	0.19
221.1624451	5.32
223.2658081	0.51
224.9957886	0.59
227.2430725	1.64
233.3649902	0.17
235.2186584	1.11
236.155365	0.34
237.1864319	2.55
238.6580811	3.15
239.2797852	24.39
241.0154724	0.58
243.070343	0.63
251.0697632	0.55
252.0282898	0.46
253.2979736	2.49
255.1133728	2.95
255.7285767	0.71
256.7875366	0.96
261.2445068	2.20
261.875946	0.29
267.4708557	0.39
269.2765503	1.34
279.2270203	100.00
281.1316833	0.35
297.1931152	1.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.0311508	0.36
109.1062393	0.56
110.9949875	0.04
116.9531097	0.05
121.0112152	1.09
123.0134277	0.28
131.0973969	0.42
132.8196106	0.08
135.0421143	1.44
136.7476807	0.14
142.9716187	0.82
145.1777039	0.23
146.9509888	2.01
149.0495911	1.80
151.2283325	0.38
155.098999	0.11
157.0974121	0.36
159.1551514	0.10
161.0273743	1.86
163.1432343	0.33
165.1251526	0.48
169.1056213	0.17
173.0498505	0.96
175.1529846	0.28
177.1021423	0.68
178.9388123	0.18
182.9845581	0.49
184.8806458	0.17
186.9876251	0.45
188.9684143	0.71
190.9994812	0.34
197.0914612	0.33
199.1339264	0.20
199.9183197	0.25
200.9933167	0.18
203.1391296	0.78
205.0162506	0.36
211.0236816	0.56
212.9295044	0.39
217.1455994	2.15
219.2285767	0.03
223.2501221	0.27
225.1752319	0.21
227.0570374	0.50
229.2254028	0.25
231.0095825	0.75
243.2963562	0.42
245.1597595	1.96
246.203949	0.05
247.3403625	3.48
251.3254089	0.06
253.3722534	0.20
255.2994995	0.08
256.9521484	0.40
259.0628662	0.65
261.3278198	0.11
270.2113647	0.11
271.0865173	0.19
273.2225952	0.23
277.2020264	0.05
282.306427	0.14
283.5993347	0.43
284.2742615	0.05
285.3148193	0.24
287.3312683	0.45
294.7062988	0.18
295.3496094	0.38
296.5280457	0.30
297.3893433	0.06
299.2068481	0.55
303.3595886	0.27
305.2088318	2.19
307.6314697	0.12
309.1832886	0.05
312.6149597	0.17
313.3312378	0.24
320.50177	0.16
323.2473755	100.00
324.25177	0.31
326.0515137	0.07
327.160614	0.09
341.1912842	3.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	264.0877
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
160.070282	0.96
163.020401	3.18
175.9322662	7.34
192.9634094	1.23
195.3734741	1.04
204.7026367	0.72
217.8438568	2.49
220.0954132	100.00
221.0254364	0.88
222.0212555	1.36
228.0287018	0.92
234.1059418	1.84
234.833786	3.28
235.9383392	4.74
243.9332428	2.19
245.2843781	11.63
246.2821503	17.78
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0853
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
102.9791718	0.62
107.0193024	1.34
129.0158234	8.46
141.1140594	3.88
147.1586151	1.13
151.021759	100.00
152.1950531	2.08
155.0980377	1.42
157.1410065	0.81
167.0930634	6.92
168.2915497	0.62
169.2577667	1.99
171.187439	1.97
179.0098114	3.81
180.0916595	1.95
181.0643311	0.53
182.3271484	1.24
183.2285919	5.11
185.1043854	0.66
186.1355591	1.03
189.3884277	0.99
193.9729462	0.62
197.0462494	9.77
206.7890167	2.65
216.8801727	0.94
225.0220337	18.49
226.0339355	3.89
235.3178253	5.33
238.0989838	22.76
239.1645355	3.95
251.1226959	1.85
253.0847168	74.59
254.2247925	5.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	343.1225
Annotation	Lactulose
Peak:m/z	Relative Intensity
162.8205566	1.43
166.5931702	0.44
193.8702393	0.92
212.8362427	0.40
222.7607422	0.25
270.9237976	0.98
278.3065186	0.25
288.7371521	2.95
307.0141907	1.43
324.9694214	100.00
325.8806458	0.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	339.0718
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
114.932724	0.43
133.0132751	2.36
155.2410126	0.01
164.0856323	0.14
168.1542206	0.01
179.1734009	0.83
183.2178497	0.03
208.1733704	0.10
215.0320435	0.02
223.0546265	100.00
223.8777466	0.03
231.2541199	0.01
240.8082886	0.01
251.116272	0.04
256.1422119	0.01
265.3588867	0.01
271.9568481	0.01
279.2039795	0.01
280.8668823	0.01
285.3314819	0.02
293.2461243	0.02
294.7021484	0.06
303.0061646	0.06
313.7223206	0.01
319.2489319	0.13
320.1894531	0.26
321.137207	0.20
321.7380371	0.01
322.9419556	0.01
324.1916809	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	380.77
Annotation	Unknow
Peak:m/z	Relative Intensity
196.9511719	0.13
209.0381470	1.15
210.9317932	0.87
212.9015503	8.26
233.9481506	0.19
247.0202942	0.23
248.0029907	0.27
282.0939941	0.18
294.8833008	0.33
296.8027954	100.00
321.0929565	0.81
332.3702698	0.37
334.7960205	36.55
336.6791992	0.69
362.2260437	4.14
363.2379761	1.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
110.7300186	0.34
127.2751923	0.54
128.9655151	0.97
139.2198792	2.21
141.243103	1.45
154.976593	1.61
179.7502136	0.74
182.1550293	0.70
184.8098907	1.80
187.3017273	1.40
199.1904602	0.50
203.1807556	1.94
214.9329834	1.56
227.0955505	3.56
229.3836365	1.29
235.1192322	0.77
241.1196289	1.94
243.0492859	3.07
243.9490662	0.42
245.1875305	1.73
252.2084656	0.30
253.204071	0.50
259.2600403	1.35
269.5161438	2.08
271.3492126	2.12
273.061615	0.74
279.3287354	0.66
281.3774719	1.56
283.0679321	2.92
285.4026489	2.35
286.2112427	0.80
287.2354126	2.75
294.1971741	0.38
295.3263855	5.38
297.22229	2.83
297.9676208	0.68
299.256073	2.74
301.4819336	1.21
311.1342163	15.02
312.1238403	1.14
313.0461426	3.04
313.9579468	2.56
315.4314575	2.87
319.3460693	1.27
321.1641235	4.91
322.0822754	3.98
323.2705688	8.96
325.3314819	1.93
327.1589966	0.39
330.5331726	0.40
334.8221436	4.18
335.7175903	2.31
339.2487183	100.00
340.2208557	5.37
341.3338928	15.09
342.4837036	0.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	360.6378
Annotation	Unknow
Peak:m/z	Relative Intensity
122.0173798	0.04
146.0809937	0.03
157.3561249	0.03
164.0484619	0.13
179.1909180	0.08
181.2219543	0.03
187.1825409	0.04
199.0187988	0.02
216.1476135	0.04
217.3961792	0.06
251.2979736	0.03
253.8593750	0.02
258.1495056	0.05
260.9827881	0.08
269.3461914	0.12
286.9951172	0.02
298.3912354	0.16
301.5003967	0.10
302.4232788	0.16
311.1575928	0.15
312.2239990	0.17
315.0978394	0.15
315.8367920	0.13
316.6798401	0.07
317.3578186	0.05
328.8546143	0.09
330.8065491	0.03
342.8571472	2.37
343.6866150	0.16
351.8193054	100.00
352.7533264	0.78
354.2298279	0.04
356.7874146	0.06
361.3439026	0.06
389.0402527	0.07
428.1907654	0.03
428.8244934	0.04
447.5018616	0.12
505.3383484	0.19
557.3810425	1.38
558.4412842	0.26
563.4951782	0.10
564.2722778	0.05
566.2791748	0.02
567.6633911	0.09
580.9325562	0.11
582.2844849	0.21
586.4924316	0.08
595.3114624	0.06
599.5599976	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	438.9794
Annotation	Unknow
Peak:m/z	Relative Intensity
152.0396881	0.08
155.1290894	0.16
176.0725555	0.09
181.0582886	0.12
188.5141144	0.04
201.0875092	0.23
202.9837799	0.18
213.0648193	0.46
213.9316711	0.09
226.2896729	0.08
226.9702911	0.23
240.2493286	0.07
242.0929871	0.03
242.9614563	0.21
245.2406616	0.12
246.8048706	0.06
248.0387878	0.05
249.3930969	0.03
258.0737610	0.30
265.2251892	0.11
270.9606018	0.37
273.1312866	0.03
275.0411377	0.17
276.2528381	0.04
277.0060730	0.07
286.7779541	0.20
287.6213379	0.17
290.1198120	0.05
290.9868469	0.13
292.2928467	0.11
293.0955811	0.04
296.6524048	0.21
305.0051575	1.89
307.0309448	0.39
308.2402344	0.08
309.2805176	0.14
310.2702942	0.04
314.9466553	1.44
317.3534241	0.07
318.1067810	0.20
322.3570557	0.10
332.9718018	8.10
333.9259033	0.04
335.0400391	1.15
341.1502991	0.24
342.1881104	0.06
348.9918518	0.89
354.3972778	0.10
358.5826111	0.50
359.1898193	0.63
360.9517822	0.03
362.0858459	0.06
365.1094971	0.08
375.4634094	0.18
377.0016785	3.89
378.5013733	0.04
385.2366638	0.12
392.9306335	0.03
394.0418396	5.25
395.1144104	7.27
398.2710571	0.14
402.9506226	8.86
403.8798828	0.14
417.4734192	0.04
420.9336853	100.00
421.5895081	0.16
433.9257812	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1038.96
Annotation	Unknow
Peak:m/z	Relative Intensity
466.2296448	0.18
621.9943848	0.69
767.3518066	0.20
798.8300781	0.17
842.3249512	0.11
918.6014404	0.08
925.8443604	0.13
927.7490234	0.17
939.1303711	0.08
954.4460449	0.75
955.7879639	0.11
992.7597656	0.39
999.0688477	0.94
1002.2132570	0.55
1011.0836180	0.23
1017.8154300	0.38
1021.2224120	0.35
1082.2678220	0.91
1102.6081540	0.28
1137.9724120	0.09
1139.4123540	0.37
1158.8364260	0.15
1205.3471680	0.32
1206.4215090	0.38
1207.0782470	0.25
1225.8094480	0.19
1249.1041260	1.29
1485.4421390	0.31
1498.2667240	0.35
1636.6915280	0.62
1785.8308110	0.28
1818.2716060	0.22
1836.0882570	0.13
1842.1315920	0.45
1866.4534910	0.19
1891.6263430	2.31
1892.5792240	0.08
1899.7354740	3.00
1908.9611820	0.06
1913.8748780	0.17
1917.4510500	1.50
1918.4210210	0.13
1921.1075440	0.38
1922.1885990	0.32
1923.3927000	10.03
1924.6583250	0.31
1936.0743410	0.44
1937.5140380	26.17
1938.4362790	0.18
1939.2257080	0.15
1946.7248540	9.88
1947.5147710	0.03
1953.5290530	0.56
1954.2789310	0.14
1955.0225830	15.96
1957.5944820	14.90
1960.5173340	0.16
1964.6976320	0.52
1965.3674320	1.36
1970.7537840	0.12
1981.1788330	0.39
1986.5567630	0.14
1988.5241700	0.36
1991.5554200	2.81
1993.4066160	1.94
1995.7593990	0.27
1997.1721190	100.00
1999.1385500	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	261.15
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
127.1347351	0.19
129.0921478	0.46
148.3458099	0.29
183.2693787	0.27
192.9042358	0.15
196.8494415	0.14
199.3042145	0.22
200.197525	0.14
201.2222137	0.15
202.7941589	0.20
205.9077454	0.21
214.8400574	0.23
215.9091187	0.20
217.1307068	1.24
219.9016418	0.16
220.8325195	0.37
224.9165649	0.54
226.0805359	0.26
231.2941132	0.13
233.0046234	0.12
243.1399384	100.00
244.0747223	0.57
245.1848145	4.82
246.0539551	1.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	209.0666
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
66.7935791	0.09
68.8498917	0.48
71.0280991	1.57
72.6763458	0.05
82.9373322	1.17
84.8747101	9.03
86.9131165	13.49
88.8793030	2.09
97.0120087	2.39
98.8753967	5.73
100.9804993	0.58
110.9723511	11.86
113.0024109	0.35
114.7983704	4.97
115.4301758	0.03
122.8648376	0.13
128.9249573	100.00
129.9555054	0.14
133.1625366	0.24
140.9984283	8.82
143.0041199	0.11
144.5986023	0.14
159.0242310	49.51
163.0718231	0.19
164.9090271	0.42
173.0820007	0.16
177.0699615	1.30
189.9506531	0.06
191.0669861	1.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	478.29
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
140.054657	0.38
205.9564209	0.62
213.859436	0.54
223.0605164	0.22
225.9659576	0.19
226.9549255	0.55
228.9173584	0.98
240.0910492	0.38
242.1319275	1.20
253.3294067	2.75
279.2432861	0.24
281.2484741	100.00
282.1186829	0.72
293.3091736	1.24
322.1055298	0.36
339.2348022	0.18
340.1604004	0.46
341.0887756	0.16
360.0777283	0.66
363.0339355	0.19
365.7670593	0.27
376.9931946	0.42
378.1647034	0.19
379.0466919	0.39
385.025116	0.24
392.9570618	0.36
393.6901245	1.40
394.4665527	0.84
405.9695129	0.34
406.6958313	0.40
414.4024963	0.22
417.2806091	0.62
421.502594	1.24
425.2181702	0.32
432.3580627	0.80
433.0579224	0.56
434.9385681	0.72
437.4130859	0.77
438.3724365	0.31
440.3062439	3.23
442.2135925	2.13
443.1650085	0.93
459.3106384	1.43
460.3569336	3.38
461.1201782	0.76
461.8365173	0.57
476.4298401	0.46
477.9858704	0.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	477.0635
Annotation	4-Methoxyglucobrassicin
Peak:m/z	Relative Intensity
138.8708191	1.94
155.9130554	0.82
158.9844666	1.02
163.0236206	1.51
170.4299927	2.26
171.0653687	1.32
195.0338898	2.18
199.1889343	3.76
201.1286316	4.10
203.3551788	0.58
204.2070160	0.64
224.2637329	1.28
227.0166016	7.70
235.1530151	26.84
241.1050720	7.19
253.0892029	0.76
254.1822510	1.16
259.0780334	100.00
275.0605774	69.42
275.8827209	0.89
281.0996399	4.37
284.0061951	12.99
291.1036682	39.24
297.1552734	0.99
299.1171875	15.24
314.9689636	0.61
328.1865845	1.20
397.3057556	14.75
416.8226624	1.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.22
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
110.7985153	1.33
123.8194962	1.87
124.9957581	1.45
134.7774963	4.15
138.8674774	1.96
146.9001465	2.07
155.0690308	2.52
165.1522217	1.44
181.0993347	1.23
193.8572083	2.48
194.9824982	3.42
196.7793884	16.01
205.0800476	2.61
211.0559692	5.96
215.239502	2.90
216.7434387	2.91
226.7788696	1.44
238.6823425	1.03
253.260498	11.88
267.3285217	7.25
269.1964722	7.98
273.0498352	1.44
275.1575317	8.79
281.118927	1.02
283.0942383	2.82
284.133606	1.85
293.2028503	100.00
302.2357788	2.59
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
112.9172134	0.93
114.8959351	0.09
117.8980408	0.17
118.9148026	0.91
124.8784103	0.07
131.0204773	0.60
132.7097473	0.12
143.0129547	2.58
148.9708710	0.63
161.0312805	8.70
172.9954376	0.11
177.1847687	0.06
178.9350739	30.78
221.1585388	6.14
232.7835999	0.71
233.4167175	0.18
234.9391479	0.09
239.1105042	0.11
241.1166382	0.07
250.7913513	1.37
262.3869019	0.52
263.0321045	3.96
273.1614075	0.30
279.1028442	0.44
280.8933105	12.49
289.5551758	0.11
310.8160706	0.18
317.1584473	0.34
322.5189819	0.11
323.1709900	1.89
333.3288574	0.41
339.1874390	0.09
341.2389526	100.00
358.9994812	0.27
359.8778992	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
105.0522842	0.09
107.0116425	0.18
108.8950806	1.08
120.9233627	1.64
122.8866119	1.26
123.4972382	0.23
124.8871307	0.11
129.0243835	0.12
130.961792	0.19
132.8647614	0.30
135.0825653	1.83
136.720108	0.17
138.8362427	0.11
143.1707611	0.39
146.9932556	0.82
149.056488	2.11
150.7519379	0.13
151.4039612	0.28
155.077179	0.12
156.9553833	0.90
158.9704437	0.20
161.0774078	1.32
162.931488	0.58
164.9741211	0.39
168.9194336	0.43
170.9643707	0.45
173.1629333	0.34
175.2098236	0.18
179.0871277	0.46
180.9821167	0.10
182.9275818	0.61
187.0415039	2.12
189.0957489	0.87
191.1936951	1.00
193.4468384	0.09
195.1885376	0.45
196.9281006	0.86
203.0549011	0.96
205.1671448	0.17
211.0355225	0.95
213.0765076	0.15
217.149292	0.99
221.3032227	0.78
223.4273071	0.52
225.2113647	0.09
229.0835876	0.55
231.0141296	2.40
233.1993713	0.23
234.0905151	0.17
235.3474731	0.23
236.3174438	0.37
237.0901489	0.19
239.2164001	0.14
240.6798706	0.19
241.3284607	0.33
243.3327637	0.52
245.2966614	2.63
247.2757874	3.81
251.2753601	0.33
253.0774841	0.33
254.1410828	0.14
255.4030151	0.10
256.3023682	0.46
259.2546082	0.23
261.4780273	0.15
265.6169128	0.12
267.0632935	0.24
273.2120972	0.35
275.3034668	0.46
277.3569946	0.60
279.1882324	0.25
283.2747192	0.33
285.1298218	0.35
286.0410156	0.26
287.366272	0.21
289.194458	0.17
291.6713562	0.33
295.2175293	0.80
296.43573	0.11
298.9216309	1.02
299.6220093	0.40
302.8088989	0.28
305.2189941	4.04
313.2774048	0.84
317.4620361	0.66
323.2401733	100.00
323.8504028	0.33
325.1740723	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	316.2839
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
91.06591034	0.57
92.92344666	0.25
95.0375061	0.19
99.96309662	0.24
108.9415588	0.47
110.943573	0.39
118.0039749	0.36
119.0672379	0.29
123.0423355	1.22
123.7820129	0.17
124.9286346	0.21
126.6400986	0.17
133.0527649	0.31
135.2955475	0.58
136.8252563	0.30
139.1609802	0.53
146.9547729	0.33
148.9473724	0.79
151.1191711	1.68
152.9360657	0.23
153.6422424	0.42
154.6291199	0.32
161.1464691	0.76
165.0717163	0.70
169.0829163	0.17
175.1307068	0.43
184.06604	1.22
192.9445801	0.52
198.0908813	0.18
200.0743561	0.42
205.2554321	0.53
207.030426	0.16
210.9510498	0.23
212.2048645	0.68
216.381012	0.22
219.3725586	0.53
220.3218689	0.43
221.1834412	1.94
225.2534485	0.16
228.4787292	0.53
233.1316528	1.46
233.7703552	0.12
234.4227905	0.14
236.4446411	0.23
237.074707	0.58
239.0549622	1.70
241.1217041	0.74
242.3895264	0.92
245.2498169	2.46
249.3667603	0.39
250.3254089	1.06
251.3679199	1.76
252.9346619	1.34
255.2528076	0.34
257.3014526	0.46
262.3812866	2.24
263.2919312	2.61
265.4606323	0.13
267.0496826	1.22
268.1852417	1.85
269.6608887	0.31
270.3914185	0.28
271.1704407	0.76
271.7745667	0.50
274.8979492	1.46
280.2799683	45.71
281.0571289	0.82
282.1657715	0.31
285.128479	3.30
298.2742615	100.00
299.1273193	6.30
315.7712708	0.65
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
92.97373962	0.25
95.00648499	1.35
98.88814545	0.34
122.9427719	0.33
126.9608917	0.47
129.130249	0.32
136.0532837	0.30
139.0112762	0.38
141.166214	1.21
142.9031525	0.69
148.8348083	0.22
150.7729187	0.22
153.0466003	0.22
155.0679016	1.38
156.8693695	1.43
161.0384216	0.47
163.2319794	1.14
165.1365967	0.66
166.9467468	1.31
169.1311035	0.86
174.993042	1.80
177.0947266	1.13
179.0947266	0.43
182.9910126	0.40
184.1539459	0.29
185.2497559	0.43
187.2122803	0.61
188.8262939	0.59
191.1047668	0.45
193.0878601	1.72
193.7765045	0.21
195.1449585	0.75
197.0445862	4.56
198.2494049	0.20
200.5823669	0.76
203.0749817	0.31
204.9491882	0.85
207.2920227	0.61
211.1031494	0.78
213.1934814	0.18
215.0834045	0.23
221.3473816	0.97
222.8318787	1.29
224.9882812	3.47
227.1800232	1.54
228.9272461	1.12
231.310791	0.40
233.2234192	1.18
235.1506042	1.76
237.087616	0.80
238.1664124	0.49
239.2805176	3.16
240.2709351	0.77
241.2667236	1.22
245.2979736	0.43
247.4610901	0.50
249.1004639	0.27
250.0281677	0.34
251.2670898	3.48
253.1355286	7.46
255.1992798	1.01
257.2645874	2.67
265.0258789	3.75
265.9315491	1.64
267.2956543	2.55
268.2869873	2.71
269.3772583	1.11
275.1571045	13.78
276.0843506	0.49
283.046814	1.95
293.2039795	100.00
294.09729	0.17
302.3448486	0.99
310.8656311	0.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	468.206
Annotation	20-COOH-leukotriene E4
Peak:m/z	Relative Intensity
214.9504395	0.06
220.8527527	0.04
243.6462097	0.09
245.9955444	0.06
258.1974487	0.05
272.9857788	0.04
275.2866211	0.06
285.9683228	0.07
287.2217712	0.07
303.3676147	0.05
304.3338623	0.04
306.0782166	0.16
307.0527039	0.03
319.3518982	0.12
327.3091431	0.13
329.2106934	0.11
331.0846863	0.23
332.1039429	0.04
337.3342896	0.90
338.1454163	0.42
339.0745544	0.40
345.0590210	0.30
351.3406372	0.11
352.3977051	0.14
354.3878174	0.10
363.3274841	5.21
364.1624146	0.26
372.1669312	0.21
381.2653503	100.00
382.2091370	2.27
384.9296570	0.11
389.3099670	0.32
396.1570435	0.13
400.2421570	0.06
407.3369141	1.72
408.6418457	0.11
413.6619568	0.08
422.3293152	0.10
424.1283875	0.05
425.0968323	0.10
430.0890808	0.26
432.1655273	0.75
436.0708008	0.07
438.3836365	0.06
441.2984619	0.07
448.3966064	0.06
450.2887573	3.04
451.2972107	1.31
453.7044373	0.04
469.1541443	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	418.8944
Annotation	Unknow
Peak:m/z	Relative Intensity
146.8845367	0.16
158.8707581	0.04
175.0124512	1.08
229.1391907	0.09
244.8159180	0.25
272.9528503	12.98
273.9367371	0.31
275.0023193	0.28
289.0226440	28.14
304.9038086	100.00
329.1998901	0.13
334.2164917	0.15
335.3625183	0.11
342.6963501	0.09
344.9710083	0.23
372.0735474	0.34
373.1202698	0.70
374.2674561	0.87
374.9822998	0.58
376.1539612	0.19
389.4778748	0.21
390.9729919	0.59
401.1084290	0.68
418.8683777	0.48
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
138.022583	0.24
167.1620178	0.48
171.1561584	0.75
173.2409821	0.99
185.1506042	1.20
