#DEFINITION	Reference Metabolome for Physcomitrium patens
#IDENTTFIER	RefMeta-Physcomitrium patens.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Physcomitrium patens
#CREATION	07-JUN-2023
#PUBLICATION	RefMetaPlant: a reference metabolome database for plants across five major phyla
#JOURNAL	Nucleic Acids Research
#AUTHORS	Shi H, Wu X, Zhu Y, Chen P, Xu X, and Li X.
#COMMENT	Reference metabolome for Physcomitrium patens was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
82.12795	7.7
94.34704	9.1
107.24002	8.9
140.84372	7.5
226.76239	8.7
233.48395	9.6
279.30847	8.6
518.91272	9.1
1001.55859	100.0
1002.58331	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
93.55303	7.0
94.15518	8.2
119.45240	8.8
120.68021	9.2
138.25038	8.0
188.40791	7.7
295.01242	9.6
741.58502	9.5
1001.55341	100.0
1002.55267	10.4
1024.20447	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
72.07768	12.4
75.94865	12.2
76.32027	12.2
83.99759	10.5
125.31270	11.1
142.05624	12.7
147.01216	12.3
167.46709	12.0
169.86096	13.4
210.39774	13.7
225.10585	13.5
229.83818	12.8
300.66672	14.6
1003.56421	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6291
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05479	41.9
81.07047	38.3
85.02892	26.5
91.03967	13.7
91.05476	100.0
91.34000	10.4
92.37820	11.0
93.07043	42.7
95.04980	14.3
95.08612	36.9
97.02886	16.7
97.06565	15.0
105.07025	51.7
107.08598	18.4
117.07045	35.4
119.08591	41.1
121.10117	26.0
124.29554	11.0
129.06973	18.6
131.08578	34.9
133.10185	28.6
143.08531	20.2
145.10133	33.4
171.11674	30.6
185.13274	15.9
201.16331	19.0
203.17836	16.3
207.24744	13.7
267.21066	16.9
269.22748	14.0
285.21967	13.2
339.18332	14.2
359.25613	57.6
361.27267	38.8
364.73407	13.4
367.44830	11.7
416.76718	12.3
632.70801	13.9
674.59473	15.5
679.29822	14.2
740.95844	13.5
987.02954	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.6453
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	35.1
81.07040	55.1
83.07198	4.1
83.08619	7.1
85.02899	25.4
91.03936	8.1
91.05473	93.8
91.71651	8.3
93.07040	46.0
95.04968	10.6
95.08597	48.6
97.02893	10.8
97.06538	12.2
105.07041	61.4
107.08595	18.5
107.91730	5.1
109.10145	18.1
117.07044	27.3
117.85245	4.3
119.08553	52.4
119.09243	5.3
121.10152	22.0
125.09601	5.2
129.05467	14.7
129.07028	12.4
131.08597	27.4
133.10124	26.7
138.23836	5.4
143.08546	7.9
145.04964	7.3
145.10114	19.6
147.11696	14.1
147.80621	5.5
155.08484	6.6
157.10135	8.3
159.11697	11.0
171.11641	14.6
173.13264	9.1
185.13219	12.1
189.16437	9.3
203.17953	25.0
209.65355	5.9
243.21309	6.5
269.22729	25.4
287.23743	23.1
295.36349	6.7
307.41525	5.6
361.27298	100.0
408.77438	6.9
510.27844	5.7
588.41669	5.7
611.36780	6.0
771.36121	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67886	13.5
72.26547	16.5
73.47547	15.5
87.15840	12.6
89.73831	13.2
105.90304	17.1
106.87590	16.0
109.78951	17.4
132.48730	13.9
405.13440	17.7
495.77109	18.0
538.18195	17.4
1009.58521	100.0
1010.59119	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08623	1.6
76.02227	7.9
79.05503	2.7
79.08720	1.2
80.05023	1.2
81.07038	1.7
83.08635	1.7
84.04498	12.8
85.62010	1.0
86.99059	1.7
89.00644	3.9
91.05504	3.5
93.07030	8.9
94.06561	10.2
95.07359	8.3
96.08118	15.6
97.06527	1.8
98.06091	1.6
100.74297	0.9
103.05479	1.2
105.00102