186.7508087	0.28
187.4104462	0.38
197.1786194	0.43
198.9813995	0.93
200.9133911	2.64
215.1636658	2.20
217.5282593	1.47
225.2580261	0.53
229.3876038	0.44
231.2185669	0.78
243.2714539	3.30
245.0488586	1.64
245.9239807	0.26
257.244812	3.58
259.0305786	0.92
262.0732422	0.46
266.3138733	0.56
267.0594177	0.50
269.2748413	1.10
271.2675476	3.31
273.267395	0.92
281.2191467	0.35
283.217041	1.76
285.2664795	2.70
297.128418	5.04
299.40271	3.29
301.121582	1.15
311.1951599	7.26
313.2340088	4.29
313.9551697	1.56
315.4329224	0.26
316.2660522	0.31
318.1173706	0.37
320.3509521	0.44
321.3412476	1.90
322.1771851	0.18
323.2675781	7.08
325.5852051	0.33
327.2702026	1.70
328.7216187	0.97
329.5289917	0.63
336.7331543	0.75
339.2510376	100.00
339.93573	0.19
341.2641296	15.99
342.2796936	0.59
358.0837708	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
116.9971542	0.37
130.998764	0.24
143.2272949	0.31
148.9847717	0.20
161.1163025	0.46
169.0838013	0.34
171.0502319	0.60
173.1648712	0.24
187.0776062	1.37
201.161087	1.19
203.7046967	0.36
213.2660217	0.55
215.1854553	1.50
215.9261169	0.24
216.877533	0.32
219.9513855	0.22
221.1924744	1.02
227.1316833	0.79
229.1402283	3.70
231.335968	0.65
233.1601868	0.50
241.1874695	2.10
243.2838745	2.32
245.3084412	3.26
251.6835632	0.44
255.272522	1.77
257.2558594	1.36
261.9159241	0.60
263.3248901	1.40
265.2044067	0.20
267.1721802	1.10
269.4690247	1.03
271.3061218	2.65
272.1634827	0.30
273.1655884	1.12
277.346405	0.22
283.3112183	1.09
285.25	4.26
287.1395264	0.79
289.1191406	0.22
295.1049805	4.36
296.0551147	0.99
297.230011	8.54
299.2920532	2.65
307.303894	0.55
311.2071533	3.05
312.0868225	0.88
313.1818237	7.62
314.2859802	2.24
315.1120911	3.44
318.9501038	0.95
319.8092957	0.84
321.2346191	4.22
322.0383606	3.57
323.1513062	8.04
325.2084045	0.57
328.9157104	1.59
329.6167297	1.32
330.2910156	0.91
337.1434326	2.20
339.2535095	100.00
340.1208191	0.87
341.3821716	11.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	342.86
Annotation	Unknow
Peak:m/z	Relative Intensity
178.9351196	0.38
180.8363495	0.15
190.9038086	2.75
206.8536682	6.39
242.5965881	0.58
252.1976318	0.32
258.8385925	84.69
274.8584900	100.00
282.7559204	0.40
296.0296631	0.69
296.9842224	0.51
324.1796570	15.57
325.2218628	2.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	602.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
171.0281677	0.09
175.4961853	0.03
177.0661621	0.17
179.1053772	0.28
180.1527710	0.08
201.4084167	0.11
207.1304779	0.09
209.3550110	0.03
216.1319122	0.04
221.1184692	0.03
235.3507996	0.05
239.3784180	0.12
241.2263641	0.34
242.2650452	0.11
251.3484802	0.15
253.0153503	0.17
256.3393250	0.10
259.2756653	1.40
260.5154419	0.08
272.0212097	0.27
275.3493652	0.19
277.2228394	19.22
278.3201904	3.40
290.9675903	0.06
292.2810669	0.21
295.2590637	0.65
296.5048523	0.56
300.3829956	0.05
307.3636475	0.06
309.1885986	1.19
310.1447144	0.60
317.3091431	0.08
334.4835815	0.06
336.3436279	0.49
352.1850586	0.11
353.3115234	0.60
355.3104248	0.20
362.4774170	0.14
368.4112549	0.23
370.2365112	7.61
371.3755493	2.22
380.1581421	1.40
381.2123413	0.37
403.3029175	0.04
420.1223755	0.18
421.1060791	0.08
431.4423828	0.07
432.4687500	0.10
438.2088623	2.17
439.3035889	1.15
440.5851440	0.33
447.4966431	0.05
455.4006958	5.26
456.1694946	7.56
457.0991821	2.03
473.2624512	100.00
474.2794800	22.73
474.8853149	0.36
484.0133667	0.08
487.2331543	0.29
499.5177612	0.08
506.4512939	0.11
510.4375610	0.10
527.4190674	1.93
528.4373779	0.39
534.9099731	0.13
539.3493042	0.77
542.4923706	0.11
545.1049805	0.04
557.3744507	0.24
562.1830444	0.14
566.2969971	0.39
567.3943481	0.06
584.4351196	3.37
585.4096680	1.33
586.2741089	0.05
591.3307495	0.15
594.3998413	0.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	520.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
163.8839722	0.04
177.0696716	0.28
194.8383636	0.14
206.6635284	0.08
207.7161865	0.09
210.0634613	0.04
221.5370178	0.02
230.0081024	0.04
237.0073547	0.07
252.1197968	0.06
259.2603760	0.04
305.9275513	0.03
310.0252075	0.03
318.6012573	0.10
326.8422241	0.04
342.0908203	0.21
343.2728271	0.05
353.2523804	0.05
358.1310425	0.04
405.3841553	0.02
422.1315918	100.00
422.7563477	0.13
435.9408569	0.16
440.0839233	0.15
475.0752563	0.40
476.1488037	0.08
481.2778320	0.05
484.1735229	0.03
490.2445068	0.07
502.2859497	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	584.81
Annotation	Unknow
Peak:m/z	Relative Intensity
180.9855957	0.73
197.0087585	0.10
248.9417267	3.51
264.7858887	4.22
265.4246826	0.03
280.3233643	0.17
280.9433289	0.84
296.9594727	0.02
302.7478638	0.04
332.7167969	17.56
333.4097900	0.34
348.2313232	2.62
348.8591919	11.63
363.5633545	0.23
364.6458130	0.85
365.2628784	0.02
416.6999512	46.98
432.1354370	5.29
432.7650146	16.66
448.3467407	0.96
449.1804810	0.03
492.3390503	0.09
500.0086060	9.87
500.6119385	100.00
501.2549438	0.32
510.2286377	0.12
516.5182495	2.33
537.6215210	0.08
566.1958618	0.14
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	265.0847
Annotation	N-Acetylcystathionine
Peak:m/z	Relative Intensity
90.0257416	0.20
118.9415741	51.98
129.1266327	0.18
129.9716797	0.82
132.4750824	0.17
135.8717651	100.00
136.7252655	0.31
147.9616394	0.08
187.0439453	0.16
199.9235992	0.63
200.8459930	0.15
202.0196381	2.21
204.9754639	0.19
209.1661682	0.34
216.9107819	0.46
219.2615814	0.23
228.9266205	0.78
237.0820770	0.26
246.9962311	3.47
248.1037750	9.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2629
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
82.7940979	6.81
84.98947906	2.79
106.8140106	7.97
108.9387512	4.09
111.0847931	4.68
120.9242935	6.44
123.066124	8.05
128.9420166	1.92
143.2215424	6.41
146.7982178	2.78
151.2577515	3.45
155.0393372	2.78
160.7715912	4.90
162.9135437	7.56
164.9201965	12.60
167.1184845	4.09
168.9648895	5.31
175.236084	3.44
182.5901489	14.35
186.9824829	3.01
193.0666351	5.52
194.1114807	6.63
206.969635	8.12
211.2984314	8.33
224.9464417	25.82
242.0540466	8.55
247.3664246	20.01
265.2468872	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	306.95
Annotation	Unknow
Peak:m/z	Relative Intensity
123.0496216	0.15
174.8914642	28.03
201.0004578	0.70
209.0268250	100.00
214.9750366	23.30
216.8055725	0.26
223.0241394	12.57
260.9492798	0.31
288.4544678	0.67
289.1294250	2.12
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
92.82206726	0.48
96.10125732	0.25
96.88132477	0.60
107.9580078	0.29
109.0226593	0.56
120.7867813	0.22
122.7845612	2.18
127.2222977	1.11
132.8356628	0.23
134.953598	1.32
136.2055664	0.31
138.0040588	0.22
139.0698853	3.08
141.1072083	0.73
143.0138855	0.50
147.1567688	0.43
151.0015259	0.86
153.1598511	1.00
153.9170532	0.32
154.7152405	0.40
161.0158386	0.68
167.9931793	0.86
168.9064941	0.36
170.673645	1.04
172.9408875	1.21
177.0066528	0.71
182.9032745	0.81
189.5354767	0.36
191.4132233	0.34
193.2323914	0.82
196.9346313	5.58
198.9927368	0.45
201.6343994	1.07
203.0939026	3.22
209.2175293	0.90
211.0792847	0.96
212.0998535	0.99
213.3345337	1.41
214.8755798	1.46
218.0801392	0.25
219.2407227	1.00
220.1229248	0.38
221.2159729	1.20
231.2222595	0.43
233.276062	1.68
235.3157349	0.47
237.179718	2.50
238.7000732	3.36
239.3080444	11.07
243.2938843	1.02
251.1472778	0.54
252.2630615	0.22
253.3205566	1.17
255.4247437	0.66
260.971405	6.17
269.1438293	2.50
274.2281494	0.85
276.8018188	0.58
279.2324524	100.00
287.999176	2.31
288.8549805	1.17
304.862793	0.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0855
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
81.05175781	0.06
95.06616211	0.16
97.03313446	0.08
104.9908447	0.27
108.8100891	0.14
118.7623138	0.41
121.9060974	0.04
122.996109	0.22
128.0247498	0.10
128.9487457	1.00
129.8918152	1.26
133.1066284	0.08
134.0721741	0.18
137.0730896	0.10
138.9600677	0.24
140.772644	0.24
143.1580353	0.17
146.0318146	0.07
146.9741974	0.33
147.9944916	0.17
150.9413757	11.12
151.895752	3.12
152.9568329	0.54
154.1693268	0.13
156.0296173	0.06
164.9594574	0.13
165.9437103	0.22
166.981369	0.39
167.9304352	0.28
168.563446	0.23
169.2161102	0.06
170.9848785	0.05
172.2177277	0.07
175.1521454	0.24
176.1220856	0.26
177.055954	0.49
179.1690674	0.33
180.1300354	0.15
182.2691956	0.05
183.1578674	0.09
184.414566	0.40
185.0243225	0.25
188.0857239	0.11
190.0285187	0.31
191.5870514	0.28
193.9487457	0.28
194.7759552	0.06
197.2139282	0.57
198.2511292	0.40
198.9199982	0.51
206.0184021	2.54
207.0418549	0.11
208.1148682	0.18
208.9533539	0.06
210.0009918	0.07
211.2410736	0.16
212.3968353	0.10
217.1482697	0.49
218.2193909	0.78
222.1528473	0.09
224.2253723	0.06
225.1574554	1.45
226.1521606	0.84
227.1161499	0.14
235.1002655	1.34
236.0548859	5.15
236.973999	0.13
238.083374	2.07
239.0795746	1.06
239.8475494	0.07
251.1296997	0.35
253.0871582	100.00
254.1420898	3.98
255.1763306	0.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	402.9171
Annotation	Unknow
Peak:m/z	Relative Intensity
130.4750061	0.01
131.1882629	0.03
147.0398254	0.04
158.8642120	0.23
174.9172058	0.54
229.1555786	0.03
244.9169922	0.17
272.9721069	4.59
273.8213501	0.02
288.9247131	100.00
312.2805481	0.03
329.0639648	0.31
334.6130981	0.02
356.9890137	0.22
358.7416077	0.19
384.8681030	0.08
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
153.1219482	0.03
179.2987671	0.03
190.9778137	0.09
196.0867004	0.30
205.3860626	0.04
214.1149292	1.64
219.3512878	0.11
221.3116150	0.31
221.9349823	0.05
228.4159698	0.11
229.2509460	0.03
233.3107605	0.48
240.8755188	0.10
259.2120056	0.59
274.8237000	0.20
275.4463196	0.53
277.2561035	100.00
296.2298279	0.07
341.4010315	0.06
342.3901367	0.06
368.2241211	0.06
378.4116211	0.03
381.6902771	0.10
384.5390625	0.22
386.2764587	0.25
393.5758972	0.14
401.0466003	0.19
404.3912048	0.33
405.4840698	0.26
411.1058350	0.07
413.4634399	0.11
428.1535950	0.34
430.1767273	0.54
431.2582703	0.38
436.2929382	0.09
437.4083557	0.30
438.3711548	0.43
445.0331726	0.15
448.9700012	0.06
455.4788513	0.16
456.1003418	0.28
457.0569458	0.62
459.1723938	0.15
460.4356384	0.14
464.9617310	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	259.02
Annotation	Unknow
Peak:m/z	Relative Intensity
78.8604202	13.19
96.8326569	100.00
125.1362152	0.33
131.2216034	0.84
138.9226837	8.38
143.0042114	0.28
144.8324738	0.37
151.1302643	0.26
161.1424561	2.00
168.8845062	23.45
171.0035706	0.37
177.0497437	0.76
195.1467133	0.26
199.0090790	25.21
205.0738983	0.63
207.1721954	0.55
223.0204773	2.44
241.0871124	23.97
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	632.88
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1241455	0.10
228.8951416	0.07
230.9101105	0.12
245.0821075	0.07
247.1130066	0.12
266.5194702	0.04
273.0178833	1.98
274.0880127	0.70
275.0363770	0.87
288.9935608	4.70
290.0526733	0.90
291.0856018	1.12
386.9688110	0.86
388.1529541	0.96
389.1500854	2.30
402.9800415	16.64
403.9522095	8.19
405.0261841	11.27
458.9348755	0.05
501.6372681	0.10
502.8690186	0.75
516.8733521	43.03
517.8854980	58.84
518.8885498	100.00
519.5100098	0.33
543.9248657	0.10
547.8355103	0.08
558.9992065	0.12
561.9152222	0.03
572.7931519	0.07
586.0648804	0.26
586.9854736	0.30
588.8917236	1.02
600.0645142	0.16
605.0852051	0.11
606.9502563	0.07
614.9931030	0.09
623.1143188	0.04
632.8848267	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	358.1125
Annotation	Aesculin
Peak:m/z	Relative Intensity
121.0645065	0.22
121.8417511	0.13
132.9649353	0.25
188.7118835	0.50
207.1013489	100.00
207.9818420	0.17
211.3981628	0.36
223.9768372	1.21
233.0565186	0.31
248.0268860	0.25
249.8920898	0.47
255.2630920	0.27
262.1964111	0.32
262.9486084	0.61
276.0961304	4.62
285.4815674	0.55
290.3797913	0.49
293.6554260	0.87
294.3000793	2.35
295.2654724	0.30
312.2077026	0.52
313.2904968	0.54
321.4265747	0.73
323.3272400	0.70
326.0643311	0.13
339.3325806	4.76
340.1603699	11.22
340.9276733	34.68
349.8710022	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.82
Annotation	Unknow
Peak:m/z	Relative Intensity
161.7251282	0.13
190.8747253	4.74
206.9398346	7.65
258.9743958	0.74
274.7758484	100.00
290.8030396	67.63
306.5473938	0.74
320.9651184	0.76
337.0571899	0.82
342.7098389	27.31
354.8395996	0.29
357.0275879	0.31
358.2520447	2.84
358.8591003	8.52
367.0320740	0.44
391.2232666	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	477.1036
Annotation	Pedaliin
Peak:m/z	Relative Intensity
147.1912842	0.29
150.7798462	2.88
178.8436432	1.64
192.1277161	0.29
202.0591736	0.67
204.0795898	2.86
205.1628418	0.41
208.0362549	1.33
215.2136536	0.57
233.2256012	0.88
236.9508820	0.71
243.3746033	0.32
245.0243835	0.64
246.3111267	1.12
247.4724121	0.48
257.1919861	0.64
267.3410034	1.21
268.2795715	0.32
271.1684265	6.02
273.0324402	2.48
280.0094299	0.33
283.4030762	0.22
285.0619202	4.13
286.1214294	4.81
291.2235107	2.08
295.0957642	0.47
297.1777954	0.61
299.1469727	7.38
300.1109619	5.73
302.0289917	0.29
312.3115234	0.89
314.0760498	100.00
315.1487732	40.42
316.1456299	0.89
326.9937439	0.73
329.1203003	2.71
339.8588867	0.78
342.3041687	0.57
357.1754150	26.69
358.4229431	2.66
387.2275696	2.42
431.1080933	2.39
441.3661804	0.29
446.2929382	1.08
447.2835083	1.55
449.2843018	2.79
454.0312195	1.03
458.8365784	0.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	246.0603
Annotation	Ascorbalamic acid
Peak:m/z	Relative Intensity
83.9346848	0.08
84.9647675	0.12
110.0989532	0.03
111.0838013	0.03
114.7216797	0.03
127.9147034	0.69
129.6799011	0.50
131.1854858	0.43
137.9807587	0.83
138.8993683	0.10
141.7201996	0.04
143.9917450	0.54
145.9598083	0.54
152.0680084	0.09
156.0351715	0.62
163.9794464	0.06
167.1569672	0.19
170.0788422	0.28
174.0288544	100.00
181.8687439	0.31
186.0603943	0.24
199.0401154	0.39
200.0035248	1.74
204.2131500	0.11
210.0221405	2.58
210.9393921	0.04
227.9862671	31.69
229.0381622	1.48
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
105.044342	0.14
105.8896027	0.09
113.0152893	0.07
116.9601593	0.29
121.0431976	0.09
130.0536346	0.05
137.0733795	0.02
140.8916779	0.03
143.12883	0.11
144.9764099	0.17
146.0119171	0.23
146.9848328	0.04
149.0529938	0.68
158.9233856	0.06
165.0706024	0.27
165.9645233	0.05
167.2332458	0.08
169.1154633	0.34
174.0441284	0.31
174.9553375	0.05
176.9574738	0.13
178.3378754	0.34
179.1538239	0.84
180.1637573	0.94
180.9228363	0.43
183.1519623	0.16
185.1501617	0.15
191.1982269	0.05
193.2033844	0.49
194.0577698	0.50
195.1771545	0.55
196.1314545	0.17
203.0464325	0.02
204.9943085	0.19
206.3029633	1.26
207.1202393	7.63
208.0658112	7.24
209.1633148	2.35
210.1317902	0.19
216.142868	0.04
222.1366119	6.56
223.1306	9.96
224.177063	1.35
233.0288696	0.44
235.1430664	0.13
236.0138092	0.33
237.1472778	0.04
249.3778229	0.03
251.0798187	100.00
252.0617676	78.33
253.167099	2.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.278
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
140.0674744	0.12
148.9002686	0.03
152.8643188	0.04
157.0210876	0.03
196.1153564	1.98
197.0961304	0.08
198.9172516	0.08
200.87854	0.58
205.0520782	0.02
214.0322723	2.04
218.921875	0.07
237.3247375	0.02
255.2329102	100.00
256.2552795	15.94
269.0949097	0.02
281.0537109	0.03
284.1743774	0.02
311.8323364	0.03
316.9813232	0.02
326.9626465	0.01
351.1723938	0.04
361.3736877	0.02
362.8703003	0.01
367.4476929	0.05
374.5502014	0.08
379.2555237	0.06
390.7851868	0.21
391.4221191	0.28
392.2065125	0.07
407.3270569	4.59
408.1856995	0.05
409.441925	0.18
410.2529297	0.03
411.230072	0.05
414.1842346	0.02
415.1663208	0.01
415.9142761	0.06
417.1662903	0.05
418.3828735	0.09
425.1852112	0.06
434.1276855	0.03
435.2336121	0.50
436.1474304	0.02
438.3799133	0.09
439.3952332	0.32
449.3125916	0.03
457.3907166	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1121.07
Annotation	Unknow
Peak:m/z	Relative Intensity
890.0841064	0.49
989.9270020	0.40
1045.4759520	0.34
1247.1530760	0.29
1251.8503420	3.18
1263.6062010	2.45
1274.2412110	1.53
1276.2766110	2.24
1280.8818360	4.64
1285.3551030	26.19
1286.0516360	2.58
1288.2921140	3.83
1293.8312990	1.72
1296.4924320	1.51
1350.1284180	0.21
1370.2127690	0.74
1530.8839110	4.91
1538.1998290	1.52
1633.7205810	0.48
1701.1729740	1.03
1800.6838380	1.25
1802.0057370	0.27
1808.3278810	1.56
1843.6473390	0.74
1853.6145020	0.58
1863.7702640	1.00
1865.6584470	1.16
1879.5404050	1.61
1888.5573730	76.56
1907.3204350	5.35
1925.9240720	15.07
1939.7037350	0.59
1949.2355960	3.82
1954.1544190	0.29
1962.3309330	0.61
1967.0520020	0.40
1971.6781010	0.23
1973.0172120	0.20
1974.8127440	22.67
1978.6026610	1.79
1982.1925050	2.01
1985.6148680	70.55
1986.3885500	20.85
1991.4045410	100.00
1996.5070800	5.45
1997.8211670	0.25
1999.0876460	8.26
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.18
Annotation	Tanzawaic acid E
Peak:m/z	Relative Intensity
150.8588867	0.19
161.0282745	0.24
162.9234772	0.40
175.0467834	0.58
177.0120239	0.39
184.9941101	0.23
191.0751343	0.06
197.1264343	0.06
200.9096069	0.18
207.716095	0.12
208.9952393	0.54
211.0178528	0.16
221.3564758	0.28
227.2381592	0.58
230.0844116	0.08
243.2755127	0.23
243.8978882	0.28
244.9919739	0.41
246.1228943	0.28
247.2033081	0.16
251.3852234	0.08
252.1167297	0.09
253.28125	1.41
254.1014709	0.06
255.2346802	0.12
262.3275146	0.30
271.1618652	100.00
271.765625	0.58
273.1025391	1.81
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	372.0423
Annotation	2-Methyl-2-propenyl glucosinolate
Peak:m/z	Relative Intensity
117.0871582	0.77
119.0675888	1.77
128.8169861	1.27
129.9924164	3.09
131.0006714	0.22
138.9181213	1.08
145.0900726	2.00
148.0187836	0.48
149.0961456	0.92
163.0239716	3.95
176.0717468	0.72
179.0035706	0.60
181.0010529	0.69
194.1453552	12.61
195.0730591	6.27
209.1524811	1.10
209.9246216	1.93
222.9570618	2.15
224.0593872	3.63
227.0595703	5.41
238.2196350	0.52
241.0622559	4.35
259.0585632	100.00
272.2278748	0.42
274.3350830	1.78
275.0043945	28.45
281.0553589	0.71
292.0735779	13.52
293.0982971	0.92
301.0486450	0.67
311.1667175	1.93
324.9770508	0.27
341.6064453	0.89
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	709.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
209.2659912	0.23
231.1809387	0.08
238.1763611	0.10
272.1453247	0.09
304.3044739	0.18
306.0681763	0.44
328.1247559	0.26
331.8790894	0.18
338.1693115	0.36
344.1403198	0.06
360.0822754	0.24
365.4049683	0.09
367.0098267	0.06
383.2244263	0.07
424.0464478	0.17
449.2577515	0.06
460.2309570	0.07
461.2922974	0.11
482.3389893	1.55
498.8637695	0.23
510.1849365	0.23
528.4257202	0.05
543.4629517	0.31
546.9355469	0.09
558.0976562	0.08
564.5733032	0.25
572.5293579	0.13
575.7994385	0.31
580.1500854	0.22
583.0675659	0.08
593.1334229	0.45
602.8826294	0.87
604.4017944	0.05
608.1572266	0.21
611.2427979	100.00
612.8305054	0.10
633.4373169	0.18
646.2239380	0.77
663.2968750	0.09
671.3264771	0.18
691.0410156	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	479.1179
Annotation	Pedaliin
Peak:m/z	Relative Intensity
151.0368347	0.37
171.7786865	1.07
311.7020874	0.93
315.8725281	0.69
317.1363220	100.00
329.9566650	0.22
341.3699951	0.45
345.1279602	2.40
390.5690613	0.36
396.6683044	0.18
414.8910828	0.36
433.3440857	0.24
438.1972351	0.85
443.2452698	0.63
461.1614075	2.64
470.2765198	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	525.1206
Annotation	Ascorbalamic acid
Peak:m/z	Relative Intensity
155.8757935	0.09
157.9327545	3.32
171.9994659	0.25
181.9845276	0.22
187.8282928	0.64
199.9376984	1.40
202.0584106	8.06
218.0188599	1.51
219.1009369	0.48
243.9995422	1.41
262.0065308	100.00
265.0190735	0.08
336.1478271	0.28
367.3309326	0.50
377.0762939	0.57
479.1357422	0.77
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1038.6732
Annotation	Unknow
Peak:m/z	Relative Intensity
621.7730713	0.54
965.4998779	0.59
978.3015137	0.09
994.1960449	0.38
999.1568604	2.01
1013.4387210	1.21
1101.9484860	0.84
1122.9573970	0.41
1137.3454590	0.78
1200.4554440	0.10
1205.3120120	3.59
1206.2326660	0.30
1242.6481930	0.29
1248.5964360	1.08
1250.1828610	0.15
1529.8077390	0.19
1631.6141360	0.06
1686.8952640	0.06
1761.0653080	0.28
1781.5017090	0.69
1824.0637210	0.08
1832.5607910	0.13
1841.8060300	0.24
1863.7596440	0.18
1867.2351070	0.94
1869.7487790	0.13
1873.5762940	0.23
1875.9718020	0.48
1882.7399900	0.59
1898.7501220	0.60
1907.8039550	0.12
1910.5002440	0.11
1916.9378660	0.86
1918.7408450	0.43
1922.0085450	0.33
1935.6624760	0.26
1937.1223140	9.22
1946.0926510	0.49
1949.0054930	0.51
1953.9974370	0.35
1955.6003420	0.04
1957.5687260	0.10
1959.1461180	0.64
1963.3319090	3.08
1965.9484860	1.88
1966.9200440	0.09
1970.0418700	0.14
1977.3743900	0.19
1978.3508300	1.46
1979.0357670	0.58
1983.1774900	0.10
1984.6013180	5.50
1987.4476320	100.00
1988.6136470	0.54
1990.9200440	0.58
1993.3907470	16.60
1995.4219970	0.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	893.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
381.2816772	0.23
538.9727173	1.61
690.5411987	2.58
755.0468750	0.83
764.3048706	0.70
837.5040894	0.25
858.2879028	0.21
876.7141113	1.07
967.0124512	0.90
1005.1218260	0.65
1135.7421880	0.45
1144.6257320	0.15
1153.2239990	0.32
1188.5616460	1.20
1209.7628170	0.22
1238.3000490	2.56
1391.7247310	0.45
1652.5972900	0.44
1776.4029540	0.31
1778.9310300	3.30
1782.2028810	0.18
1823.7318120	0.32
1824.6866460	4.23
1829.1817630	0.13
1830.6950680	0.16
1831.8957520	9.26
1837.9158940	0.32
1838.5355220	0.18
1846.6369630	0.48
1848.2736820	35.88
1851.5552980	0.22
1856.8060300	0.44
1863.1629640	0.42
1868.8023680	1.03
1869.9918210	0.29
1871.8292240	0.64
1874.7330320	0.27
1884.9635010	5.06
1886.3392330	1.85
1887.4591060	8.15
1889.2672120	0.22
1894.5208740	0.20
1901.1331790	0.72
1901.8314210	0.30
1903.8560790	1.68
1905.8057860	1.50
1912.1292720	0.28
1916.9997560	0.30
1919.3863530	1.06
1927.1409910	0.26
1928.0894780	0.20
1929.2365720	1.25
1931.3962400	0.48
1934.0579830	0.90
1935.5769040	0.49
1936.2174070	0.23
1939.5045170	0.23
1956.3015140	1.96
1957.5347900	0.67
1958.1492920	4.38
1958.7530520	0.20
1959.6159670	1.34
1960.9050290	1.20
1962.9996340	1.62
1963.9727780	0.28
1965.2629390	2.16
1970.2678220	100.00
1971.7669680	8.02
1972.8477780	0.46
1976.6822510	1.81
1978.5017090	0.33
1980.1364750	11.11
1980.7650150	2.96
1985.7858890	70.97
1988.0689700	3.68
1988.8288570	0.30
1990.9149170	0.38
1992.3020020	15.45
1992.9256590	5.48
1994.1097410	0.41
1997.6075440	5.30
1999.3820800	0.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	480.3075
Annotation	1-18:1-lysoPE
Peak:m/z	Relative Intensity
164.7360229	0.34
253.3443604	0.52
265.3671265	0.43
279.3946228	0.20
308.4914551	0.76
321.3821106	0.51
339.2823486	61.78
357.277771	0.80
382.7010803	0.21
419.1154175	6.23
431.4293213	0.17
435.4622498	0.36
437.3520813	0.21
462.2984009	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	782.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
223.2566681	0.07
226.2196960	0.08
231.1407471	0.06
231.8029785	0.25
234.3674469	0.13
241.1223755	0.56
241.9182129	0.06
243.2749023	0.13
250.2672424	0.08
257.6672668	0.11
259.1761780	1.32
260.0850525	0.39
266.2011719	0.29
267.1492615	0.13
272.0303040	0.29
273.1526794	0.31
283.3754883	0.22
290.2712708	0.61
294.0830688	0.13
296.9509888	0.28
297.9391785	0.11
308.1692200	0.30
309.1441040	1.30
309.7635498	0.28
314.2214966	0.32
316.0899963	0.46
319.5216980	0.50
321.0093994	0.10
324.2113037	0.28
325.6329041	0.26
328.3842163	0.39
329.4172974	0.33
337.2803345	0.76
339.3502197	0.10
344.3657837	0.29
347.3981934	0.08
351.0974121	0.15
352.3828125	0.18
354.6510925	0.32
357.3163452	0.10
358.4076538	0.10
360.1686707	1.26
361.1304932	0.15
366.3709106	0.20
372.1338501	1.48
374.2120056	1.78
375.2020264	0.12
379.1122437	0.11
381.3424683	0.49
383.4830933	0.12
385.1333618	0.29
386.4486694	0.19
391.3465576	4.68
392.3931274	1.04
393.3543701	0.14
395.3248901	0.16
396.3580322	0.11
397.2550049	0.17
398.4310303	0.09
403.3119507	0.30
407.0609741	0.12
413.2224731	0.72
414.9610596	0.26
416.2444458	0.13
417.5724487	0.10
420.0515137	0.07
423.1539917	0.60
424.6362305	0.81
425.4039307	0.43
426.6083984	0.86
427.3551025	0.38
428.2958374	0.53
429.4526367	0.17
433.3197632	0.10
436.3491821	0.19
437.4157715	0.21
438.3741455	0.66
439.2550659	0.24
440.3084717	0.25
441.5388794	0.62
443.0096436	0.64
444.2251587	0.18
445.1076660	0.30
446.2194824	0.79
446.9001465	0.10
450.3129883	0.35
451.5615845	0.47
453.1456299	0.26
455.4553223	0.75
458.4165649	0.48
460.7860718	0.08
461.4421387	0.30
462.2558594	0.53
465.5403442	0.53
466.4027710	0.32
467.3795776	0.27
468.0645752	0.45
469.3511353	0.48
470.1744385	0.30
471.2625732	0.09
472.5082397	0.38
473.5631104	0.70
474.4485474	0.66
476.8033447	0.49
477.5039062	0.27
478.2318115	0.34
479.3700562	0.18
481.6623535	0.17
483.5654907	0.25
485.4509277	0.70
487.4384155	0.63
489.1907349	0.30
490.3186646	11.24
491.4790649	4.39
492.5028076	0.97
493.3807373	0.81
494.9628906	0.20
496.0697632	0.69
496.8350830	0.65
503.0439453	0.22
504.4223633	0.90
505.2575684	0.24
506.1181641	0.43
509.4784546	0.35
510.4435425	0.06
511.7990723	1.96
512.9804077	0.34
514.5594482	0.17
515.6564941	0.54
517.1210938	2.23
520.3724976	0.29
522.4809570	0.17
524.3938599	1.16
525.7310181	3.14
526.3406982	4.02
527.1351929	1.63
527.8638916	0.47
529.4598389	0.31
530.3131104	0.20
531.4534912	0.09
533.2805176	0.31
535.4335327	0.32
537.5203857	0.42
540.0334473	0.22
542.5521240	1.20
543.4282227	0.37
544.4729004	0.22
545.7271729	0.16
547.3491211	1.19
548.1005249	0.81
549.5388184	0.14
552.3269043	0.22
553.3052979	1.70
554.1047363	0.77
555.2719116	0.64
555.9483032	0.07
557.4301147	0.82
559.0434570	0.53
560.2916260	1.23
561.7523804	6.57
562.5272827	0.83
565.2325439	1.99
565.8345337	0.20
567.6422729	0.83
570.1273804	1.40
571.6550293	0.35
572.7803345	0.20
573.4041138	0.30
575.7479858	0.24
576.4652710	0.71
579.3283081	0.27
581.1375122	0.13
581.7649536	0.10
582.8253784	0.22
584.1803589	1.89
585.5874634	0.16
586.2780151	0.25
587.6894531	0.21
590.3976440	0.23
591.4616089	0.29
592.8803101	2.69
593.8198853	0.33
595.5581665	4.58
596.6004639	2.96
597.3915405	0.27
599.9194946	0.54
601.4215088	4.86
602.1702271	3.14
603.8031616	0.72
604.4606323	0.18
605.8984985	0.55
606.5302124	0.33
607.9485474	0.56
609.5581665	1.24
610.4071655	0.88
612.2387695	0.85
613.4323730	0.13
614.6011353	0.33
615.6417847	0.32
616.4756470	1.47
617.2970581	0.40
618.5523071	2.78
619.4967041	17.33
620.4954224	8.29
621.4648438	1.83
622.5599365	0.11
623.2423706	0.35
626.0525513	6.62
626.7936401	1.48
629.4192505	2.38
630.6205444	0.69
631.5217896	0.67
632.4575195	0.28
633.8442993	1.02
635.0583496	2.48
635.9522095	1.86
637.1844482	0.60
638.2965698	0.50
639.1354370	2.71
644.5126343	0.42
645.5205688	0.37
648.3956909	2.34
649.2471313	1.38
650.0205078	0.72
651.1148682	0.94
651.7921143	0.12
652.9671021	1.14
654.3254395	2.55
655.2828979	0.33
656.6913452	3.08
657.4009399	5.61
658.1224976	2.64
659.8396606	2.30
661.0311890	0.70
662.0919800	1.99
663.0570679	2.95
663.9888916	0.61
664.6419067	0.20
665.7479248	0.59
666.5731812	1.36
667.2825317	0.69
668.0574951	0.39
669.5665894	0.69
670.4819946	1.27
671.3108521	0.59
672.7289429	1.22
673.8764648	1.38
675.0245972	1.03
675.8245239	0.97
676.6420288	2.29
677.5042114	0.61
678.1770020	0.08
679.0044556	0.07
680.5164185	0.32
681.3997192	2.03
682.3064575	0.11
683.2511597	3.09
684.7650757	1.44
685.6264038	4.85
686.6842651	1.32
687.7794800	2.58
689.7761841	6.37
690.4779053	20.85
691.2839966	7.92
691.9538574	5.88
693.3058472	2.29
694.1984253	1.92
695.5024414	1.56
696.3218994	0.66
697.4788818	2.76
698.6137085	0.84
700.2822876	12.87
701.0347290	0.99
703.1169434	2.59
704.0848999	0.56
705.9747925	5.37
707.1681519	1.59
708.0161743	0.37
708.6378174	0.38
709.3739014	0.10
710.1298218	1.16
711.0016479	0.85
712.0975342	7.18
713.3213501	2.45
714.9484253	0.52
715.7792969	1.08
716.8509521	2.17
717.5805054	2.68
718.4215088	2.76
719.1140747	0.62
720.7866211	1.00
722.0618286	3.09
723.1647339	2.15
724.2542114	1.10
725.5896606	2.28
726.2373047	2.21
727.7426758	0.84
728.8630981	3.11
729.6717529	2.45
731.0153198	4.50
731.9528198	7.45
733.3038940	3.89
734.6330566	1.87
735.4654541	1.66
737.0294800	1.73
737.8648682	0.19
738.7257690	7.81
739.7387695	32.64
740.6902466	5.88
741.5042725	1.14
743.1185913	5.00
744.4304199	3.39
745.6561279	3.89
746.7372437	1.97
747.7180176	0.54
749.2131958	10.97
750.2059937	7.92
751.0971680	0.09
751.9370728	0.55
753.0130005	0.63
754.2431030	4.52
755.3007812	20.85
756.1027832	4.02
757.5070190	2.09
759.0589600	2.83
759.8189087	1.40
760.8318481	2.19
761.7584229	0.32
762.7614136	1.39
763.5330200	1.98
764.3980103	1.39
765.2327271	0.72
766.2225342	4.35
767.2672729	20.64
769.1612549	10.19
770.2431030	2.15
771.7355347	6.95
772.4266968	7.27
773.8030396	46.00
775.2684937	1.13
775.9996948	0.27
777.6318359	2.11
779.4436646	0.59
785.3505249	0.30
786.0757446	0.49
787.6095581	0.27
788.8767090	1.75
790.5000610	0.97
795.1671753	2.65
796.7319946	8.41
797.4673462	3.58
799.5263062	0.45
800.3873291	1.96
801.4923706	9.56
802.3043823	1.15
803.9525146	1.85
805.2809448	0.26
807.0930786	8.73
808.0212402	3.42
808.6736450	0.04
810.0712891	1.15
810.9196777	0.97
811.6058350	0.11
813.2610474	7.34
814.4847412	5.31
815.6731567	3.14
816.7659302	0.81
817.6892700	0.99
818.3693237	0.26
822.0599365	1.90
823.0177612	0.41
824.9990845	17.45
825.7489014	7.25
826.6968384	1.71
827.6422729	4.12
828.7427368	1.09
829.6286011	0.30
830.9700317	11.92
831.7617188	2.06
833.5388794	0.06
834.4419556	0.38
835.3358154	0.72
836.9753418	10.04
837.8256226	2.72
839.7870483	0.69
841.1090088	0.08
842.6534424	9.94
843.3035889	5.26
844.0250244	1.19
844.9795532	0.09
846.7731323	1.84
847.5640259	0.18
848.6660767	0.64
849.7756958	0.07
850.9043579	0.72
852.6447144	4.04
853.6158447	1.33
854.7885742	1.24
856.0807495	0.65
857.2551270	0.45
859.7094116	0.68
861.4938354	2.25
862.3871460	0.77
864.4533081	17.75
865.5923462	13.19
866.7120972	2.86
867.6433716	1.99
868.2654419	2.40
869.0250854	1.04
870.7185669	1.17
872.1350708	1.41
873.0336304	1.45
874.1029053	9.24
875.0924683	3.09
875.8839111	2.07
877.4628906	0.84
878.4490967	1.48
879.9578247	19.82
880.7797241	4.39
881.8203735	1.28
882.6309204	0.29
885.6924438	7.50
886.7405396	2.65
888.0884399	2.67
889.3752441	1.09
892.7836304	5.98
893.7604370	2.26
894.9602051	3.53
896.2485962	1.20
897.4123535	0.18
898.3648071	1.60
899.1232300	0.78
901.3798218	6.30
902.1943359	6.54
903.1644897	2.25
903.8534546	1.05
906.9917603	2.75
908.2047729	5.70
908.8598022	0.32
911.1801147	1.16
912.5065918	2.23
913.5001831	12.63
914.3862305	3.15
915.3071289	0.43
916.4689331	0.51
917.2573853	1.06
918.2186890	0.69
919.4158325	10.81
920.5576172	3.05
921.5703125	1.35
923.4036255	0.23
924.5742798	0.74
926.3982544	0.75
927.5453491	0.35
929.0065308	0.53
930.3974609	2.23
931.2687378	2.62
932.4168091	0.18
934.2676392	0.75
936.1079102	1.42
936.8440552	0.91
937.6858521	0.36
939.0632324	5.42
939.9956665	2.95
940.9522095	1.99
941.6274414	0.43
943.2195435	2.90
944.2514648	1.49
945.3977661	0.62
946.6422729	7.98
947.4279785	2.99
948.5397339	0.71
949.9226685	1.88
951.0741577	3.66
951.8620605	0.27
952.7434082	2.00
953.3864746	1.57
954.7849121	0.76
956.2099609	3.86
957.4424438	2.87
958.3917847	2.67
959.4880981	2.18
960.3477173	0.99
961.4201660	1.07
962.7736206	5.92
963.6670532	2.40
964.5883789	1.73
965.5267944	0.14
968.3753052	0.78
971.5039062	0.99
972.5207520	0.98
973.4015503	2.21
974.4581909	1.31
975.6813965	2.57
976.6418457	1.54
977.7590332	0.08
978.8127441	4.59
979.8693848	1.73
980.7106934	2.01
981.5304565	0.62
982.8491211	0.36
985.1748047	9.53
986.1633911	2.63
987.3739624	1.54
988.8446655	1.95
990.6025391	1.14
991.8670044	1.06
993.5674438	15.76
994.7166138	14.36
995.5412598	5.02
996.3923340	2.99
997.6306152	0.22
999.3520508	1.00
1001.8466190	0.43
1002.5701290	0.11
1003.4453120	4.18
1004.2629390	0.89
1005.6564940	2.25
1006.8607790	1.04
1007.5327150	1.72
1008.4739380	1.33
1009.5485840	0.61
1010.2383420	0.14
1011.4352420	0.64
1012.3895870	0.06
1013.7688600	0.66
1015.1081540	1.21
1016.4981080	0.28
1017.6311650	0.12
1018.4197390	0.84
1019.4258420	0.28
1020.6247560	0.50
1021.5597530	1.76
1022.8630370	0.93
1023.5482790	0.40
1024.5991210	2.19
1026.6533200	0.09
1030.4881590	3.14
1031.3812260	2.27
1032.0218510	0.07
1033.6777340	0.29
1034.6384280	0.63
1038.7020260	6.50
1039.4633790	5.10
1040.3994140	2.70
1041.3481450	0.60
1043.5466310	1.17
1044.4792480	0.23
1046.6240230	0.34
1048.8992920	0.19
1049.5673830	0.47
1050.5024410	1.53
1051.9791260	1.27
1052.6949460	0.19
1054.5162350	0.33
1055.2846680	0.31
1057.1873780	0.83
1058.2559810	0.63
1059.5080570	1.04
1060.5581050	0.30
1062.7285160	0.06
1064.3428960	0.32
1067.5031740	4.12
1068.2822270	2.85
1069.2287600	0.41
1069.9938960	0.76
1075.5717770	0.61
1077.0410160	0.06
1079.0732420	0.05
1080.5955810	0.45
1081.3717040	0.71
1082.4278560	0.66
1083.9484860	0.35
1087.6207280	0.67
1090.8404540	0.43
1091.5546880	0.39
1093.5548100	0.22
1094.5927730	0.61
1104.2395020	0.96
1105.6051030	1.18
1107.0056150	2.13
1107.7314450	1.49
1108.4029540	0.63
1109.2773440	0.82
1109.9243160	0.56
1110.5627440	0.48
1114.3455810	0.48
1116.9337160	0.83
1118.8098140	0.91
1121.4641110	1.37
1122.6437990	7.68
1123.5476070	6.14
1124.7237550	3.74
1125.9713130	1.40
1129.5454100	0.21
1131.9288330	3.92
1132.8745120	2.72
1133.8038330	1.69
1134.5798340	0.20
1138.2412110	1.47
1142.2520750	0.61
1143.9339600	0.41
1144.7092290	0.19
1145.7211910	0.56
1153.3918460	1.33
1155.2657470	0.10
1157.8187260	0.30
1159.8149410	0.96
1160.6999510	1.13
1161.7657470	0.54
1163.3793950	0.08
1166.5991210	0.27
1169.8996580	0.45
1171.6578370	0.20
1175.6201170	2.41
1176.3798830	2.22
1177.2542720	0.33
1179.7014160	1.04
1185.1948240	0.35
1188.6430660	0.99
1197.2116700	0.35
1202.4656980	0.11
1205.4639890	0.32
1206.6862790	1.11
1207.6595460	0.44
1210.7047120	0.94
1213.6761470	0.24
1214.5871580	0.29
1215.6501460	0.37
1219.3029790	1.44
1220.7174070	0.42
1221.8870850	0.19
1223.6230470	3.75
1224.6209720	3.57
1225.6257320	0.69
1226.9345700	0.10
1230.8946530	0.30
1232.5517580	0.18
1236.5184330	0.19
1241.6910400	0.34
1245.8385010	0.78
1250.7821040	0.13
1255.1544190	0.92
1255.8240970	0.20
1257.4387210	0.20
1259.5069580	0.32
1264.0769040	0.61
1265.4202880	1.20
1269.7286380	0.12
1271.1187740	0.22
1281.8596190	0.32
1289.8114010	0.38
1290.8455810	0.33
1306.8000490	0.70
1310.3624270	0.36
1313.8684080	0.31
1319.4534910	1.70
1320.2919920	1.37
1324.6783450	3.69
1325.6881100	1.73
1326.8548580	1.50
1327.4565430	0.44
1333.0234380	0.13
1342.6848140	0.12
1344.6322020	0.26
1345.6246340	0.37
1347.6403810	0.64
1351.7177730	0.16
1352.7917480	0.21
1353.5462650	0.19
1359.6667480	0.33
1363.9259030	0.64
1365.5677490	0.10
1369.9241940	0.35
1380.6047360	0.35
1381.9238280	0.22
1383.0506590	0.06
1386.5384520	0.24
1388.7982180	0.94
1413.2435300	0.23
1423.6285400	0.24
1424.7435300	0.67
1426.6654050	0.31
1441.6610110	0.66
1446.8145750	0.28
1448.7506100	0.52
1459.4173580	0.26
1460.4512940	0.31
1463.0632320	0.12
1471.7220460	0.62
1476.0452880	0.77
1477.2891850	0.87
1477.9149170	3.08
1478.8885500	4.49
1479.6656490	0.82
1480.6276860	1.30
1519.7974850	0.15
1525.9602050	0.37
1533.1163330	0.09
1547.8442380	0.28
1555.3266600	0.47
1558.7608640	0.33
1563.7591550	0.37
1574.9857180	0.54
1577.1153560	0.52
1581.5559080	0.33
1622.4625240	0.20
1648.6029050	0.18
1650.6638180	0.38
1651.4987790	0.27
1681.0853270	0.49
1694.7097170	0.41
1696.0897220	0.14
1703.9266360	0.07
1720.8778080	2.11
1766.2386470	0.26
1769.7996830	0.09
1773.9112550	0.06
1790.4948730	1.92
1801.9265140	0.46
1815.0670170	0.30
1823.6159670	0.12
1832.0021970	0.13
1836.2088620	0.22
1839.9343260	10.94
1846.9713130	0.11
1849.7193600	0.30
1854.1190190	0.13
1862.2579350	2.01
1867.1209720	0.38
1868.3319090	0.17
1873.7938230	0.64
1883.9461670	3.16
1895.8975830	0.92
1896.8186040	0.48
1898.2476810	0.10
1899.3404540	0.22
1903.0936280	0.07
1904.6046140	0.25
1905.7398680	3.96
1909.6353760	0.29
1910.3355710	0.12
1914.8233640	1.31
1921.7244870	0.09
1922.7857670	0.42
1923.7899170	0.14
1926.8874510	0.32
1927.8311770	2.02
1932.6003420	0.33
1935.4014890	4.11
1938.3724370	1.00
1941.3482670	0.07
1944.3884280	0.29
1948.4704590	0.07
1951.9317630	0.10
1953.0505370	0.09
1956.7941890	3.46
1967.0939940	0.29
1970.3211670	0.31
1971.6408690	78.90
1973.2242430	26.14
1975.5208740	0.31
1977.1436770	0.75
1979.6429440	0.53
1980.9880370	0.75
1981.6077880	0.08
1985.0373540	2.25
1986.7789310	0.44
1988.1721190	0.32
1988.8109130	1.75
1990.7897950	0.12
1995.7784420	100.00
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
158.9422302	5.18
160.0782776	1.88
161.0581665	0.83
198.9870911	0.84
200.1532135	0.14
201.0614166	0.45
201.8437500	0.09
217.0661316	0.51
218.1196747	0.03
228.8964081	0.58
229.9885864	0.52
231.0637360	0.25
258.9671021	0.03
273.0162964	51.24
274.0273132	33.31
275.0850525	34.02
372.0966187	0.14
387.0135803	54.72
387.9534607	100.00
389.0050659	99.14
428.0447083	0.07
428.9770203	0.15
433.9682312	0.03
440.0100403	0.15
456.2976074	0.12
457.0462952	0.09
457.9352112	0.14
459.1719360	0.23
460.1437683	0.19
461.0500793	0.09
475.0414429	0.17
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	353.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
112.9349518	0.37
115.0585632	0.47
124.9760971	0.23
126.9648514	0.16
129.0915070	1.89
129.9210205	0.08
131.0354309	0.08
131.8819580	0.05
139.1687622	0.05
143.2519226	0.23
144.0550842	0.27
144.9847107	1.22
147.0310364	0.79
150.9085388	0.03
155.0827942	0.03
156.1928253	0.12
157.0641174	0.37
159.1437073	0.05
160.8303070	0.04
162.7957764	0.24
165.0813904	30.24
166.1842346	0.06
168.0498657	0.09
169.0630798	0.80
171.2330322	0.13
172.1618195	1.05
173.0050659	5.13
174.9663849	0.04
175.9767761	0.04
179.0163879	0.23
183.2111053	0.17
185.9932098	0.32
187.0814362	1.27
190.1157227	10.94
191.0252075	38.96
197.9229584	0.05
201.0199432	0.08
203.0977783	0.32
204.3483887	0.61
204.9841614	1.24
214.1340332	0.05
215.0147400	0.07
216.8917847	0.08
225.0630798	0.13
226.8756714	0.13
229.9029236	0.03
231.9658203	0.58
233.0930786	2.53
234.1060791	0.06
235.0151672	0.15
242.3397217	0.03
244.3359985	0.80
245.2107849	1.51
252.3509827	0.04
260.6853027	0.09
262.1030579	23.73
263.0903015	100.00
271.0765381	0.19
274.0656738	0.12
275.1045227	1.29
277.1350708	0.10
278.2040710	0.26
279.0438538	0.45
286.0860291	0.12
287.1882935	0.22
290.0276489	0.23
291.0956421	0.35
292.0799561	6.18
293.1787109	22.40
305.3156738	0.12
309.1834412	0.12
310.0724487	0.05
317.1763916	0.27
322.2789917	1.96
323.1003418	5.93
334.0220032	0.28
335.1047363	1.80
335.7572021	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	649.1
Annotation	Oxidized glutathione
Peak:m/z	Relative Intensity
183.0482178	0.67
194.9058075	0.22
197.0061646	0.27
207.0159912	0.31
209.0560303	0.99
209.9700012	0.09
213.1326599	0.37
214.8177948	0.23
217.1433716	0.15
220.9565277	0.14
223.0524445	0.98
225.0436249	0.49
234.0518799	0.19
235.1373901	3.97
237.1193085	0.65
241.2859497	0.19
246.0083618	0.09
247.0866089	0.07
248.2188568	0.09
252.1092834	7.03
254.1770325	0.60
255.0329895	0.06
256.9728394	0.05
264.0516357	0.51
265.2644043	0.09
266.0986328	2.00
269.1250000	0.62
272.1094360	1.34
286.1233521	0.18
288.0509033	0.43
292.1310425	3.01
298.0521240	0.04
299.9276428	0.11
300.9771729	0.99
304.1662903	2.05
306.1362305	4.80
307.2101440	0.26
310.1583862	21.58
310.9326782	0.05
320.0233154	0.09
324.1654663	0.24
326.3110352	0.08
338.0963135	4.02
342.1578979	100.00
344.1139526	64.15
344.7618408	0.22
349.0211182	0.17
357.9945679	0.18
360.9840698	0.13
367.3474731	0.07
376.0398560	47.03
399.1374512	1.87
401.2491455	0.55
415.4082642	0.09
430.2900391	0.47
433.2492065	0.11
438.7897949	0.54
463.1832275	0.23
502.2472534	2.51
504.8769531	0.17
512.1860352	0.10
520.1773682	45.03
530.0563354	0.10
542.3406372	0.42
543.1401978	0.27
547.4827271	0.10
548.2037354	0.17
556.2328491	0.59
565.1081543	0.65
571.9118652	0.09
574.3253784	0.24
583.2084351	0.09
584.9008789	0.06
585.7701416	0.09
586.9757690	0.14
602.9456787	0.07
610.9524536	0.18
613.1497192	1.44
614.1550903	0.34
615.8681641	0.06
619.6624146	0.18
631.2267456	39.10
632.2052002	0.39
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0852
Annotation	7-Methoxyflavone
Peak:m/z	Relative Intensity
82.6933136	0.21
92.10839844	0.04
95.96507263	0.04
103.0714111	0.10
104.0557709	0.11
104.85112	0.24
107.2589569	0.06
115.9082794	0.06
128.9563904	0.79
130.1203156	0.26
140.9450684	0.02
147.272171	0.08
148.0148773	0.03
151.0036469	10.15
152.0441742	2.15
154.1570282	0.15
157.1559753	0.08
165.1348419	0.37
166.9439545	0.24
169.0994415	0.27
170.1557465	0.04
171.1268463	0.22
179.1864471	0.28
180.2394562	0.05
181.1326752	0.12
182.1927948	0.06
183.2333679	0.03
183.9872894	0.03
185.1720123	0.44
185.925827	0.12
191.599884	0.08
194.102066	0.09
197.182785	0.41
198.2780304	0.13
199.2081146	0.20
209.0778046	0.18
210.4169464	0.06
211.2232208	0.03
225.0587463	0.72
226.2052155	0.25
226.955246	0.12
238.0797272	1.73
239.0975952	0.69
240.0916138	0.04
251.0145721	0.24
253.0866547	100.00
254.1529083	4.36
255.1924438	0.69
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
92.78704834	0.33
96.7149353	0.53
108.8287277	2.07
110.9617767	0.31
121.2134018	0.66
123.1132126	0.52
127.1226959	0.57
130.6609192	0.26
132.5979462	0.40
137.3725433	0.52
139.1444092	2.28
145.2197266	0.33
146.9485474	0.29
151.1793976	0.56
152.9136353	0.38
155.0675354	0.39
159.059967	0.40
162.2142944	0.59
165.0353241	0.91
168.9734955	1.70
173.1424866	0.28
180.791687	0.19
183.0186768	1.25
185.1240997	0.43
188.9113159	0.80
191.1509399	0.37
193.3065796	0.47
196.0011139	0.23
197.138916	3.72
199.2485657	0.62
203.1944275	1.59
207.0556641	0.23
209.4149475	0.33
211.123291	1.47
212.5281067	1.96
213.2245789	1.71
214.9745178	0.50
219.3215332	0.52
220.7572632	1.22
223.3059692	0.38
225.3455811	2.34
233.3203125	0.16
237.026886	2.96
239.1846924	4.04
241.1989746	0.87
243.2410278	1.45
246.6705017	0.66
251.1360168	3.20
253.2888184	1.34
254.2359619	0.61
261.2339478	5.08
262.0152588	0.25
263.4193115	0.33
268.9620056	0.62
270.1801147	0.84
279.2313843	100.00
280.2249146	1.20
281.265625	0.23
288.3753662	1.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
102.8137207	0.21
104.8562164	0.49
107.0121613	0.54
110.8556747	0.27
115.1442947	0.12
116.9108276	0.43
118.8780975	0.46
120.0770721	0.34
120.8730011	1.09
123.0411682	0.68
124.9109039	0.37
129.2749329	0.26
130.9943848	0.53
132.6324768	0.09
134.8675537	0.98
137.0256042	0.26
141.1148682	0.17
143.0055542	1.34
147.1605835	0.53
149.1031494	0.38
151.0438995	0.15
157.045105	1.09
159.0565033	0.94
169.0346222	2.41
170.8076782	0.91
173.133316	1.30
175.0188141	0.47
179.0569153	0.31
180.9532471	0.09
183.0059967	0.76
187.0627136	1.58
189.1323853	0.36
191.1196289	0.66
193.0240631	0.31
194.9448547	0.41
197.0663757	0.15
199.2584534	0.08
201.1718445	0.44
202.8840637	0.19
205.0693054	0.69
209.1429138	0.13
211.1008301	1.58
213.0713196	0.31
215.1226807	0.08
217.0384521	0.60
219.1633606	0.44
221.1993408	0.37
223.3635559	0.47
229.2526855	0.27
231.3146057	0.09
232.927948	0.10
239.7955017	0.33
241.136261	0.59
243.0616455	0.17
245.2792053	0.31
247.2515869	3.68
251.4001465	0.29
252.2301025	0.08
253.3986206	0.17
255.0628662	0.58
257.1827087	0.16
263.0679016	0.38
267.34729	0.50
269.0326843	0.31
270.7070312	0.36
275.040741	0.16
279.1925659	0.11
281.2418213	0.13
283.3658142	0.36
285.2460938	0.09
287.1871948	0.91
292.2617798	0.33
295.2478638	3.36
296.4515991	0.78
299.2808838	2.69
301.3890991	0.16
305.3326416	4.61
306.9803162	0.21
309.4347839	0.37
311.2784729	0.11
313.3397217	4.03
323.2371826	100.00
323.8839722	0.82
325.3200378	0.10
327.0813599	0.19
340.6200256	0.44
341.4047546	0.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2873
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
163.8575745	11.83
179.0076599	4.26
221.1949463	12.27
227.9525146	6.17
240.1185913	4.24
245.0557251	14.89
257.2575684	17.08
265.2458191	12.45
292.2006226	7.93
320.8366394	23.48
326.2235413	10.90
328.2794495	7.93
372.4558411	7.42
380.5174866	11.28
391.1515198	18.25
392.2606506	16.74
395.2068787	34.80
408.2731323	100.00
421.9604492	10.88
425.3830566	8.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	290.85
Annotation	gamma-Pentachlorocyclohexene
Peak:m/z	Relative Intensity
122.9127884	0.98
196.9187622	0.03
202.1813049	0.02
206.7883911	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	370.83
Annotation	Unknow
Peak:m/z	Relative Intensity
202.9425201	0.22
232.9996338	0.10
234.8760376	0.23
284.9990845	0.08
286.8720093	100.00
294.8458252	0.06
302.8358154	0.81
323.9556274	0.03
326.9682617	0.04
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	261.15
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
100.9064789	0.21
127.0968628	0.15
129.7007294	0.15
144.7734985	0.37
162.97435	0.87
164.9353485	0.31
175.0962677	0.29
179.2584686	0.87
181.17659	0.20
182.5563202	0.18
185.0898285	0.33
188.7817688	0.24
199.2545776	0.39
200.0220795	0.13
201.0747223	0.17
202.1819	0.24
203.010849	0.20
214.9751892	0.27
217.2025604	1.20
218.1222992	0.74
221.0221252	0.47
223.4150848	0.87
224.0448456	0.22
224.9323425	0.89
226.9125824	0.31
243.134903	100.00
244.1806488	0.66
245.167984	2.86
246.1725616	0.14
261.0097046	0.48
261.8378296	0.61
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	474.07
Annotation	Unknow
Peak:m/z	Relative Intensity
187.9894257	0.84
220.1654053	0.54
242.1754456	0.36
244.3380280	0.36
263.9246826	4.45
276.0141602	2.73
281.9077759	79.25
282.5230408	0.40
292.9397278	5.23
293.9351807	10.54
296.2765808	0.51
300.0820007	0.88
306.0079346	2.42
307.8849792	1.92
318.1199951	0.55
324.0343628	7.64
332.0213013	4.28
342.2897339	1.46
343.9325562	3.29
349.5083008	2.88
350.1378174	83.49
361.6395569	3.61
365.7017822	0.55
370.6559448	0.66
379.7854614	1.87
393.3136597	1.15
437.0918884	2.06
438.0434265	27.28
455.9701843	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	746.69
Annotation	Unknow
Peak:m/z	Relative Intensity
274.9827881	0.92
290.9245300	2.26
359.1683960	0.50
410.5023804	1.50
426.8897095	5.79
442.7015381	2.93
476.8178101	0.75
478.5817261	1.01
494.1494751	0.57
494.7617798	19.04
510.5368042	43.69
511.1998901	1.17
526.5917969	10.05
528.2468262	1.38
578.6329956	25.34
594.6029663	51.88
610.6522827	6.31
657.0335083	0.71
662.5050659	100.00
677.7957153	1.01
678.6321411	1.87
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	630.8777
Annotation	Unknow
Peak:m/z	Relative Intensity
199.1300507	0.13
200.8964386	0.05
217.1284790	0.05
245.2224579	0.08
248.2017975	0.07
273.0639038	1.22
274.0819702	0.05
275.7886047	0.04
289.0380249	4.32
386.4710693	0.18
387.0730591	1.87
400.8764648	0.04
402.9013062	16.71
403.5721436	0.23
470.8321533	0.11
501.0267334	0.87
514.8455811	0.38
516.9145508	100.00
538.1886597	0.05
541.0122681	0.05
557.0230103	0.26
584.6069946	0.24
585.2083740	0.14
601.9905396	0.12
611.4045410	0.09
613.2238770	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	668.77
Annotation	Unknow
Peak:m/z	Relative Intensity
248.9057007	1.92
264.8287964	6.46
265.4971924	0.13
280.9325867	0.41
295.3734741	0.07
332.7880859	8.29
348.7640991	14.43
364.6309814	1.91
380.8679199	0.16
415.2832642	0.11
416.7526855	24.03
432.5838623	21.48
448.4793091	0.45
449.0914917	0.26
500.0249634	5.30
500.6864014	69.89
516.6040649	26.02
532.4198608	0.94
581.8821411	0.50
584.4690552	100.00
585.2639160	0.35
600.3993530	2.79
626.0625610	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2501
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
99.02923584	0.12
107.1290283	0.34
109.1825638	0.28
110.7444916	0.15
117.0855331	0.35
121.1038971	1.62
123.1509857	0.22
126.7622528	0.10
128.9710388	0.52
130.97229	0.74
135.0776672	1.09
137.0645142	0.21
142.981781	1.32
147.0579834	0.21
149.2062073	0.28
151.1405487	0.59
151.9921265	0.06
153.1671753	0.06
156.9690552	0.83
158.9194641	0.19
161.2145844	0.35
163.0450592	0.53
165.0715027	0.21
167.122345	0.12
169.1221008	1.64
171.1839294	0.54
173.0417633	2.32
175.0250854	0.36
179.1602325	0.14
180.7759399	0.09
183.1296844	1.19
185.1112061	0.15
187.0226135	2.39
191.2130585	0.06
192.8712158	0.35
195.1260986	0.09
196.880127	0.41
201.1508942	0.47
203.2617798	0.09
205.0897369	0.72
207.165863	0.61
208.9502563	0.16
210.5772705	0.86
211.2109375	0.61
215.8573608	0.09
217.2492676	0.24
219.3124084	0.29
221.1850281	0.31
223.2037964	2.12
227.0242615	0.10
228.2365723	0.45
229.0291138	0.15
231.1125183	0.29
233.402832	0.06
234.6700439	0.20
236.947998	0.06
240.9456787	0.44
242.9120483	0.11
245.2380676	1.29
247.1689758	4.58
249.3649902	0.07
251.0834351	0.23
255.3288574	0.43
258.3857727	0.09
259.2897339	0.04
261.5513	0.12
270.5985718	0.45
271.3673096	0.34
273.1224365	0.45
277.1185303	0.25
280.2749023	0.15
280.9852905	0.09
282.3087158	0.14
283.6529846	0.23
285.3342896	0.29
287.2941284	0.60
295.2822876	1.82
296.2097473	0.11
297.3997803	0.40
298.2759094	0.09
299.2751465	2.41
300.5179749	0.32
303.2984619	0.55
305.2271729	5.30
310.3835754	0.08
313.3376465	2.95
321.2846069	0.40
323.2336426	100.00
323.9931641	0.73
326.0574341	0.33
340.1278992	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	324.2061
Annotation	Lysergic acid diethylamide
Peak:m/z	Relative Intensity
212.0298462	1.49
224.1848755	1.28
240.1722717	0.40
248.1352844	0.75
252.1061401	0.32
268.1228638	100.00
279.0809631	0.81
280.1516418	0.37
293.9157104	0.38
296.1647949	0.45
300.5776367	0.63
306.3563843	0.27
307.2393799	0.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	332.1331
Annotation	Ciprofloxacin
Peak:m/z	Relative Intensity
106.1281738	0.02
107.9460602	1.44
124.1194153	0.11
125.8635101	0.04
134.0661011	0.29
135.9920349	1.08
152.0774536	4.81
153.8745117	0.05
157.0172119	0.02
164.0593262	0.02
169.9816589	6.48
176.9764709	0.03
187.185791	0.02
194.1221161	0.05
222.9776917	0.02
236.0977478	0.02
252.8276062	0.05
254.3380127	0.04
259.8575439	0.01
266.3557434	0.01
267.9652405	0.01
278.0149231	0.08
281.2301025	0.05
284.094574	0.05
286.2297363	0.05
290.9477539	0.07
295.9777222	0.13
314.1422119	100.00
314.7593384	0.23
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	565.1923
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
160.9003754	0.21
179.8887634	0.04
188.9085083	0.74
203.0104065	0.05
206.0432434	0.06
207.0796814	0.88
241.3981476	0.03
251.1409302	0.08
257.3914185	0.13
262.0224609	0.06
277.2168579	1.29
278.3335571	0.07
287.1413574	1.03
297.4041138	0.06
299.3390503	0.06
309.4259033	0.58
312.0143433	0.11
313.2643433	0.12
323.0932617	0.52
324.3142700	0.83
327.2378540	60.31
339.1384888	100.00
339.8165894	0.21
342.5628052	0.05
351.2887573	0.14
353.6112671	0.04
355.9622803	2.58
356.8601685	21.02
357.5183716	0.61
375.1791382	0.10
395.4110718	0.10
402.0405884	0.13
429.4267578	0.04
443.3240967	0.06
445.2292480	0.19
446.9798584	0.10
449.3098755	0.09
450.3261108	0.11
463.5759277	0.11
467.2254028	0.15
479.2503662	0.32
489.2025757	0.11
501.9434204	0.17
505.0678711	1.60
505.6790161	0.05
506.9040527	0.05
517.9799805	1.52
518.9157715	2.06
521.0999146	0.28
527.0034790	0.24
534.9266968	0.14
536.0344849	0.08
545.9848633	0.07
547.1879272	0.12
549.2979126	0.08
565.9593506	0.20
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
84.82980347	0.32
91.04411316	0.35
92.86631775	0.22
94.93955231	0.92
97.05993652	0.66
98.83877563	0.22
100.5710526	0.10
109.006813	0.28
119.0701752	0.17
123.1502457	1.04
124.8880386	0.18
126.9825974	0.45
128.4618988	0.19
132.8852844	0.26
135.2407074	0.17
137.0236206	0.62
139.0066528	2.65
141.0374603	0.53
146.9489746	0.24
149.0384827	0.51
151.1025391	1.00
153.1295776	1.31
155.0385284	0.59
159.2892761	0.11
161.1540833	0.21
165.0945892	0.62
167.0942078	0.45
168.9593964	1.25
171.2289429	0.66
173.2036133	0.34
175.1516418	0.71
177.0653992	0.29
179.3548279	0.69
181.00177	1.22
182.9478149	1.71
185.3452606	1.08
187.1977539	0.51
189.3266602	0.25
191.1306763	0.30
193.0791321	0.39
195.090683	0.47
197.0462494	3.86
199.269104	1.47
201.0090942	0.15
203.0407104	1.08
209.0977173	0.77
210.0774231	0.36
210.9636536	2.67
213.1479187	1.86
214.6634827	0.11
219.3017273	0.13
221.181427	2.27
223.1808167	0.87
225.1362	4.71
226.3618469	0.08
227.2784119	0.72
229.252655	0.11
233.3132324	3.47
234.1317444	0.15
235.3780212	0.31
237.2175903	2.38
239.0757446	15.68
239.940918	0.12
241.3347778	1.31
242.5592957	0.40
243.2985535	2.71
251.1982117	4.40
253.1640625	1.11
255.1113281	2.36
256.0116272	0.17
257.1019897	1.87
261.2772217	5.90
263.2346802	0.26
264.290802	0.11
269.2748413	0.66
279.2392273	100.00
280.2226257	0.41
281.1610107	0.10
288.0291138	0.77
288.6625061	0.37
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
174.9210968	0.53
216.8551636	0.04
229.0761719	0.10
273.0119629	2.62
274.0985718	1.17
275.1134033	0.49
286.9390259	0.12
359.0329590	0.08
361.0397339	0.12
386.9597778	0.25
388.7774048	0.35
415.0067139	0.20
426.9667358	1.62
428.1651001	2.60
429.1833496	2.31
431.1038208	0.35
435.2090454	0.07
443.2365112	0.40
457.0335693	0.26
459.0191040	1.58
472.8357544	1.52
473.9909058	1.16
474.9652100	5.44
475.5916138	0.04
484.5675049	0.07
485.8460693	0.69
486.8710327	0.49
490.9992676	0.19
499.1255493	0.13
503.2698364	0.11
504.2495117	0.16
505.0859985	0.24
513.8697510	0.46
515.1801758	0.07
516.0414429	0.21
530.1334839	0.21
530.9948120	0.36
541.8128662	86.77
542.8425903	100.00
543.7341309	1.08
544.8662720	0.81
547.6281128	0.12
560.6557007	4.33
570.9199829	0.49
587.8461304	0.13
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	220.1
Annotation	4-(3-Indolyl)butane-1,2,3-triol
Peak:m/z	Relative Intensity
74.0498123	0.05
83.9734726	0.08
91.0188446	0.16
107.1805725	0.02
116.1288910	0.02
145.3468170	0.03
159.9708710	0.02
161.0333710	0.01
161.9615173	0.04
171.8870087	0.02
173.4942169	0.05
176.1165009	0.62
178.0372620	100.00
182.2177582	0.05
183.8714600	0.09
184.8480530	0.23
191.0601349	0.02
201.1311493	3.27
202.0507050	4.72
202.9819794	0.35
203.7217712	0.10
205.1132965	0.13
220.0033112	0.06
222.9659882	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	223.0612
Annotation	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone
Peak:m/z	Relative Intensity
107.0427246	0.02
117.0214386	0.03
119.1717529	0.02
120.7991943	0.06
129.2201538	0.01
132.9516754	0.07
147.0529327	2.39
149.0647125	2.96
161.0367279	0.04
164.0329285	100.00
165.1044159	0.03
178.4516144	1.62
179.0574036	20.76
180.1073151	0.04
187.1267395	0.06
194.6342010	0.09
203.1198425	0.02
205.0268402	0.15
205.7648010	0.03
206.7193909	0.01
207.9981384	26.58
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	762.67
Annotation	Unknow
Peak:m/z	Relative Intensity
274.9792480	0.50
290.9710083	3.24
292.5640564	1.08
358.8031616	1.67
426.7471313	4.13
432.2750244	1.17
442.5241699	1.32
510.4995728	15.09
526.6401367	34.02
532.8057251	2.06
534.8711548	0.54
542.4323120	2.76
592.1184692	1.38
594.5696411	29.86
596.4171753	2.55
610.2001343	12.53
610.8634644	8.73
626.7667847	3.58
649.2637939	0.92
656.4392700	1.64
660.5905151	0.46
675.7693481	1.67
678.3803101	100.00
679.1505737	4.34
694.7879028	5.33
739.6528320	0.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	289.18
Annotation	Tanzawaic acid E
Peak:m/z	Relative Intensity
125.1395035	0.31
136.9705505	0.24
144.8040924	0.15
155.1459503	0.39
158.9204712	0.19
163.0616302	1.46
171.1217957	0.34
174.771637	1.84
184.8261719	0.39
192.1276855	0.19
195.2524414	0.74
199.0839233	0.32
201.1321106	0.15
209.2243652	0.49
215.129425	0.19
227.4787598	0.62
245.0474243	3.46
245.7421265	1.66
251.8893738	0.69
252.7365723	2.35
253.4866028	0.22
254.12677	0.86
255.0582275	0.45
261.2620544	0.19
261.9135132	0.31
269.092041	0.57
271.1759644	100.00
273.2703857	1.04
274.9064941	0.69
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	339.072
Annotation	Sinapoyl-(S)-malate
Peak:m/z	Relative Intensity
115.0332794	0.72
132.9893188	2.07
142.8657379	0.25
164.161499	0.10
168.9312439	0.16
179.0685577	1.06
184.9557495	0.10
190.9317322	0.12
197.1545715	0.12
209.1434937	0.31
211.8744202	0.34
223.0694885	100.00
230.2442017	0.62
231.0116272	0.14
239.2546997	0.09
241.1566467	0.40
254.0579834	0.11
262.9241943	0.15
275.1514893	0.11
279.1560669	0.08
280.0524292	0.14
293.0280457	0.54
294.2922363	0.09
295.1978455	0.56
295.7993774	0.62
302.3921204	0.08
303.2006836	0.62
308.1046753	0.11
321.0789795	3.41
321.875824	0.16
324.2292786	0.33
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	286.0916
Annotation	Buchananine
Peak:m/z	Relative Intensity
121.9012375	0.04
123.9075470	100.00
124.6788330	0.05
144.2993774	0.02
145.0552063	0.29
162.6213379	0.07
189.1547241	0.06
190.0976410	0.05
225.2129517	0.04
231.8033752	0.03
243.2157593	0.08
248.6806335	0.07
253.3091431	0.08
267.2296143	0.14
268.0793457	0.06
271.5588379	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	320.0999
Annotation	S-Glutaryldihydrolipoamide
Peak:m/z	Relative Intensity
119.9855194	0.73
126.1070557	0.07
154.1789856	0.05
162.9336548	8.25
163.9201660	0.17
165.0476379	0.02
181.4444275	0.08
188.1163940	0.02
190.1436310	0.19
190.9625702	0.04
192.1241608	0.03
205.2397156	0.77
205.9975281	1.58
216.2454529	0.42
219.3226624	0.05
222.9772034	0.02
224.2769775	0.02
228.1123352	0.21
233.1554260	5.12
234.1740112	0.02
240.9536743	0.33
248.1268921	0.11
249.0142212	0.19
258.2071533	0.02
262.0997314	0.05
273.9419861	0.20
276.1278076	100.00
283.9313049	0.21
284.9463196	0.12
290.3524780	0.02
300.0371094	0.12
301.2518005	0.60
302.2232361	2.79
303.2086182	0.03
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
217.1098328	0.03
229.1101685	0.02
273.0585938	7.40
274.9664917	0.07
289.9082642	0.05
384.8341675	0.04
386.9322510	15.73
426.9956665	0.03
459.2216797	0.30
485.2576904	0.05
490.0621338	0.06
499.1595459	0.11
500.8813477	100.00
501.5986328	0.20
507.8932495	0.10
509.1164551	0.04
513.6931763	0.03
541.0421753	0.11
541.9061279	0.11
554.8412476	0.13
567.9260864	0.27
568.9285278	0.27
570.1751099	0.05
571.4476929	0.06
584.6485596	0.09
595.9617310	0.09
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	148.06
Annotation	3-Aminopentanedioate
Peak:m/z	Relative Intensity
84.0247955	0.89
101.9067993	17.01
129.9385834	100.00
130.9858856	2.40
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	587.03
Annotation	UDP-D-galactose(2-)
Peak:m/z	Relative Intensity
174.9683228	0.12
181.0189514	0.10
198.9906921	0.90
211.0486908	3.43
215.0681152	0.25
217.1366730	0.15
223.2808838	0.05
241.0742950	7.58
248.7504578	0.07
253.0191345	0.08
254.4541321	0.12
259.1038513	0.27
264.9696045	0.24
266.9993591	0.28
280.0849609	1.68
282.8703918	0.10
284.1825562	0.26
294.9783020	1.62
301.0413208	0.22
302.0084534	0.19
313.0688477	10.47
320.0337524	0.04
323.1687012	100.00
324.5892944	0.25
325.3266602	0.16
326.9593506	0.14
332.7571411	0.57
335.1174927	0.11
338.1455688	0.07
343.0925903	14.32
345.0926514	3.40
346.1579590	0.17
348.7360840	0.28
350.6271973	0.66
351.2388916	0.05
354.2562256	0.16
355.1134644	0.10
356.1599731	0.12
361.0793457	7.15
363.7513428	0.23
374.6570435	0.12
382.0701904	0.35
385.1768799	0.35
386.4133301	0.08
398.0991821	0.30
400.1461792	0.11
403.1821899	2.37
407.0903320	9.98
412.7177124	0.27
413.8721313	0.15
416.5770264	0.70
417.1975098	0.21
418.2452393	0.25
418.8518677	0.85
424.5195312	7.12
425.1688843	68.76
426.0206299	0.26
428.7553711	0.09
432.8740845	0.73
434.3839111	0.69
435.1713867	0.37
435.8824463	0.11
441.0359497	1.38
442.3462524	0.07
446.2531128	0.44
450.7857666	7.28
451.8223267	0.07
453.2527466	0.27
454.1047363	5.48
456.3798828	0.12
457.2667236	0.11
464.7418213	0.18
467.0391235	38.26
467.6999512	0.11
470.2689819	0.15
472.1829224	1.05
475.0701294	3.05
477.0628662	0.06
483.0000000	2.94
484.0788574	0.19
491.1052246	0.08
498.7315674	0.21
500.6119995	1.34
502.2562256	1.10
502.8627319	22.70
508.1531372	1.61
518.8259277	3.38
526.2200317	0.48
540.9504395	0.46
544.1001587	27.51
548.8717651	0.22
551.2002563	0.04
563.8688354	0.29
565.1882324	0.14
569.0620117	21.68
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	372.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
142.0396729	8.97
142.9501953	0.87
147.1964111	1.08
148.1307983	0.35
160.0016785	2.19
187.1367798	0.79
190.8973846	0.32
210.0004578	100.00
225.2962952	0.45
243.1219177	0.86
257.2238159	1.96
297.0539551	1.13
309.1665344	0.25
327.5585632	0.56
335.0147705	1.64
339.1646729	29.48
340.3163147	1.22
354.2934875	3.63
362.5229797	4.88
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2207
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
95.07835388	1.80
135.0847473	1.93
146.7296753	3.07
155.0301819	1.29
159.3790894	1.54
169.1011353	2.95
179.0944824	2.06
182.7449799	2.84
184.9578247	2.71
191.2391663	1.80
211.2237854	2.44
217.177124	3.47
233.32724	6.10
238.8588257	3.46
250.8595276	3.20
253.2583923	20.60
270.0032654	4.22
275.2934265	12.37
283.2241821	2.72
288.8220215	2.31
293.2016602	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	426.2878
Annotation	Prostaglandin E2 serinol amide
Peak:m/z	Relative Intensity
132.8500671	3.15
145.1914368	3.73
161.2625427	3.70
189.117218	3.55
194.8292694	8.17
195.9494781	5.86
224.2162323	1.95
243.8011475	1.61
257.3066406	4.50
264.9431763	2.32
268.4385376	3.69
269.2592163	2.67
281.3673401	7.95
284.3334045	3.56
288.0692749	8.54
292.5344238	3.02
295.3822021	3.02
296.2395325	4.32
300.2076721	4.39
302.3546753	2.14
311.4002991	7.40
317.0241394	4.04
319.1236877	5.14
321.4451904	2.09
327.1141052	2.80
332.0368042	2.97
334.339447	1.61
336.9242249	5.86
338.4542236	7.94
339.4605713	8.64
340.5645447	4.10
341.5221558	2.62
355.3424683	7.23
356.9922485	2.85
359.3213501	14.55
366.4266663	7.49
368.2829285	16.00
370.2899475	4.97
373.0474548	3.01
377.3939514	16.02
380.5429993	44.84
381.2642822	4.98
382.5053406	3.20
385.6329041	3.91
390.1001587	15.71
390.7744141	2.14
394.2333679	6.66
395.2289734	7.26
397.6854858	20.98
398.4310608	1.33
405.0705872	8.08
406.4805603	3.38
407.329071	15.73
408.26474	100.00
409.303833	32.03
411.081604	2.35
425.6737671	5.69
427.1759949	13.22
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	387.94
Annotation	Unknow
Peak:m/z	Relative Intensity
159.0188141	0.45
160.0060730	0.05
199.0220337	0.05
229.1319580	0.10
229.7799377	0.08
244.8452759	0.02
245.9402771	0.04
258.0360413	0.01
271.1567383	0.03
272.9793396	100.00
273.9628296	39.04
274.8901978	0.02
326.0264587	0.03
330.9187012	0.02
340.8165588	0.06
341.9784546	0.07
343.9630737	0.02
357.7295837	0.01
360.1556702	0.03
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	336.1071
Annotation	RD 01A7
Peak:m/z	Relative Intensity
107.2870941	0.26
112.6894608	0.55
116.7902298	0.68
128.0273132	0.32
137.1630859	0.51
144.9922485	1.21
145.9702911	0.92
160.0465698	35.83
161.2575073	0.63
169.0539856	0.59
214.1173401	0.96
222.9192810	0.32
227.2764587	0.41
228.3607178	0.20
240.5858459	0.59
245.8800964	0.56
255.0570984	1.04
257.1495361	0.63
261.7481995	1.17
267.8890991	0.29
276.2782593	0.73
286.1971436	0.65
290.0337524	0.63
293.3259888	0.49
294.9714661	0.22
298.1662598	0.30
300.8690186	1.65
304.0645752	100.00
305.1015015	17.02
308.2744751	0.36
317.8501587	2.07
319.0569458	0.53
322.3098755	1.26
326.9187927	0.91
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	308.0902
Annotation	Glutathione
Peak:m/z	Relative Intensity
116.0572739	0.87
117.1059341	0.53
117.9127655	0.60
130.0437927	0.48
131.3028564	0.10
132.2149963	0.06
143.9741211	1.32
145.0263672	1.28
145.9960022	2.52
146.8330994	0.05
148.2585144	0.07
150.8663635	0.11
152.9794922	0.04
161.9654999	12.02
163.0178375	11.06
164.0242004	24.10
179.0176849	54.52
180.0279236	55.07
180.9671631	100.00
200.0901794	0.05
203.1404114	0.27
204.7184143	0.17
205.9763184	0.13
207.0595093	0.04
215.0195618	0.06
216.3403015	0.30
217.0435791	0.69
233.0104675	5.02
233.9992371	12.56
235.1159363	21.30
245.0526123	0.14
245.9829712	0.50
247.0424500	1.52
262.3020935	0.11
273.1528625	2.22
274.1127930	1.71
275.0108032	0.23
290.3710022	0.37
291.1593323	7.47
292.1055603	9.85
293.1981201	1.66
300.6364136	0.12
301.2913208	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	668.69
Annotation	Unknow
Peak:m/z	Relative Intensity
321.0494995	0.13
321.9286194	0.17
364.6210938	0.39
385.2760620	0.29
404.1101074	0.37
423.0075684	0.29
429.0148315	0.18
430.7708130	0.19
432.7506104	1.00
442.8726807	0.15
448.7188110	1.07
465.1246948	0.94
489.2933350	0.24
496.4620972	0.16
500.6351318	4.80
506.9674683	0.13
513.2120972	0.09
514.5878296	0.29
516.5757446	9.57
519.4614868	0.11
529.6091919	0.07
532.3370972	2.56
533.0794678	0.36
576.8996582	0.09
583.0533447	0.33
584.6844482	100.00
600.4807739	10.93
601.1979370	0.22
608.3135376	0.25
608.9578247	0.07
610.7255859	0.15
621.5415649	0.23
622.2192993	0.23
650.5535278	0.27
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	538.2272
Annotation	Baenzigeroside A
Peak:m/z	Relative Intensity
160.9853363	0.06
175.2204742	0.58
179.1565857	0.48
187.1860504	0.11
193.0970612	0.79
198.9498291	0.29
205.2214661	0.26
207.2212219	0.06
216.9730835	0.59
234.7229919	0.13
248.3618469	0.42
279.2506714	0.75
287.0151062	0.23
291.3485107	0.13
299.3003845	0.35
309.4589233	0.26
311.2253418	19.89
323.1628418	12.19
325.4907837	0.59
329.1295776	4.05
334.9827881	0.07
341.0437622	25.69
348.2704468	0.08
358.9511719	16.70
366.5124512	0.15
406.2641602	0.14
408.1968384	0.49
418.1103516	0.32
424.3111572	0.26
425.2122192	0.26
425.9730225	0.24
429.0202026	0.29
433.4138184	0.20
442.0782471	0.10
455.3170776	0.24
455.9810181	0.26
461.8803711	0.08
472.7824097	2.01
473.6904297	0.91
488.4362183	0.13
489.5702515	0.20
491.0325317	1.35
493.1705933	0.12
494.0097656	0.12
496.0739136	0.47
499.8541870	0.58
502.8834839	100.00
503.6105347	0.95
505.0827637	0.45
516.8884888	0.10
519.9556274	0.65
520.6082153	0.13
521.2175903	0.81
529.2543335	0.44
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	520.026
Annotation	Unknow
Peak:m/z	Relative Intensity
195.0329132	0.07
197.9114075	0.03
207.9670410	0.05
210.9657288	0.09
223.8429108	0.04
254.1311188	0.03
259.0152588	0.09
291.2006836	0.06
345.0363159	0.08
357.2321777	0.06
358.2716064	0.05
390.3435059	0.16
393.1646118	0.05
422.1113892	100.00
434.1286621	0.20
436.0291748	0.11
438.1450195	0.05
439.7011719	0.11
440.7021484	0.05
474.1655273	0.12
475.2182617	0.14
476.2796631	0.17
482.0792847	0.10
483.1284790	0.02
484.2427368	0.15
496.8110962	0.07
501.5527954	0.19
503.4072876	0.17
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
113.9916382	14.88
134.2144165	3.27
149.023056	100.00
150.058609	40.60
166.8731384	12.10
167.9631348	10.73
228.1555481	6.82
244.2447205	2.68
247.5830688	7.78
260.08255	2.98
260.8947449	16.89
261.6233826	3.87
271.2248535	4.48
271.9995728	3.34
278.5385132	28.45
279.835083	62.11
302.2574768	8.72
315.524353	8.99
320.9306641	6.27
333.03302	3.87
356.2344666	38.82
362.5349426	23.83
373.9261475	18.06
382.2774353	5.69
393.0326538	6.28
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
95.0235748	0.33
125.0684814	0.25
134.7843628	0.27
163.0296631	0.31
227.4676514	0.75
236.0350952	1.01
237.2291870	0.77
238.3577576	1.48
239.1242065	0.22
241.9824219	100.00
247.3916016	0.55
258.8052368	0.77
259.7890625	17.16
260.4263000	0.16
265.3893433	1.80
266.8952026	1.50
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
107.101738	0.38
108.8118286	1.26
113.248909	0.17
117.0372543	0.14
120.9789047	1.08
128.9732208	0.10
135.0572052	1.03
136.9169159	0.67
143.0756836	0.76
146.8079834	0.51
149.1960449	1.43
151.0648193	0.60
152.8828125	0.40
157.1488037	0.59
158.9877319	0.28
161.06073	1.27
163.1905518	0.16
165.2874451	0.15
167.1217957	1.14
169.083313	0.59
172.8401947	0.13
174.7819214	0.56
176.857132	0.49
179.0649414	0.23
182.9719849	1.03
187.2129211	1.42
188.9900208	0.32
191.1057129	0.78
192.9619141	0.20
193.6730957	0.99
197.1801453	0.34
199.1315613	0.11
203.1074219	1.30
205.2510986	0.39
208.8207092	0.26
211.2420959	1.29
213.263855	0.61
217.1845398	2.03
219.1253662	0.22
220.9620972	0.38
222.8919373	0.32
224.1456604	0.29
227.1320801	1.46
231.1527405	1.84
236.0131836	0.19
237.3406067	0.45
242.8544312	0.18
245.2674866	2.90
247.2885437	4.86
252.1861267	0.38
252.8422241	0.48
253.7839355	0.21
255.1828613	1.07
257.1229553	0.24
258.9458618	0.45
263.9777832	0.61
267.1778259	0.24
269.2578735	0.39
271.1467896	0.35
279.3805542	0.63
280.5003357	0.47
281.2150269	0.79
282.0158691	0.43
283.1494141	0.70
285.2961121	1.01
287.4885864	0.90
293.2043152	1.12
295.3178406	1.06
295.9490662	0.22
297.288147	0.40
298.3475952	0.32
299.2856445	0.48
300.1347046	0.26
305.0640259	3.39
307.1273193	0.49
313.3237305	0.60
323.2305908	100.00
324.0505981	1.32
326.1357117	0.80
341.250885	1.19
342.4335632	0.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	523.2179
Annotation	Excavatolide D
Peak:m/z	Relative Intensity
149.0772095	0.06
159.1243286	0.06
161.1174774	0.31
161.8949585	0.11
165.0580750	0.68
173.0470886	0.12
178.0336609	0.05
179.0170288	0.18
181.0432739	0.06
187.0814362	0.19
191.0934906	0.14
193.1622925	0.05
206.4039307	0.04
273.2906494	0.09
281.5026855	0.07
283.1701050	0.27
299.1708069	0.76
303.3187256	0.09
305.1611938	0.13
308.9589844	0.25
313.1806030	0.85
314.3229980	0.56
315.2315063	0.16
317.1152344	0.04
325.4277954	0.13
327.3796997	0.07
328.2076416	0.21
329.3065186	5.35
330.2313843	0.34
331.1007690	0.11
332.2846069	0.26
333.2730713	0.14
343.1788330	5.02
343.9628296	0.17
346.4814453	0.26
347.3626709	6.77
348.4703979	0.19
355.2114868	0.17
361.2374268	100.00
362.3275146	0.42
362.9448242	0.31
375.0511475	0.05
385.1686401	0.24
389.0470581	0.12
394.1197510	0.04
403.3201294	0.11
406.2963867	0.04
415.0664673	0.17
423.2707520	0.05
424.9653931	0.07
425.9466553	0.09
429.2872314	0.36
431.8065186	0.06
438.6887207	0.11
441.2660522	0.13
447.3357544	0.15
449.2791748	0.14
454.7625732	0.65
458.5574341	0.24
471.2567749	0.16
474.8617554	0.04
475.5983276	0.16
476.5796509	0.15
478.4251099	0.14
479.3569336	0.09
485.2422485	0.16
486.7493286	0.18
491.3688965	0.14
493.3250732	2.26
494.3064575	0.35
505.1132202	2.55
505.9159546	0.31
508.5208130	0.08
516.2166138	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
94.81471252	0.98
97.13580322	2.64
123.1133118	1.03
135.1854248	2.46
138.9654236	1.44
142.9576111	2.61
144.8730469	0.77
153.0036621	2.14
155.1439209	0.64
163.152771	0.31
169.0964661	4.08
181.1885681	2.00
183.0113525	4.45
193.2325592	1.16
196.9757233	11.92
209.0512085	1.42
213.2950745	0.57
219.1841125	6.46
221.0671997	1.31
223.457428	2.95
224.9957581	1.40
227.3925171	2.17
237.1326904	3.58
239.2279663	9.07
256.9694824	2.47
261.2929688	7.35
268.2378845	0.52
270.2752686	2.74
279.2253113	100.00
280.0880127	1.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	489.192
Annotation	Unknow
Peak:m/z	Relative Intensity
147.0157471	6.63
150.4680176	1.32
183.7869720	0.47
225.9845886	1.27
246.0401917	1.04
263.9334412	8.39
280.2233887	1.43
297.1590881	0.54
316.1931152	0.78
342.8536682	0.57
355.6390381	2.31
356.9692993	0.35
360.1793213	100.00
378.1390076	94.35
389.1376953	0.35
391.0889282	0.92
414.2104797	1.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1006.15
Annotation	Unknow
Peak:m/z	Relative Intensity
330.7138367	0.15
359.4760132	0.09
389.4252319	0.20
421.0089111	0.21
425.2473145	0.19
449.0995483	0.07
542.6602783	0.13
560.4907227	0.11
574.9886475	0.48
614.7237549	0.10
653.7971802	0.36
654.8312988	0.28
696.4839478	0.10
719.4039307	0.69
783.3924561	0.14
793.6409912	0.14
806.4011230	0.17
810.2237549	0.17
821.5046387	0.34
848.5677490	0.20
861.6146240	0.20
871.5957031	0.30
882.9575195	0.32
898.7247314	0.30
940.4404297	2.27
948.3979492	1.61
954.2487793	0.43
960.9267578	0.31
961.8083496	0.77
965.4180908	1.18
969.3985596	1.61
971.3314209	5.15
972.3178711	0.35
974.0031738	9.11
978.0045166	1.43
978.9725342	0.41
980.0134277	1.53
981.5128174	2.02
982.6529541	0.25
984.6950684	0.68
985.9787598	1.55
987.7917480	5.02
989.0156250	0.66
989.7176514	4.37
990.3925781	1.94
991.9600830	1.99
993.5368652	2.17
995.7595215	0.73
1006.1882320	0.10
1017.6300050	0.80
1032.3033450	1.31
1040.6939700	0.35
1042.8709720	1.18
1045.4693600	0.72
1046.9638670	0.18
1047.6652830	1.44
1052.5773930	1.13
1054.5325930	0.42
1058.4313960	0.45
1070.5219730	1.17
1072.3247070	1.47
1075.6574710	1.54
1078.2951660	0.46
1080.3554690	1.33
1082.6870120	1.34
1085.4099120	2.05
1086.7043460	0.35
1087.9685060	1.52
1088.6446530	1.62
1092.8731690	1.26
1095.3542480	1.94
1096.7418210	2.04
1097.8115230	3.94
1099.9484860	1.94
1100.8273930	1.13
1101.8164060	0.94
1102.6429440	0.33
1105.4844970	0.75
1108.1826170	4.24
1109.2370610	0.86
1110.5441890	2.24
1111.2541500	1.83
1112.2999270	4.94
1114.2551270	4.78
1115.1857910	2.64
1115.8195800	0.14
1118.8781740	2.82
1119.9294430	0.56
1120.5891110	1.53
1121.9858400	0.32
1122.6865230	0.24
1125.1950680	1.86
1126.4371340	2.06
1127.4741210	3.27
1128.3730470	1.74
1130.0910640	1.90
1130.9138180	1.31
1131.8103030	4.32
1132.8560790	3.55
1133.6156010	3.07
1134.7050780	2.39
1135.4422610	1.58
1137.0701900	2.09
1138.0316160	1.91
1139.1392820	0.49
1140.0797120	2.99
1140.8388670	5.75
1143.1528320	3.61
1143.7673340	1.57
1144.7086180	2.78
1149.0524900	1.50
1149.7985840	3.10
1152.4318850	6.84
1153.6380620	0.49
1154.5781250	4.55
1156.1611330	5.72
1157.2351070	4.38
1158.9427490	1.49
1161.5720210	6.62
1162.3757320	1.71
1163.8908690	0.27
1172.9677730	0.79
1184.0638430	1.15
1185.4843750	0.57
1188.3436280	2.99
1189.5791020	1.52
1194.1701660	0.27
1196.7839360	0.62
1198.1718750	0.75
1199.7269290	1.66
1202.3096920	5.33
1214.6431880	3.25
1216.2235110	0.20
1218.9851070	2.19
1221.3254390	0.89
1222.6583250	1.69
1225.2275390	0.26
1227.1640620	2.19
1228.1878660	3.30
1230.5585940	0.15
1236.7703860	0.96
1241.6240230	2.00
1243.6236570	0.50
1252.2205810	0.41
1253.4233400	0.41
1255.5590820	3.10
1257.3583980	0.45
1261.3918460	2.45
1265.1380620	0.13
1268.0859380	0.96
1270.0489500	4.52
1273.2188720	1.86
1276.0364990	1.14
1277.1429440	0.89
1277.7691650	0.97
1280.0406490	0.12
1282.9853520	1.07
1284.0885010	2.87
1288.1558840	0.84
1293.9797360	1.06
1294.7102050	1.10
1297.6842040	0.42
1300.4776610	2.10
1302.9007570	0.70
1304.5303960	0.54
1306.8187260	0.83
1309.6558840	0.26
1311.6772460	1.04
1313.5594480	3.34
1314.6285400	0.29
1316.6921390	1.57
1319.7542720	1.97
1320.9418950	1.06
1325.0158690	3.02
1325.8416750	1.49
1326.4893800	1.45
1328.9133300	0.80
1329.8836670	3.11
1333.6578370	3.44
1334.6499020	1.83
1336.3603520	1.12
1337.9107670	2.93
1338.9971920	1.93
1341.4976810	5.59
1342.4659420	2.90
1344.5133060	1.22
1352.1126710	4.57
1352.9956050	2.33
1354.3048100	0.88
1355.5021970	3.68
1356.4256590	3.18
1357.8867190	1.45
1364.6555180	3.18
1366.3538820	2.53
1368.0678710	1.45
1389.1745610	1.08
1395.2495120	0.21
1398.1778560	0.61
1400.6827390	1.13
1417.2535400	0.23
1436.2523190	1.16
1452.9757080	2.45
1457.3492430	0.28
1461.0253910	0.24
1462.4543460	0.10
1471.7128910	1.01
1478.5499270	0.06
1486.3218990	0.63
1497.6712650	0.70
1508.1014400	0.29
1510.7420650	1.25
1523.6353760	1.55
1525.7943120	1.09
1528.5920410	1.62
1531.6085210	0.17
1552.6169430	0.77
1555.1820070	1.47
1561.1204830	0.61
1562.2065430	0.99
1576.1929930	0.10
1602.6822510	0.06
1610.7908940	0.17
1611.6813960	0.44
1618.9282230	1.21
1619.5775150	0.17
1641.0401610	0.25
1655.5648190	0.67
1659.9592290	0.15
1696.4538570	0.77
1709.3756100	0.73
1744.1976320	0.49
1745.0069580	0.15
1752.8186040	0.61
1759.4383540	0.73
1763.9371340	0.08
1787.0848390	0.45
1789.6384280	3.40
1792.6177980	0.09
1803.5543210	0.31
1824.5148930	0.71
1826.2801510	2.97
1829.9549560	0.17
1836.9080810	0.78
1840.1866460	0.23
1843.0772710	0.10
1848.6071780	0.15
1856.0632320	0.14
1867.1817630	0.19
1872.2745360	0.06
1876.4263920	0.08
1884.6536870	0.65
1889.3231200	0.60
1892.3851320	0.08
1896.3713380	0.22
1899.4998780	0.46
1904.9240720	0.14
1906.3116460	0.06
1909.3951420	0.65
1910.8900150	1.36
1914.3267820	0.19
1916.3934330	0.63
1919.0822750	0.23
1920.3089600	0.62
1922.4520260	0.43
1934.1907960	1.76
1936.5694580	0.12
1937.6564940	0.30
1938.3023680	0.88
1941.4642330	0.93
1943.9646000	0.30
1947.8499760	0.43
1952.7296140	0.17
1955.7106930	0.41
1956.9620360	2.11
1959.2316890	0.12
1961.1729740	0.37
1967.7556150	3.07
1970.9074710	0.17
1972.3719480	0.18
1973.4860840	0.68
1980.5964360	2.23
1981.4538570	3.76
1982.1081540	0.18
1984.9090580	100.00
1985.7086180	1.55
1988.2464600	0.23
1989.2286380	0.42
1989.8441160	0.21
1991.5037840	0.50
1993.3697510	2.19
1995.2424320	0.11
1996.3312990	0.10
1996.9620360	0.88
1998.2784420	0.84
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	478.292
Annotation	PE(18:2(9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
154.9875336	0.70
169.1424103	0.33
171.3500671	0.17
181.0515900	0.21
193.2526550	0.59
211.0191650	0.22
215.7382355	0.22
243.0435028	0.30
245.4519043	0.41
263.0184937	1.44
282.9317627	0.85
304.4854126	0.27
306.2357788	2.18
337.3399048	53.25
350.9957581	0.10
381.3403320	0.40
389.2274475	1.01
400.5695190	0.45
411.3332214	1.18
415.5602112	0.55
417.0841980	2.15
435.2718811	0.84
443.4500427	0.16
451.0580139	0.16
460.1865540	100.00
478.5341187	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	397.1154
Annotation	Cnidioside B
Peak:m/z	Relative Intensity
113.1287994	0.08
114.9402313	0.19
123.0605621	0.29
125.0333862	0.53
126.9219818	0.43
129.0758514	1.60
137.9114990	0.07
138.7604980	0.05
141.0525818	0.58
142.4122620	0.72
143.0230408	1.98
145.0478668	0.12
151.3113708	0.05
153.1179199	0.06
154.9712067	0.18
157.0173035	2.10
159.0812988	0.96
159.7041626	0.07
161.0179749	0.47
167.2418213	0.17
169.0386353	3.25
171.0841064	0.92
172.9964905	0.85
175.0575562	0.17
176.9110870	0.06
179.0210114	11.69
180.1675415	0.09
183.0520172	0.47
185.0931091	1.79
186.1485748	0.70
187.0359802	6.63
190.9938354	0.77
201.0444946	0.55
203.1558838	0.41
204.8852386	3.57
209.1365051	27.16
210.0509644	0.58
213.1209106	0.37
216.0552979	0.13
217.1157227	2.07
218.0824890	0.61
219.1414032	6.90
231.0577087	0.12
235.0231628	62.60
235.6679077	0.09
237.9096985	0.17
243.1658325	0.23
249.8788147	0.07
258.9946899	0.23
261.2881165	0.20
268.1604614	0.48
276.1563721	0.31
277.2726440	2.93
285.3999329	0.18
288.1676941	0.08
289.2378540	2.02
292.0377502	0.09
293.3178711	0.21
296.2123413	0.16
299.0831909	0.58
303.1537476	1.89
305.4793701	0.63
307.1039124	100.00
307.9960938	0.11
319.0484009	1.06
321.3795776	0.72
323.3118286	0.10
336.1049805	0.82
337.1569519	18.35
337.7646179	0.05
349.2808533	0.38
361.4083252	0.67
362.7805176	0.25
364.5860291	0.07
366.2298889	0.26
367.2886353	7.68
379.2071533	1.61
380.3359375	0.21
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	388.05
Annotation	Unknow
Peak:m/z	Relative Intensity
113.9125977	0.66
119.0035629	3.54
120.0177307	1.03
127.7337036	0.40
128.8050232	3.19
130.9971466	3.31
138.9614868	2.60
140.9446411	1.50
143.2426453	0.30
144.0959320	8.45
145.0352478	8.51
146.1678925	5.42
147.0899963	4.69
148.0369568	1.02
148.6380310	0.42
151.8742371	0.30
161.1543427	0.22
162.0387878	5.35
163.0943298	11.54
164.0802612	6.16
165.0242920	2.10
186.0897827	0.31
186.9072266	0.34
190.0811005	6.56
191.0144196	2.87
192.0932922	5.17
192.7080688	0.43
193.9543304	0.70
195.0605469	9.87
196.0577087	8.62
197.1952972	2.76
199.0592194	0.70
200.1142578	0.63
207.9538727	9.75
209.0817261	11.47
210.1213379	6.99
224.0608826	2.83
224.8985901	0.54
226.1354065	0.84
227.0699768	6.81
228.0540466	3.52
229.1316833	4.60
241.1786499	5.65
241.9219971	4.71
243.3930969	0.53
251.0917664	0.48
259.0487366	100.00
260.0643616	62.44
261.1502075	54.94
275.0411072	11.94
276.0800781	26.55
277.1232910	23.16
292.0537415	0.67
293.1979370	2.71
295.0993652	1.09
306.2260132	2.43
307.2116699	18.03
308.2098389	7.45
312.8792114	1.02
355.4596863	1.20
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2419
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
94.81468201	0.68
96.93688965	0.63
108.9643555	1.73
111.0314407	0.81
121.1370392	0.19
123.0029602	0.42
125.0776749	0.29
127.1077042	0.76
129.1759033	0.19
133.1646423	0.38
134.9661102	0.47
136.9266052	1.16
138.8464966	4.57
149.0176392	0.66
153.0029907	1.21
155.1647949	0.90
157.011734	1.04
165.0468597	0.21
171.1405029	0.57
178.9797821	0.71
180.9440002	0.24
183.0464783	0.91
184.9872589	0.48
187.3582001	0.40
188.95784	0.74
196.9868469	3.86
199.101593	0.49
203.0221863	1.12
209.1827087	1.19
210.996582	3.59
215.9748535	0.23
219.1469727	0.66
221.1885071	2.28
222.1383362	0.30
224.9862671	0.44
226.1905823	0.38
227.3937988	0.95
237.1141357	2.89
239.1679382	10.34
241.3170776	0.19
243.3295898	2.08
251.3665161	1.48
253.1114502	1.70
255.6886292	0.19
261.0638428	1.50
269.0662231	0.75
276.5152893	0.49
279.2359619	100.00
280.1434937	0.92
297.1787109	0.80
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	477.0645
Annotation	14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A
Peak:m/z	Relative Intensity
139.0213776	1.74
145.0250702	4.29
154.8139648	0.35
155.8937225	0.25
159.0052032	0.15
163.0339355	2.65
166.9532928	0.68
168.1869812	0.60
168.9373016	0.45
169.7567902	1.37
173.1111145	0.19
174.0799255	1.83
174.8587036	0.31
187.8092346	0.18
193.0301514	0.21
194.4780884	0.52
195.0799713	6.91
195.9632416	0.66
197.1352844	0.23
199.0874329	4.32
201.0701599	1.31
202.1285400	2.10
203.1776733	2.47
204.0750275	0.51
217.0626678	0.40
224.0759735	0.33
227.0891113	12.71
228.0139160	1.63
229.5311127	1.05
235.0712891	22.89
235.9968567	3.02
240.0367432	0.45
241.0211487	8.40
241.9497070	0.48
251.3131409	0.31
253.0377197	0.41
254.1001587	0.83
254.8507996	0.51
259.0965271	100.00
260.1039429	6.28
266.3182068	0.18
268.1027832	0.18
275.0374451	54.29
275.9867249	5.24
281.1468201	10.84
282.1425476	1.95
284.0065308	4.81
285.0268555	0.32
286.1424255	2.21
286.8774109	0.26
291.0226135	37.24
292.1386108	1.38
299.0442505	11.06
300.1034546	1.84
314.1532593	0.67
315.0564575	2.30
328.1378479	1.12
329.2174988	0.58
341.3211670	0.20
379.1031189	0.37
386.0868835	0.67
397.2105408	6.26
398.3285828	3.17
443.4093933	0.40
444.3025818	0.20
445.3439331	1.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	277.14
Annotation	alpha-CEHC
Peak:m/z	Relative Intensity
94.94442749	1.04
104.9917526	1.77
106.9620895	4.05
109.0270844	3.94
120.9069366	15.23
121.8336945	2.33
127.0402069	47.55
134.0038452	94.17
135.0539246	24.51
147.1056213	10.58
161.1580505	2.59
163.3038483	1.83
164.9116364	2.32
168.9115753	1.50
171.1799469	1.78
175.1656189	0.91
183.2474365	0.93
189.0573425	1.76
193.005188	1.14
195.2043762	1.42
197.3377075	2.01
200.7250977	3.26
204.1470337	1.83
205.1418762	16.19
209.2442322	2.22
211.1394043	1.11
215.5293884	1.83
219.2165833	2.59
231.2011719	4.08
233.1513672	100.00
235.2623901	10.63
236.0551758	0.83
241.2619324	1.50
241.8794556	6.61
243.3316345	0.83
247.1072693	2.34
249.2145386	6.51
257.0480042	6.45
259.2213135	31.51
261.1442871	0.83
262.1151733	3.46
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
100.9733047	0.76
106.7452698	0.42
109.0457535	1.27
113.2709961	0.46
127.029129	1.20
137.0021362	0.77
138.0486145	0.53
139.1271057	1.78
142.9873352	2.77
145.0371094	0.81
149.1407166	0.58
151.0329895	1.10
166.9117126	1.59
167.8953552	1.81
168.8843384	0.53
173.2734985	0.71
177.1582336	1.33
179.3381195	2.09
181.0918732	2.45
190.9888916	1.30
193.0316772	2.70
195.060791	3.22
196.8495483	2.22
198.9946136	0.50
201.3023071	1.39
209.0796204	2.22
211.0140686	1.94
213.3067017	0.47
215.0639954	1.20
223.2410278	2.68
225.089447	1.34
227.3050842	1.06
230.9128418	0.42
232.8580933	1.27
237.1871033	1.49
239.0571899	1.42
241.1291199	1.45
242.7759705	0.42
249.0236206	3.52
250.1925049	0.38
253.2153931	5.10
257.1094971	0.51
265.3683472	1.62
266.1920166	0.83
267.0560608	2.84
269.1415405	0.97
270.149231	0.63
274.3572998	0.50
275.3770752	4.15
282.9620972	1.32
290.760498	5.04
293.2153931	100.00
294.3279419	3.74
296.0397034	1.27
310.7431641	0.81
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	388.94
Annotation	Unknow
Peak:m/z	Relative Intensity
158.9546204	0.61
160.1492004	0.05
161.0102081	0.28
228.8783569	0.08
272.9772949	74.26
274.0018921	76.36
274.9515381	100.00
301.1018066	0.06
315.2088013	0.04
342.2232056	0.13
344.9548340	0.17
358.1709290	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	413.102
Annotation	(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]-(S)-alanine
Peak:m/z	Relative Intensity
164.1214905	0.36
175.1667480	0.12
182.9041748	0.11
195.0973816	15.42
205.1198120	100.00
277.2146606	0.46
292.0176392	0.43
292.9934692	0.06
293.9258423	0.17
307.9365234	0.10
315.6072998	0.12
319.1947937	0.25
321.9265137	0.20
324.1370239	0.11
349.8334961	0.27
359.2555847	0.08
366.2037659	14.34
366.9341736	87.56
367.5964050	0.31
368.8953552	0.46
374.8271790	0.20
376.8985291	0.18
381.6107178	0.09
393.3735657	0.17
395.2827148	0.39
399.0947266	0.11
413.2193909	0.16
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	368.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
119.8961716	0.44
120.8859863	0.04
125.8329010	0.02
130.9898682	0.03
135.9118958	0.03
151.2024078	0.01
157.2125854	0.01
160.3158569	0.01
163.0561523	4.56
164.0628357	0.49
165.0251465	0.08
176.9624023	0.01
181.1374054	0.03
184.0260315	0.01
185.0895691	0.02
186.9656677	0.02
189.0549316	0.08
190.1014099	0.43
191.0583801	0.02
193.2560730	0.01
200.9468384	0.02
204.0878296	0.01
206.0262299	0.86
207.2391968	0.11
209.8077087	0.01
215.3841248	0.01
217.1045837	0.01
218.7194214	0.01
221.0618286	0.05
222.9485779	0.02
225.9915161	0.01
232.2400513	0.16
233.0425720	1.61
234.2428894	0.16
238.1548157	0.11
239.3622742	0.04
240.2000427	0.08
241.4406433	0.01
253.2428284	0.57
254.1896667	0.26
255.1710510	0.04
257.1821594	0.01
260.0639343	0.01
263.4253845	0.03
264.0361633	0.13
265.3103943	0.03
274.1315308	0.01
275.0457153	0.02
277.2325439	0.02
278.2269592	0.01
279.0922852	0.03
281.1796570	3.74
282.2744446	1.07
289.5242310	0.01
296.0900574	0.05
296.9621582	0.05
297.8350220	0.07
306.2906799	0.11
307.3686829	0.03
308.4046326	0.03
309.0747681	0.01
324.2064819	100.00
325.1729126	31.24
326.2268372	0.02
327.0292358	0.03
332.2194824	0.01
333.1360168	0.10
335.3442688	0.03
338.8554688	0.06
340.8796692	0.03
342.2210693	0.01
348.7820129	0.02
350.1744385	1.04
351.2338257	0.48
352.0730591	0.05
354.1106873	0.02
360.0799255	0.03
369.0493164	0.02
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	447.0529
Annotation	Glucobrassicin
Peak:m/z	Relative Intensity
128.9390869	0.91
143.0990295	0.62
144.0561523	0.63
144.7220154	2.42
150.9336395	0.95
161.1031036	0.62
163.1412506	2.63
168.8273010	0.60
170.9902039	1.73
172.1683350	2.91
188.0441284	0.88
194.9732971	5.02
205.0964966	12.56
211.1532288	0.64
223.9729004	1.54
227.0662842	12.10
235.0395050	1.34
241.1428833	3.58
251.0627441	18.78
254.0476379	4.72
256.2688599	0.65
259.0397949	100.00
269.1072388	20.39
275.0778198	57.02
284.8177490	1.53
291.1362610	23.78
328.3476562	1.25
365.3321838	0.70
367.1054077	14.89
368.0892029	3.56
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
98.43742371	0.11
105.1018372	0.18
107.0233231	0.68
108.9692841	1.19
110.911026	0.40
120.9650421	0.72
123.0982056	1.05
125.2600632	0.08
130.7963867	0.39
133.0846863	0.15
135.0263977	1.96
137.0555115	0.06
140.8782349	0.23
143.9668121	0.16
144.8039703	0.27
146.9385071	1.30
149.1547241	1.15
151.0696411	0.50
155.1239624	0.32
156.9517212	0.95
158.9051819	0.58
160.1584473	0.14
161.0325928	0.94
162.953949	0.77
165.2193298	0.31
166.1304626	0.16
167.2380676	0.22
168.9268188	0.71
171.0882263	0.09
173.1372223	0.96
175.0971832	1.63
177.1777954	0.46
181.1131592	0.09
183.0980072	0.28
185.1244354	0.20
187.025238	0.98
188.2150269	0.24
189.170105	0.94
191.1716461	0.47
193.2072144	0.27
195.329071	0.16
197.0784607	0.54
199.0339966	0.17
201.19841	0.07
203.0263672	0.92
205.099884	0.60
207.2692719	0.25
209.29953	0.21
211.0541077	0.82
213.2305908	0.45
215.1808472	0.11
217.1724548	2.08
221.322937	0.08
223.2994995	0.37
225.108429	0.10
227.085083	0.44
229.1829834	0.38
231.0903931	1.14
234.7534485	0.17
237.1006165	0.18
239.1973572	0.23
241.3414001	0.31
243.2849426	0.37
245.3102112	1.84
247.2774048	4.50
252.9071655	0.55
255.3605042	0.06
256.2286987	0.13
259.1369629	0.20
263.3106384	0.07
267.1883545	0.59
271.2341309	0.20
273.4720154	0.14
275.1729126	0.20
279.4121094	0.09
281.6199341	0.30
282.3638306	0.07
283.1645508	0.20
285.2889404	1.39
287.1542358	0.45
295.2715759	1.21
296.234436	0.18
297.1871033	0.26
299.3616943	0.88
300.2831116	0.11
305.3005676	2.27
307.1581116	0.17
309.9889221	0.07
310.9908447	0.15
313.2806396	0.44
321.555603	0.08
323.2445679	100.00
324.039093	0.36
325.2170715	0.08
326.0923157	0.07
331.5227356	0.18
332.3899536	0.48
341.2077942	1.86
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	472.9246
Annotation	Unknow
Peak:m/z	Relative Intensity
272.8962708	0.19
274.0208130	0.09
275.1705933	0.23
289.1888428	0.09
290.4529114	0.28
343.0866089	0.10
358.1127319	0.13
359.1167603	0.67
368.8614502	0.04
399.0563049	0.36
400.0980530	0.06
401.0147400	0.10
405.0296936	0.61
411.3535461	0.11
416.6580505	0.10
426.9687805	100.00
428.9566650	1.23
444.9282532	0.36
455.2157593	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	427.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
123.0145950	0.20
128.9966125	3.22
132.9242554	0.07
140.7695923	0.54
141.8374786	0.03
142.9307098	0.61
147.1181183	0.04
156.9166718	1.10
159.0149841	2.19
159.6885986	0.06
161.0476074	0.26
166.1011963	0.04
172.4281006	0.23
177.3209534	0.05
179.0309448	8.52
183.9170532	0.17
185.0898438	0.40
186.2513428	0.03
191.0419769	0.64
195.3097839	0.09
198.2657623	0.05
198.9658203	0.08
202.0580902	0.27
202.8497925	0.17
209.0492706	100.00
209.9809875	1.41
216.2271729	0.54
217.1000977	1.20
231.1093597	0.28
234.0589600	1.66
235.1323547	10.74
239.0065613	0.04
248.1135254	3.53
249.0506287	9.17
250.0897217	0.03
277.1480713	0.16
281.2817383	0.17
287.9347839	0.03
297.3734131	0.11
302.1582031	0.06
304.2636108	0.16
307.1464233	0.30
309.0905762	0.03
315.3464966	0.14
317.5013123	0.06
322.8191833	0.07
325.8664551	0.03
328.0446777	0.55
329.1232910	0.43
332.1844788	1.30
333.2125549	4.77
335.1087341	0.15
339.1465454	0.14
349.0918579	0.10
351.1370239	1.61
364.6198425	0.20
365.3176270	0.32
377.2668762	0.32
380.8479919	0.08
381.4811096	0.09
383.4587402	0.05
391.3741150	0.04
394.3860779	0.16
395.3001404	0.30
408.4425659	1.29
409.2950745	2.32
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2627
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
81.08214569	3.29
94.21224976	1.71
109.194458	3.49
110.7964401	1.46
114.982811	3.40
127.8290482	1.94
135.0637207	6.41
141.1061707	4.32
149.2466125	7.94
150.8516541	4.33
163.0543823	6.89
165.2466431	3.89
169.1248016	1.91
173.0119019	1.31
176.9915466	1.84
180.2885437	4.54
183.0228882	2.62
191.3000488	7.16
223.0452271	5.95
224.9651184	16.99
226.9265442	4.07
237.1542969	3.80
240.7721863	4.06
247.3432007	36.02
265.2555847	100.00
268.2332153	3.29
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	339.072
Annotation	Sinapoyl malate
Peak:m/z	Relative Intensity
96.99301147	0.04
114.7910156	0.14
133.0235901	0.77
158.9064331	0.11
178.963089	0.12
182.2644348	0.05
183.0079651	0.17
190.1026306	0.15
195.9124146	0.14
200.995575	0.05
208.2634277	0.17
223.0608215	100.00
226.9178162	0.18
244.180481	0.04
247.0570679	0.05
249.3731384	0.06
261.2091064	0.20
276.9837646	0.09
279.4071045	0.15
280.1393433	0.21
281.2442627	0.18
287.8727722	0.13
293.1312561	0.87
295.2535095	0.49
301.0291138	0.44
302.161377	0.12
303.151947	0.41
307.2073059	0.14
308.9968872	0.73
311.4700928	0.18
315.6973877	0.25
319.0671997	0.21
320.9763184	2.23
321.7627258	0.02
324.1946106	1.94
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	274.96
Annotation	Unknow
Peak:m/z	Relative Intensity
114.8763580	5.73
115.9093704	2.42
117.0308075	3.78
131.0650330	0.14
131.9921570	0.19
132.9844055	0.16
158.9870300	100.00
159.9466553	42.28
160.9126434	69.17
186.8867950	0.07
199.2448730	0.21
200.0122070	1.03
201.0733337	2.82
203.2086487	0.09
217.2780457	0.04
218.0772095	0.58
219.0917358	0.84
219.9638367	0.07
221.2486877	0.05
228.9012451	1.33
229.9285583	18.29
230.9185791	36.86
245.9146729	0.37
247.0391846	0.61
249.3548889	0.09
256.7211304	0.11
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	1006.3
Annotation	Unknow
Peak:m/z	Relative Intensity
380.5860901	0.14
452.1645508	0.69
462.1018066	0.16
474.2813416	0.95
494.4331055	0.35
512.3126221	0.14
546.0649414	0.32
560.5206299	0.41
562.2393188	0.14
564.3561401	0.28
601.4206543	0.16
607.4616699	0.62
617.3883057	0.22
668.0006104	0.33
702.9249268	0.27
721.1946411	0.59
841.2751465	0.31
866.4891357	0.46
883.3081055	0.68
897.0330811	0.34
908.4989014	0.14
920.9951172	0.68
931.1597900	0.28
933.4583740	0.18
936.5650635	0.14
942.9580078	1.64
947.7762451	4.91
951.6977539	1.54
953.9324951	0.63
964.7187500	1.15
967.1542969	3.39
970.0429688	0.34
971.9288330	5.63
973.9052734	12.37
974.5142822	4.27
975.6545410	0.24
976.7773438	0.16
977.6419678	2.71
978.4934082	0.17
979.7910156	1.53
981.7644043	1.39
982.5976562	0.24
983.6695557	0.15
986.1945801	1.11
987.4569092	4.39
988.1711426	3.62
989.6474609	9.04
991.5969238	1.18
993.1501465	0.20
993.7791748	2.57
994.7900391	0.52
996.4099121	0.45
997.6055908	0.35
1022.8659670	1.08
1032.6069340	0.85
1056.6425780	0.39
1057.4326170	0.74
1058.5688480	0.27
1060.0061040	0.19
1061.5920410	1.70
1066.9135740	1.78
1069.1951900	1.95
1074.1137700	2.06
1075.7583010	1.23
1079.3261720	1.53
1082.8903810	1.35
1084.5253910	2.16
1085.2119140	0.17
1086.7537840	3.82
1087.8892820	3.16
1092.2554930	0.22
1093.5172120	1.41
1094.4217530	1.10
1096.0229490	3.55
1097.0964360	1.97
1097.9177250	0.87
1099.5899660	1.12
1100.4560550	4.34
1103.4897460	5.59
1104.5456540	1.71
1108.3320310	4.64
1110.9904790	3.72
1111.8958740	3.57
1113.0769040	2.22
1115.1431880	1.26
1116.8264160	0.24
1118.4040530	6.81
1119.2440190	0.55
1120.4694820	1.83
1122.1696780	0.44
1124.2602540	1.16
1125.3735350	2.30
1126.2076420	3.37
1127.1918950	1.98
1128.1945800	2.20
1129.1566160	1.38
1129.9765620	3.73
1130.8569340	2.78
1132.1000980	2.46
1132.7382810	0.90
1133.7170410	2.96
1134.6865230	4.96
1135.4200440	1.99
1137.3773190	11.36
1138.4750980	4.57
1139.2543950	1.58
1140.8691410	13.53
1142.3376460	5.82
1143.0256350	3.58
1143.7546390	1.95
1144.9682620	1.72
1146.6711430	11.57
1147.3056640	2.17
1148.6505130	0.79
1149.3372800	4.47
1150.1968990	7.18
1151.2424320	3.74
1151.8430180	5.45
1152.4685060	2.64
1154.0397950	2.29
1154.7648930	2.22
1156.4696040	4.68
1158.6894530	0.34
1159.7125240	0.68
1160.5760500	0.43
1162.0736080	6.48
1162.7564700	0.05
1174.0996090	1.18
1175.8974610	0.23
1177.9289550	4.26
1181.6293950	0.26
1183.4121090	0.22
1186.7662350	1.26
1187.7438960	0.82
1193.8448490	1.36
1198.2365720	1.93
1198.9864500	1.43
1202.5312500	7.98
1203.2080080	1.28
1204.0869140	1.41
1214.7080080	1.47
1217.4279790	1.53
1218.4627690	0.61
1224.6992190	1.22
1226.4006350	0.10
1227.7202150	1.39
1230.2626950	1.87
1231.7169190	1.14
1234.5434570	0.86
1236.4039310	1.25
1238.4802250	1.58
1243.7932130	3.14
1245.4558110	2.08
1246.8063960	1.10
1247.9318850	2.92
1251.9147950	0.64
1253.6774900	0.33
1254.4792480	0.39
1256.1809080	4.85
1259.3309330	0.40
1260.1928710	0.96
1260.7998050	2.89
1265.9992680	2.31
1270.1430660	0.91
1271.1679690	2.07
1273.8261720	0.70
1277.0457760	1.40
1278.9561770	0.73
1280.5351560	2.42
1283.9213870	2.96
1284.7821040	2.21
1286.6894530	0.43
1287.3530270	0.16
1292.1385500	2.00
1292.9642330	4.01
1293.6723630	3.30
1295.5950930	1.39
1297.3901370	0.08
1301.9971920	1.58
1303.4468990	3.12
1310.0057370	1.70
1310.7761230	1.60
1314.8697510	0.39
1315.6553960	3.90
1316.7041020	0.78
1318.2293700	2.07
1323.7271730	2.30
1324.8133540	0.95
1329.8839110	5.80
1331.7130130	1.83
1332.4697270	0.25
1333.2395020	1.71
1335.4934080	1.20
1336.2515870	0.72
1337.6654050	2.76
1338.7410890	0.93
1339.8841550	0.18
1340.9755860	2.46
1341.9134520	5.95
1346.0169680	3.44
1348.8740230	2.28
1352.3651120	3.85
1353.1425780	3.36
1355.3956300	4.20
1356.5109860	0.86
1361.5209960	1.15
1362.5253910	2.69
1366.1917720	0.92
1367.8527830	0.76
1373.2750240	0.79
1387.7298580	1.10
1393.9594730	0.89
1395.0842290	0.51
1401.4473880	0.84
1411.4296880	0.67
1412.9775390	0.78
1420.9847410	0.25
1433.2340090	0.39
1438.0766600	1.07
1439.7298580	0.09
1462.7805180	0.30
1467.7409670	0.57
1469.7424320	0.30
1471.3022460	1.23
1474.8031010	0.93
1480.9614260	0.96
1485.8688960	1.50
1502.3446040	0.53
1525.9384770	0.42
1527.9649660	0.44
1530.3909910	0.17
1537.7324220	1.45
1540.2049560	1.20
1543.8653560	0.88
1565.0017090	0.97
1566.5955810	0.12
1572.4584960	1.25
1578.2492680	1.28
1580.3082280	1.26
1582.7310790	0.39
1584.2130130	0.30
1585.7395020	1.65
1588.5805660	1.29
1607.9278560	1.32
1631.3023680	0.91
1635.4991460	1.03
1656.7232670	0.12
1717.2723390	1.06
1721.6383060	0.30
1730.8054200	0.21
1736.9000240	1.08
1741.0709230	0.79
1754.7264400	0.06
1763.1270750	0.16
1768.3645020	0.23
1793.0352780	0.13
1797.0230710	0.78
1800.1273190	0.19
1808.0516360	0.23
1810.0010990	0.20
1810.7032470	0.31
1815.1317140	0.33
1822.7424320	0.08
1837.3941650	0.34
1841.7149660	0.25
1846.8004150	2.26
1850.1947020	0.23
1863.0277100	0.99
1874.9068600	7.64
1891.0837400	0.44
1897.0812990	0.46
1901.8775630	3.42
1905.4251710	4.27
1909.4437260	0.15
1920.1385500	0.21
1922.8228760	0.07
1925.9890140	0.28
1926.7189940	0.23
1929.2681880	0.15
1931.2687990	0.26
1933.0950930	10.35
1934.4442140	1.82
1936.3157960	0.28
1939.0130620	31.57
1939.8001710	0.60
1940.5162350	0.54
1942.6149900	15.53
1943.2888180	0.71
1946.5246580	0.26
1947.9898680	1.72
1955.8743900	0.13
1957.0999760	28.76
1966.7698970	1.26
1968.1583250	1.79
1968.8284910	1.05
1969.5144040	0.54
1970.1636960	0.11
1970.7780760	0.25
1972.2264400	59.13
1976.3140870	0.27
1977.6842040	0.24
1982.0921630	100.00
1982.6975100	34.79
1984.4871830	1.39
1985.9523930	1.23
1987.2786870	0.15
1988.9613040	1.83
1989.9779050	0.10
1991.1750490	27.21
1992.4486080	0.36
1994.4046630	0.36
1995.1579590	0.47
1996.4071040	0.70
1998.3011470	0.41
1998.9479980	0.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	452.2782
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
140.0021515	0.12
152.664566	0.27
183.9697723	0.13
196.034668	2.18
198.9012146	0.82
214.1730499	0.76
252.045166	0.19
255.2382202	100.00
255.8512878	0.18
256.6737366	0.09
268.0848083	0.12
283.0858154	0.43
351.5966187	0.08
356.2150879	0.11
363.297821	0.13
373.1590271	0.36
381.3833313	0.38
382.4883728	0.25
383.193573	0.08
389.4680786	0.10
391.180481	0.28
392.4059143	0.13
406.2928467	0.19
407.419281	0.24
408.5680237	0.40
410.2910156	0.30
414.1403503	2.28
415.2936707	0.40
416.1013489	0.49
417.3694458	1.16
424.2147827	0.14
431.5651855	0.32
433.4351501	1.67
434.1915588	2.98
435.283844	1.06
437.2931824	0.11
452.961731	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	615.9
Annotation	Unknow
Peak:m/z	Relative Intensity
173.8507843	0.03
199.0622253	0.14
217.2101135	0.02
229.1354675	0.04
229.9118500	0.02
272.9913940	9.61
274.0634155	2.28
313.2290039	0.02
384.9279785	0.04
386.9572754	19.24
388.0169678	7.05
426.9282837	0.04
459.2767944	0.03
460.1632690	0.05
499.2968140	0.04
500.9188843	100.00
501.9463501	51.33
513.1129761	0.09
525.0851440	0.03
527.7008667	0.05
539.1133423	0.03
541.1340942	0.02
567.0180054	0.07
568.9649048	0.22
569.9070435	0.09
572.0274658	0.02
587.3980713	0.09
592.0413208	0.03
597.1987915	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	266.02
Annotation	Unknow
Peak:m/z	Relative Intensity
201.7183685	0.04
203.3114166	0.08
219.9512177	0.10
222.1421509	0.04
224.0864258	11.19
224.8968353	100.00
238.2899170	0.06
242.6256866	20.69
243.3506317	0.13
248.9824829	0.10
251.2677765	0.12
269.0376892	0.05
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	355.0882
Annotation	3-O-beta-D-Galactopyranuronosyl-D-galactose
Peak:m/z	Relative Intensity
102.7986145	0.15
105.0112228	0.27
112.9955444	6.62
115.0090561	0.19
129.0651398	1.10
130.9621124	21.79
145.0910034	1.12
146.5034180	1.00
157.0078125	5.55
170.9258728	1.39
174.9232483	100.00
183.2350159	0.41
193.0296021	1.55
200.9191895	0.16
217.1015015	0.56
218.9672241	4.91
223.0229187	0.46
235.1050110	1.55
242.2558594	0.15
256.8013916	0.92
263.0412903	0.16
265.0468750	1.41
272.2148743	0.22
281.1290894	0.34
295.0515747	6.11
311.3139038	0.42
336.9749756	8.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	259.0224
Annotation	Aldohexose 6-phosphate
Peak:m/z	Relative Intensity
78.8464050	15.29
96.9026489	100.00
100.9771347	0.45
112.9531097	0.34
115.0091553	0.19
131.0832825	0.15
137.0939178	0.15
138.9716034	5.85
143.0498962	0.48
151.0002289	0.60
153.3742676	0.12
161.0252228	2.27
168.8630981	18.70
171.0542755	0.52
172.1189728	0.12
194.9990082	0.21
199.0503998	28.41
215.9559326	0.17
217.2973785	0.09
222.8756104	3.42
229.1070099	1.73
241.0031738	16.54
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2421
Annotation	[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
92.9468689	0.33
94.95902252	0.18
97.08503723	1.15
109.1085968	1.42
110.8650208	0.23
113.1137314	0.18
119.0841064	0.54
123.0296173	1.02
127.0780182	0.30
133.0683136	0.59
135.1498108	0.55
138.9962769	8.85
140.9567871	1.45
143.0349731	0.38
151.342804	0.35
153.2092285	0.26
154.3608093	0.36
155.2032471	0.33
157.0761566	0.28
158.9134827	0.25
163.0188751	0.86
165.1427155	0.88
167.2808075	0.41
168.9443054	0.73
172.9900818	0.32
175.1320496	0.24
179.1222534	0.90
181.0102692	0.52
182.9821472	2.00
185.2223511	1.21
187.2115173	1.31
190.9642944	0.28
193.0443268	0.22
195.1391907	2.03
197.0345001	20.25
199.239624	0.68
201.4915771	0.18
203.054718	1.11
208.941803	1.28
211.2154846	2.82
213.2458801	1.04
215.288269	0.60
221.1808472	3.33
222.8948975	1.30
225.3014832	1.11
227.1650696	0.43
229.1022339	0.66
232.9032593	0.44
235.1011658	0.95
237.092804	1.72
239.2064514	27.58
240.2792664	1.06
241.2549438	1.22
243.2184448	2.14
251.1634216	2.02
253.1356812	5.45
254.5248108	1.91
255.4178467	1.41
256.1018982	0.46
257.2926025	0.39
261.3921814	1.00
266.2850952	0.92
269.2015991	1.83
270.0365906	0.14
279.2297058	100.00
280.3284607	0.47
281.260376	1.56
297.133728	0.51
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	469.1218
Annotation	N-Nitrosofolic acid
Peak:m/z	Relative Intensity
142.9907684	0.03
160.1022797	0.08
167.0589600	0.07
171.1581421	0.03
177.2477417	0.02
179.1119843	0.06
192.3724060	0.03
209.9536438	0.08
216.0744019	0.03
222.1690674	0.02
223.9793854	0.08
235.9279022	0.02
242.0760956	0.04
244.7637634	0.04
254.1057434	1.09
259.1143799	0.05
260.2543030	0.01
262.9672241	0.13
272.2438965	1.83
275.1030273	0.02
286.2928467	0.03
288.1608276	1.05
293.2598572	0.03
301.1817627	0.02
306.1062012	100.00
308.2472534	0.49
309.1007690	0.16
335.2042542	0.03
339.0797729	0.03
349.5656128	0.05
351.6510010	0.30
352.2865601	2.38
353.2109375	0.89
363.2719116	0.01
366.0441895	0.06
366.8668213	0.06
373.3269653	0.02
380.3679504	0.04
383.1457520	1.37
390.4004822	0.07
405.9129333	0.03
407.1286316	0.18
408.1819153	0.05
420.9807434	0.03
422.8239441	0.43
424.0020752	0.22
425.0523071	0.13
431.4955444	0.03
432.2410583	0.02
433.1482849	0.19
437.3187561	0.01
446.2445679	0.02
450.2647400	0.02
451.1783142	0.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	364.87
Annotation	Unknow
Peak:m/z	Relative Intensity
112.9731903	3.64
127.1561127	0.04
128.9721985	0.97
196.8688202	8.14
212.7919922	0.10
220.9905396	0.09
229.1869202	0.04
234.1817932	0.05
252.1720581	0.40
253.1545105	0.05
278.8010254	0.20
280.7241821	100.00
281.4223938	0.16
287.0084839	0.04
296.9235840	0.31
317.9497070	0.05
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
92.95661163	1.52
108.6300354	2.10
126.5206757	3.38
133.0768585	2.96
149.1764832	4.82
153.069046	3.38
155.0460358	0.97
169.2082977	1.75
178.8476715	0.78
181.0950775	1.56
183.2165527	1.54
184.9866943	1.37
195.221405	6.92
196.9196472	4.82
207.1724243	2.35
211.3835754	0.97
213.1735535	3.74
216.8392334	1.66
220.7427673	1.07
251.1033936	2.44
265.2733765	3.02
267.0526123	1.65
275.262146	8.10
280.8865662	4.55
282.5031738	1.57
293.203064	100.00
294.3765869	2.01
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2502
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
101.892395	0.05
106.8827057	0.54
109.0505676	1.89
110.9658356	0.25
117.0283508	0.44
119.0604172	0.05
121.0441742	2.10
125.0516586	0.43
127.0056763	0.05
129.0964355	0.49
132.8515472	0.30
135.0450287	3.08
137.1347351	0.45
141.0915222	0.12
143.0906525	1.47
145.0810547	0.46
147.1051331	0.40
149.133606	0.79
151.0412598	0.49
154.9335632	0.30
156.9321594	2.55
159.0125885	0.58
161.285675	0.19
163.0292816	0.63
165.063385	0.80
169.0221405	0.97
171.1052246	0.50
173.0244751	1.30
175.050766	0.22
176.9793091	0.18
178.9051514	0.11
181.2095947	0.10
183.0848999	0.64
185.140274	0.27
186.0798035	0.11
187.0649872	1.51
190.9996338	0.38
197.0921783	0.74
201.1431122	0.59
205.1092529	0.73
210.9849854	1.45
213.2461548	0.08
215.2413635	0.18
217.2856445	1.02
219.2565002	0.38
222.0897217	0.06
223.2579651	0.62
225.1819153	0.53
227.1979065	0.21
228.4057922	0.15
229.1012573	0.46
231.008606	1.09
233.0684509	0.14
235.2016296	0.10
239.3683472	0.19
243.4232788	0.07
245.1738892	0.65
247.2377625	7.38
247.8823547	0.12
251.5515747	0.29
253.012207	0.18
254.6785889	0.18
256.2574768	0.06
257.191864	0.17
259.0465088	1.33
261.0529785	0.16
267.3168945	0.26
270.2887878	0.14
271.2021484	0.47
273.2327576	0.13
276.9381714	0.68
279.4649658	0.12
281.442688	0.21
283.1948853	0.14
285.288147	0.15
287.4288025	0.34
288.0834045	0.08
290.8156738	0.09
291.930542	0.07
295.2272339	0.83
297.2411194	0.32
299.1570435	2.65
299.7902527	0.16
305.2650757	3.38
313.3092041	1.06
317.8927612	0.11
323.2478638	100.00
323.9549561	0.36
324.6171875	0.24
325.2722168	0.08
332.4282532	0.17
341.2298279	0.34
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
56.8144188	0.03
84.9984970	0.51
86.9676209	0.87
100.8505096	0.03
110.9494476	100.00
111.6382141	0.01
116.8381805	0.05
128.9951172	3.16
130.9212952	1.19
155.0078430	0.45
172.9523773	22.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	387.1401
Annotation	Isosamidin
Peak:m/z	Relative Intensity
112.0489197	0.37
135.8348541	1.02
167.1368866	0.44
167.9875488	0.87
174.1153412	0.25
185.5697021	0.19
214.1988831	0.66
216.6826782	0.31
224.8963013	0.18
232.9829407	0.23
258.2027283	0.36
265.3610840	0.18
268.9942322	0.45
281.1852417	0.49
299.2669678	0.99
315.2678223	0.38
322.6625366	0.38
325.1302490	0.66
327.0282593	0.55
327.9756165	0.21
337.1832581	0.46
340.1841736	0.38
341.1329041	0.39
342.6705322	0.26
345.6787109	0.97
351.2578430	0.77
352.2152100	0.44
357.1215210	0.28
363.2693481	0.19
370.0204773	100.00
370.7747498	0.46
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	613.16
Annotation	Unknow
Peak:m/z	Relative Intensity
177.1803589	0.06
179.0997925	1.52
185.0025482	0.05
192.1425171	0.06
210.0628357	0.75
210.9477539	0.08
213.2755890	0.13
214.8763275	0.11
232.0653992	0.08
236.0260620	0.31
241.9546356	0.10
254.1924133	3.96
256.1401367	0.14
266.0914307	0.11
268.1522217	0.09
272.1786499	4.17
288.1251831	2.95
288.9874878	0.14
304.1422729	0.17
306.0957031	100.00
307.3310547	0.79
308.2090454	0.39
337.9717407	0.14
340.4816284	0.19
344.2328491	1.11
345.2621460	0.32
346.1914673	1.63
359.0604858	0.09
359.8534546	0.10
361.3687134	0.16
392.1971436	0.07
396.0394287	0.24
419.2260132	0.06
436.7882080	0.34
461.8701782	0.25
478.5462646	0.51
481.2879639	0.07
482.7822876	0.11
483.4564819	0.19
484.4267578	0.05
499.2525635	0.09
508.1806641	0.19
514.2553711	0.22
514.9909668	0.36
548.2324829	0.16
550.9877930	0.18
567.0330811	0.08
568.1815796	0.07
575.0025024	0.06
576.3049927	0.07
593.9429932	0.31
594.9614258	0.38
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
109.1772919	0.57
123.0173111	3.01
131.0131531	0.62
137.0958557	2.34
138.8305511	6.11
140.901886	0.52
142.8210449	1.44
153.1192017	0.42
155.069519	1.97
160.9763489	0.86
169.0831299	4.25
179.0947418	1.95
182.8974762	4.28
185.163147	1.92
191.2807007	0.52
192.9555664	1.69
194.9839935	0.62
197.1245422	8.01
200.8451233	1.33
203.3863831	2.65
209.0595093	1.93
210.3797302	2.19
211.0193787	5.22
213.0928345	0.62
214.9104004	1.13
219.384552	1.12
221.0228577	3.72
223.1763	0.67
224.6670532	0.57
225.2744446	1.53
227.2177734	4.56
237.3768005	4.63
239.1757812	15.18
241.4753113	0.98
243.1764526	4.23
251.3069153	7.23
253.0616455	3.36
255.2201233	3.29
257.2067871	5.14
261.4324951	4.42
267.135498	1.69
277.2449341	1.48
279.2375488	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	357.25
Annotation	13,14-dihydro-15-keto Prostaglandin E1-d4
Peak:m/z	Relative Intensity
109.0027924	0.18
126.9642181	0.29
128.9323273	0.32
142.8321228	0.22
157.1152649	0.95
159.053772	0.60
171.0573578	0.69
173.0413818	0.37
177.0958862	1.01
183.1161499	0.54
184.9938354	4.03
187.0014343	2.74
190.300827	0.13
199.3115234	0.67
201.1929779	0.32
211.0811462	0.49
213.256073	1.83
215.122406	2.41
224.9897156	0.26
227.0820312	0.50
229.2447205	2.96
231.1330872	0.82
241.1947937	0.86
243.0840149	3.47
245.1379089	0.95
253.3742981	0.35
254.1260071	0.28
255.1564331	2.04
257.1737976	11.16
259.2640686	0.81
261.3624573	0.40
263.2174683	1.74
266.8816528	0.89
269.2037964	0.79
270.0021362	0.48
271.2852173	5.86
272.9569397	1.79
277.4186707	0.79
283.3078308	3.91
285.24646	4.09
285.9373474	1.06
287.337677	1.25
293.271698	0.42
297.1536255	1.99
299.3210449	7.70
300.3782349	0.38
301.3067322	2.29
310.1516724	0.50
311.2098389	1.76
312.1461487	0.46
313.1421814	12.47
314.1125488	0.48
315.2940063	6.18
318.899292	0.82
321.097168	3.54
322.1203918	1.87
323.3387451	6.42
325.3026733	0.40
326.218689	1.17
327.3968506	0.29
329.5016785	0.26
339.2479248	100.00
340.0628357	1.24
341.3330078	22.32
342.1832581	0.66
358.3053284	0.45
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
159.0264893	2.74
160.0173340	0.90
161.1319885	0.94
162.1033630	0.03
199.0935059	0.20
199.9305115	0.12
201.0489807	0.42
218.3154602	0.06
220.0818634	0.04
228.9640503	0.47
230.1840515	0.19
230.9745178	0.31
231.9573517	0.07
272.9985657	30.17
274.0281372	18.22
274.9856262	33.99
276.0648193	6.14
301.1175232	0.02
345.8729248	0.04
372.8458557	0.10
373.5166626	0.03
386.9460449	24.55
387.9753113	27.01
388.9463501	100.00
390.0259399	30.49
413.9126892	0.05
418.1075745	0.16
428.9507141	0.12
429.9281616	0.33
439.8296814	0.03
442.0282288	0.13
446.9739380	0.03
448.0201416	0.06
456.8612366	0.11
458.8790894	1.08
475.7419739	0.03
476.9144897	0.04
486.0132751	0.02
512.8292847	0.15
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	447.0529
Annotation	Glucobrassicin
Peak:m/z	Relative Intensity
138.8276825	1.93
144.0731354	2.87
145.2444458	0.62
162.8836060	1.25
163.6913147	1.13
171.1761475	0.45
172.0784912	1.94
174.2133789	0.64
188.8800659	2.42
195.0949707	6.99
205.0853577	24.35
207.9904480	2.55
224.1969604	1.17
224.9171448	1.15
227.0115967	6.04
241.0213928	5.04
251.0028381	8.97
253.1342773	0.81
254.0420227	2.56
259.0873718	100.00
266.1376953	0.81
269.1797791	13.67
275.0487976	70.10
291.0845337	21.53
298.1178589	0.71
367.1564636	12.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	602.74
Annotation	Unknow
Peak:m/z	Relative Intensity
175.0301666	0.06
179.1831360	0.06
180.0199738	0.02
180.7169800	0.07
195.0314026	0.02
210.9964294	0.07
214.8546753	0.03
220.9409790	0.08
223.0500641	0.04
241.1924591	0.16
242.1983643	0.06
245.2631226	0.39
246.1991119	0.31
257.0423584	0.03
259.1263428	0.33
260.2232361	0.07
279.9166565	0.12
280.9485474	0.07
282.0640564	0.28
292.0485229	0.03
323.0967102	2.79
329.0696411	0.24
332.1862183	0.06
334.0697021	0.13
340.8308105	0.19
342.0069580	0.21
343.0982056	0.02
345.9461060	0.15
349.3756104	0.09
355.2190552	0.30
356.3569946	0.45
359.1867065	0.13
371.1676025	0.05
372.4161377	0.10
377.0289917	0.17
379.9637451	0.03
383.2772217	0.76
384.2094727	0.89
385.4077759	0.14
398.0592041	0.04
399.0171509	0.10
399.7714844	0.03
401.1080933	0.83
403.9655151	0.09
406.7839355	0.08
410.9950562	0.10
417.1036377	0.05
417.9845581	0.14
419.1462402	0.36
420.9251709	0.11
421.6748657	0.29
422.8198853	0.07
424.1812134	0.03
426.2201538	0.19
429.1181030	0.30
436.9592896	0.17
437.9722900	0.38
439.0568237	0.56
440.3574219	0.46
441.1015015	0.67
443.0595093	0.02
444.1209717	0.40
444.7822876	0.03
452.0764160	0.11
452.8824463	0.05
454.9638062	0.24
455.9542847	0.34
457.0093384	0.72
466.2092896	0.14
467.0800171	0.17
468.8225098	1.01
470.1320801	0.19
470.7736206	0.02
482.1043701	0.12
483.1943359	0.71
486.2925415	1.28
486.9091797	6.72
504.7958984	100.00
506.0492554	0.09
510.8930054	0.04
513.1722412	0.04
516.5940552	0.16
518.4534912	0.03
524.1016235	0.03
527.0714722	0.03
541.9262695	0.07
543.3895874	0.06
547.8494263	0.12
556.3215942	0.60
560.1670532	1.65
566.8040161	0.58
572.2770386	0.03
582.9655762	0.02
584.2327881	2.13
584.9210815	5.41
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
99.0071716	0.28
115.9174042	0.24
125.1303101	0.04
126.0440063	0.07
126.9916687	0.20
127.9922485	8.65
135.0239868	0.12
141.1842651	0.04
143.0941772	10.45
143.9552002	0.06
145.1152954	0.18
145.9574585	0.87
153.3101349	0.10
154.6380615	0.23
159.9908295	11.41
161.9478760	0.13
166.2715912	0.12
167.0545807	0.77
169.1360321	0.26
170.7972717	0.64
171.4025421	0.26
175.1392212	0.09
176.9468079	8.89
179.0639038	9.41
185.2013397	0.64
191.1752777	0.05
191.9671631	0.09
192.9434662	0.11
196.9882202	1.48
198.1455994	0.07
207.4493713	0.09
210.1734619	4.30
212.8379517	1.67
215.1497803	0.10
228.2104492	0.43
230.9631653	0.64
233.9562073	0.10
236.0958557	0.38
242.0748291	1.24
247.2449036	0.08
249.1058044	0.08
250.2539673	0.42
254.1225281	84.97
259.2439575	0.03
259.9803467	0.14
262.0297241	0.07
263.2814941	0.12
267.9277954	0.33
269.1519775	0.15
269.9963074	0.40
272.0841064	100.00
273.9451599	0.09
278.4129944	0.15
285.4429932	0.15
286.2091064	0.13
288.0282593	66.36
289.2958679	0.08
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	471.1354
Annotation	N-Nitrosofolic acid
Peak:m/z	Relative Intensity
143.3731995	0.09
144.9948120	0.76
161.9577637	1.49
179.0426178	4.46
181.0817871	0.20
196.2899170	0.07
198.2839966	0.32
198.9939270	0.41
221.0798035	2.17
224.7609558	0.14
239.1004181	5.93
245.2471008	0.17
256.1098938	0.54
257.0805969	0.16
266.8786926	5.26
272.1178894	0.07
274.1560364	0.82
289.1554260	0.09
308.1228333	7.97
325.1228333	25.69
325.7309265	0.15
336.0515442	0.09
336.9194641	0.13
342.0578003	100.00
342.8023682	0.25
366.9537354	0.08
377.8377380	0.10
381.2782593	0.24
382.3934326	0.06
396.1858215	13.38
408.0699463	0.37
434.9673157	0.06
453.1927795	1.35
454.0505066	0.19
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	223.06
Annotation	5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone
Peak:m/z	Relative Intensity
111.1998138	0.45
130.9399567	0.11
136.8186493	0.28
149.0286713	0.79
150.9178162	0.24
164.0656281	15.22
164.8245392	0.14
173.2807770	0.11
177.1081696	0.42
179.0812988	37.27
180.0615845	0.20
184.8798676	1.13
186.8415070	0.10
191.1145477	0.10
192.8033905	1.84
195.0095978	0.33
203.1438751	1.26
205.0696564	1.24
205.8809662	1.18
208.0070038	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	442.8
Annotation	Unknow
Peak:m/z	Relative Intensity
191.0995636	0.34
196.7795105	0.68
206.8038940	6.21
274.1331177	0.71
274.7933960	14.42
278.4922791	0.22
290.7203674	100.00
291.3342896	0.25
298.9104614	2.38
305.8473511	0.95
312.9370117	0.39
317.1336670	0.58
356.9785156	0.22
358.7958069	64.21
374.0599365	2.66
374.8905029	1.67
378.2365417	0.33
382.9618835	0.18
396.2029114	0.15
424.9652405	0.34
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	297.2418
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
95.04035187	0.37
96.71321869	3.20
109.1837616	0.97
111.132103	0.63
112.9439774	1.07
116.8131866	0.80
123.0144577	0.56
124.7948456	0.29
138.8834229	0.97
140.8790283	0.60
153.0651245	2.14
156.046051	1.40
163.1454163	0.70
165.0104218	1.44
169.1384583	0.41
170.8671722	0.41
179.0055542	5.34
185.3971252	0.31
195.0513611	0.52
196.9571228	7.14
199.1723938	0.91
211.3176575	0.64
213.2553101	0.87
219.3564453	0.94
221.1299133	3.10
223.2470703	0.45
225.0678406	2.30
237.3713379	1.63
239.1586914	3.95
243.0896606	0.76
249.2170715	0.87
251.3984985	3.87
253.1275024	1.11
255.1524353	0.56
256.9951172	0.69
261.2120972	3.73
278.5921631	3.88
279.2220154	100.00
281.3623047	0.55
284.996582	0.37
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	510.78
Annotation	Unknow
Peak:m/z	Relative Intensity
190.8098907	0.12
206.8680267	0.35
223.0507050	0.10
258.8739014	0.18
274.1984253	0.21
274.8495178	5.29
290.7527466	2.51
342.6845703	1.95
358.7473755	18.74
374.7787476	0.90
394.3972168	0.06
424.8400269	0.04
426.6844482	100.00
442.5464478	9.39
493.4405518	0.06
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	420.0457
Annotation	Glucoerucin
Peak:m/z	Relative Intensity
128.8769531	3.00
135.0119019	0.61
138.9245453	0.20
142.8226013	0.71
144.9324799	1.50
160.3178101	0.24
163.0375977	3.35
163.8886108	1.10
168.8680267	0.48
178.0332642	6.09
194.9486389	4.49
196.9138184	2.73
198.9981689	0.64
220.2128143	1.39
223.9941101	11.38
226.9710846	12.16
229.1250153	0.82
239.3505859	1.49
241.0924988	1.62
242.1125183	13.44
256.8555908	0.34
259.0350037	100.00
270.9083862	0.60
275.0328979	29.80
291.1785889	5.45
340.1230469	9.17
341.2288208	1.11
343.0595398	0.99
359.0377197	0.31
373.8735046	0.77
388.2605286	0.55
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
94.78894043	2.94
109.0885925	1.25
123.1340866	0.97
125.1795197	0.79
127.0165253	1.07
139.1006775	5.69
141.1383667	0.83
149.142334	1.55
150.8400574	2.12
151.5172119	0.54
153.0030975	4.19
155.1942444	2.03
164.9837952	3.01
168.9368439	1.28
197.035553	9.68
203.3896179	4.81
210.1021118	0.55
214.8856201	0.65
221.0513611	0.78
223.0632935	1.42
225.3631897	4.17
227.1891479	1.46
233.1689453	0.69
236.7550964	2.39
237.4334106	1.91
239.1785889	16.44
243.0167847	0.60
246.1457825	1.04
251.5147095	1.70
253.2926025	4.28
255.2880859	2.20
261.2820435	5.11
270.249115	2.24
279.2293396	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	594.74
Annotation	Unknow
Peak:m/z	Relative Intensity
206.9444733	0.41
219.0365601	0.12
274.8479309	0.44
279.6135254	0.07
290.8007812	1.75
342.6564331	0.38
358.6376343	1.77
371.0667725	0.14
374.2590942	0.11
376.9688110	0.07
397.4945068	0.04
415.1483765	5.83
426.5874634	9.78
428.8228760	0.67
442.0315552	1.43
442.6950073	12.73
458.7401733	2.35
488.1498413	1.83
488.7891846	4.18
510.5822754	100.00
511.1917114	1.29
517.8625488	0.07
522.1652222	0.29
526.6292114	6.24
530.8569336	0.36
534.6652222	1.31
548.7002563	4.29
576.9625244	0.38
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	463.0478
Annotation	4-Hydroxyglucobrassicin
Peak:m/z	Relative Intensity
130.9355469	0.15
139.0520630	0.20
159.9371796	8.93
163.2979736	0.24
169.0341339	4.01
170.1573486	0.15
172.2978821	0.15
176.0648193	3.28
185.1884460	0.76
187.0539246	0.61
188.2448425	0.29
189.2040710	0.51
205.0305176	2.44
210.9571991	0.71
221.0325928	5.40
224.0122070	0.71
224.9512939	0.16
240.0436249	12.03
241.0360565	1.29
245.3070068	0.21
249.1129456	0.42
259.1379700	9.77
267.0680237	83.42
267.9728088	0.39
270.1139221	0.20
275.1413879	1.70
285.1038208	100.00
291.2112732	0.75
301.1588135	0.28
302.3044434	0.15
383.2080994	8.61
428.9478455	0.30
444.9212952	0.43
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	864.9218
Annotation	Unknow
Peak:m/z	Relative Intensity
440.4353027	0.05
442.1947021	0.05
465.4654541	0.03
475.8102417	0.06
483.4296265	0.25
561.3377075	0.17
595.7406616	0.05
606.1361694	0.07
611.5587769	0.08
612.4520874	0.10
618.5512085	0.13
629.2600098	0.37
630.7756958	0.14
650.6749268	0.04
652.3032837	0.02
678.5606079	0.05
695.3800049	0.08
703.2880859	0.09
709.9479370	0.38
716.7971802	0.09
718.3677368	0.25
723.5225220	0.06
725.1009521	0.45
725.8417358	0.61
726.7780762	0.12
727.4806519	0.38
728.3662720	0.25
733.8359985	1.02
734.6041870	2.18
735.4512329	0.16
736.0709839	0.05
743.2124634	1.75
744.8526001	0.15
752.1429443	0.09
761.5495605	0.09
768.6203613	0.08
774.1878052	2.98
775.2697144	0.57
779.4837036	0.04
783.1522827	16.08
783.9786377	3.22
784.6715698	0.13
791.9793091	4.30
792.8078003	4.12
798.4521484	0.08
799.1791382	0.27
803.4897461	0.07
807.6626587	0.13
816.5911865	0.07
819.4717407	0.03
821.5369873	0.29
829.2393188	0.67
832.4293823	0.09
833.9198608	0.22
835.7228394	0.08
838.0983276	10.42
839.0287476	3.18
847.2543335	100.00
848.0355225	15.97
849.0233765	0.06
856.2173462	0.71
896.6599731	0.10
914.0999146	0.08
927.1704712	0.08
929.6801758	0.24
953.5730591	0.12
966.1107788	0.05
968.7267456	0.05
984.5932617	0.36
985.6063843	0.08
986.4945679	0.29
1002.6584470	0.27
1003.7370000	0.36
1064.8868410	0.10
1081.8775630	0.08
1083.5064700	0.05
1099.8212890	0.07
1100.6719970	0.12
1167.5422360	0.08
1191.6929930	0.12
1210.7026370	0.07
1253.1732180	0.03
1323.0593260	0.05
1452.8984380	0.11
1469.8265380	0.07
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	283.2627
Annotation	omega-Cycloheptylundecanoic acid
Peak:m/z	Relative Intensity
80.97877502	0.85
82.91669464	1.35
83.82221985	0.54
84.89984131	1.90
89.01855469	0.25
91.00227356	0.47
95.00636292	8.65
96.15219116	0.58
96.85453796	7.17
98.79101562	0.44
101.0550613	7.35
106.9239502	2.94
109.0084534	3.63
111.0987701	1.28
112.9173889	1.78
114.9552002	1.64
121.0823517	4.83
123.1978989	1.42
124.7052155	1.82
128.2139587	0.32
133.237793	1.17
135.0346069	4.99
137.0124512	1.78
139.0207825	3.05
142.0561218	0.50
143.0187073	2.59
149.1152954	10.00
151.0825806	1.75
153.0320129	0.28
157.1919556	1.00
163.1334381	2.77
165.1217957	4.71
167.2505951	0.56
168.9445801	1.79
177.1559143	4.52
181.3664246	0.70
183.0147552	1.11
185.1352692	1.84
191.1992188	1.81
194.4156189	0.63
195.260437	2.50
199.4002075	2.23
202.2961426	0.38
203.1350708	1.93
205.1424255	2.53
206.0166931	2.10
207.2721863	2.18
208.9273376	0.69
210.9768677	0.98
213.2060242	5.47
220.9171753	0.35
224.954895	18.79
226.9353027	0.94
228.1383057	0.50
237.1548462	2.04
238.2022705	0.65
239.3673096	7.51
241.4968872	2.72
245.0650635	0.70
246.7423706	7.57
247.3483276	24.89
255.1848145	2.75
265.24646	100.00
266.293396	0.75
267.1995239	2.95
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	304.99
Annotation	Unknow
Peak:m/z	Relative Intensity
114.9536591	8.19
132.9139709	100.00
175.1331482	0.11
176.0688934	0.07
177.8812408	0.13
186.9745178	0.06
188.3008423	0.07
189.1322327	0.09
195.7992706	0.13
203.0282288	0.26
215.0687866	0.05
229.1570129	0.13
230.1520081	0.12
230.9328613	0.37
232.0155029	0.04
235.0194702	0.10
242.5026245	0.17
243.3927612	0.06
244.9285583	13.06
253.3253174	0.28
260.3388367	0.17
261.1079407	0.30
271.0065918	0.42
285.1182861	0.07
286.4537354	0.47
287.0908813	0.70
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	253.0854
Annotation	2'-Methoxyflavone
Peak:m/z	Relative Intensity
90.81800842	4.51
93.06002045	2.69
95.05410767	3.97
99.10598755	2.38
102.9806061	2.32
106.9445343	2.70
111.0862885	3.25
120.7284241	3.91
121.9781342	2.15
122.915802	1.18
125.1819	1.14
126.9695129	1.34
128.9387207	12.78
130.9799347	2.03
132.9850922	6.90
133.919281	1.85
135.2431335	5.58
138.9194489	0.99
141.038681	9.34
146.9881134	2.79
151.0283813	100.00
152.084671	3.32
152.6987457	2.27
154.9664459	3.52
161.0206146	8.05
164.6855469	4.88
166.1965942	2.48
168.9516754	10.25
170.1268463	1.65
171.0214386	1.62
174.144516	1.35
175.1295624	7.28
177.2545776	9.55
179.0633087	1.18
180.2017822	0.99
183.1701202	2.04
184.9902191	7.47
189.0347443	3.76
191.1762848	2.56
193.2474365	2.84
195.1206818	4.08
196.8985748	13.44
199.0588531	1.71
204.8885345	4.88
207.102005	20.66
208.2803192	3.30
209.3199463	2.98
210.0164795	5.02
211.0930023	26.40
217.2111359	23.56
225.193161	27.47
226.0251312	3.81
229.0690765	2.03
231.7704315	7.24
234.5188751	19.54
235.187851	86.57
238.1103973	12.64
239.0875244	6.09
244.2432098	1.86
251.2324219	1.65
253.0795441	80.22
254.1432648	2.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	351.156
Annotation	Leu-Ile-OH
Peak:m/z	Relative Intensity
118.9505081	0.29
123.1336136	0.16
144.7099304	0.38
177.1209717	0.16
179.0530548	0.26
180.0430603	0.11
193.344696	0.16
201.1246643	0.19
203.9675903	0.21
206.8842773	0.26
218.2337341	0.55
225.0888367	0.16
230.9906006	0.20
237.2802429	0.25
252.9796448	0.31
255.2225037	0.75
260.991272	0.20
263.3600464	0.44
265.0043945	0.11
272.0148926	1.02
272.9963989	0.98
274.0219116	1.64
280.2225342	0.26
287.0043945	0.19
289.2236328	2.50
291.1386719	0.22
292.9967041	0.17
299.046814	0.14
305.1608276	4.79
307.175415	100.00
307.9379578	0.17
308.9431458	0.41
310.8675537	0.35
312.8322754	0.33
314.0550842	15.96
315.0996399	12.27
315.9725342	24.12
316.6143188	0.49
318.974884	0.14
321.34198	0.93
323.0296936	0.15
324.2151794	0.33
329.5929565	0.69
332.1626587	0.77
333.140686	4.99
333.9542542	2.74
335.0012207	0.20
336.1205444	0.14
337.2808533	0.10
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
105.3752441	0.19
107.051384	0.17
108.7996826	0.86
117.7554626	0.39
120.8872833	0.65
124.9924469	0.23
129.0151062	0.13
132.9167633	0.58
134.9864044	1.48
137.044754	0.86
148.7073059	0.96
149.3095703	0.62
153.0500946	0.61
157.0872192	0.45
160.9407654	1.70
163.2998352	0.31
164.8312988	0.15
169.1360168	1.73
171.1599121	1.27
173.0414276	0.65
174.9910583	0.57
177.1509399	0.43
178.8446655	0.23
183.0465698	0.27
187.1281891	1.48
189.0303955	1.40
191.1532593	0.84
197.0395355	1.26
199.124527	0.33
201.0969543	0.45
203.0359802	1.30
204.2328033	0.33
205.2164764	0.54
209.2239075	0.79
212.8990173	0.55
216.9797363	2.25
220.1026306	0.20
223.2339478	1.12
225.1990051	0.70
226.8478088	0.81
233.2185669	0.39
235.4040833	0.41
237.2683105	0.10
239.4179688	0.38
241.9057617	0.45
245.1901245	2.56
247.2739258	1.87
249.4684753	0.13
250.2552185	0.46
253.2078247	2.22
255.2625732	0.19
257.0541077	0.33
269.2682495	1.02
271.1552734	0.15
278.1195374	0.30
281.2661743	1.78
282.2694397	0.23
283.1766968	0.73
294.2214355	0.30
295.0035706	0.24
297.458252	1.38
299.1541443	0.55
299.8875732	1.33
305.3050232	4.99
307.4553223	0.34
310.1124268	0.34
311.8652039	0.22
313.3128357	2.66
323.2361755	100.00
324.2229614	0.73
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	524.26
Annotation	Calcimycin
Peak:m/z	Relative Intensity
164.098175	0.53
165.1824341	0.52
169.1305542	0.44
235.3926697	0.26
284.597229	0.31
308.1437988	0.40
309.1190186	0.44
343.3924561	0.40
381.3718262	0.78
383.2553711	4.51
399.0699463	0.30
404.5701904	0.18
437.3722534	0.70
441.6992798	0.67
450.1930542	0.23
460.0944214	0.52
468.3430176	0.67
485.1135254	0.68
485.9360962	0.23
488.2908325	0.87
506.2577515	100.00
507.1262207	1.97
508.6140747	0.59
514.4755249	0.61
515.6463013	1.60
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.2499
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
106.810112	0.50
109.0529785	0.46
121.0255737	0.76
122.8916931	0.72
130.842392	0.08
133.073822	0.24
135.0530853	2.03
137.0048065	0.35
143.1021271	0.25
145.0520935	0.21
147.0143433	1.71
148.822998	1.19
151.0827179	0.40
157.0564423	0.31
158.9664001	0.87
161.0271454	0.95
163.4622803	0.54
165.2023315	0.27
172.3381348	0.43
172.9998322	0.16
173.9991913	0.40
175.1130676	2.13
175.9464111	0.41
177.1344604	0.35
180.2161865	0.06
182.4506836	0.30
184.9755859	0.20
187.1391144	1.09
189.2832336	0.16
191.1990051	0.41
192.1052246	0.12
195.0237122	0.21
197.0124207	0.47
203.1610565	0.82
207.0181122	0.16
209.2729797	0.26
213.3440552	0.17
217.1834717	1.00
219.1307068	0.10
223.2436523	0.89
224.8742371	0.33
227.297821	0.44
231.1575012	1.71
236.7768555	0.07
245.1305237	1.15
247.1752319	3.68
251.9838562	0.14
259.6631775	0.41
263.1966553	0.45
269.2230225	0.19
271.1008911	0.11
281.3728638	0.21
285.4476929	0.33
287.3555603	0.45
291.0776062	0.25
295.2093506	0.97
296.1355591	0.21
296.9882507	0.84
299.3522949	1.47
300.0584717	0.38
305.2113953	1.72
313.0852051	0.42
323.2420044	100.00
323.8500366	1.29
341.3088074	2.65
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
212.8235474	1.26
218.9222107	0.04
245.4173279	0.08
296.1396484	1.20
296.8247681	16.26
313.2894897	0.15
323.0913086	0.07
327.1324463	0.07
356.3812866	0.22
370.4666138	0.05
380.5894165	76.28
381.2554932	0.20
386.6210938	0.22
392.8438721	0.15
434.4202271	0.06
435.1076660	0.15
446.5972290	0.06
458.3970337	0.04
460.9674072	0.19
461.9274902	0.19
462.6150513	0.49
463.9317017	11.05
464.5456543	100.00
465.3446655	0.15
476.8013916	0.14
480.7191162	0.23
484.3656616	0.05
488.7123413	0.25
503.0303345	0.56
519.2090454	0.06
530.2236328	0.18
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	341.25
Annotation	(3beta,5alpha,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol
Peak:m/z	Relative Intensity
105.1526642	1.14
106.9512177	0.42
109.0827255	0.50
112.9708862	0.51
118.9399948	0.46
121.0875092	1.43
122.0783691	0.60
129.0027313	0.22
130.9699402	1.22
134.9300842	1.35
138.0610504	0.14
142.8345795	0.47
146.8484192	0.43
149.1159058	3.16
150.688324	0.56
151.3198395	0.52
153.0969543	0.89
154.82547	0.31
157.0962219	2.82
158.9231262	0.49
161.0763855	1.65
166.9303894	0.33
169.0977631	1.15
172.9719543	1.80
175.1381989	0.79
177.1613159	0.74
181.0401306	0.97
182.9293518	0.29
186.9386444	0.88
188.9208984	0.35
191.0083008	0.37
192.3151245	0.27
193.2342834	0.40
195.1307678	0.53
197.6063843	0.88
199.0876465	0.62
202.9736328	0.68
205.2563629	0.61
207.1671753	0.98
211.1866455	0.22
214.5262451	0.93
217.2915039	1.60
223.3294678	0.26
227.2226868	0.20
231.3050537	0.42
235.2425842	0.48
237.1392212	0.20
238.3546753	0.20
241.2238159	0.70
243.3141479	0.57
245.1237183	1.26
247.125061	0.72
249.2229919	1.19
255.247406	0.33
257.2822876	0.43
259.4813538	0.27
261.484314	0.18
262.3129883	0.47
263.507782	0.56
267.0516968	0.33
276.2864075	0.93
277.494812	0.22
281.2794189	1.49
283.2255859	0.59
285.4353638	0.44
295.2341919	2.55
296.3566284	0.39
297.2949219	0.59
299.0384521	1.27
300.0631104	0.84
300.9460449	0.67
305.4604492	7.02
310.0149841	1.29
311.1847839	0.69
313.3948059	0.90
319.0568237	0.95
323.2442932	100.00
324.0318604	1.36
332.8481445	0.29
341.2616272	1.63
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	374.81
Annotation	Unknow
Peak:m/z	Relative Intensity
206.4135590	0.19
207.1106262	0.75
212.8397827	3.60
223.2463379	0.23
254.9871216	1.24
266.9037476	1.01
284.8266602	2.41
286.9206543	0.93
290.6984558	100.00
291.3344116	0.17
314.8645020	13.32
357.0516968	0.82
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	positive
CollisionEnergy	NA
PrecursorMz	311.2211
Annotation	Dihydroalbocycline
Peak:m/z	Relative Intensity
138.6828308	2.24
141.0914001	5.14
154.8979797	4.39
163.3726196	2.72
183.015976	4.39
193.3108978	7.12
196.9900513	6.28
211.1221008	5.26
213.460968	9.75
237.0529175	5.85
239.337677	19.71
253.0417175	8.93
275.2671509	19.66
283.143219	12.57
293.2202148	100.00
END
BEGIN
MsLevel	MS2
Instrument	LTQ-FT (Thermo Fisher Scientific)
InstrumentType	LC-FTICR-MS
IonMode	negtive
CollisionEnergy	NA
PrecursorMz	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
89.0688171	0.05
92.9553757	2.46
113.2402039	0.11
125.0517654	0.19
130.9428101	0.07
136.8845215	100.00
160.9678192	0.44
167.0611267	0.04
181.3268585	0.05
202.9594727	0.07
205.0032959	0.11
205.8591003	0.36
207.0609131	0.09
209.1928406	0.45
210.0895691	0.10
213.0903931	0.06
216.0600586	0.16
218.9552002	0.06
220.0827332	0.07
227.5506287	0.08
237.3559265	0.14
244.1035767	0.15
245.3412170	0.14
253.0386047	1.25
255.0246277	0.69
255.9890137	0.17
257.8074036	0.28
260.9635620	0.21
261.8835449	0.29
263.1723328	0.78
268.0900269	0.19
270.1459656	0.08
271.0460815	0.25
280.0544434	0.08
281.0805664	1.15
282.2006836	0.14
283.2455139	0.04
284.2687378	0.22
290.5092468	0.96
299.2720337	0.38
END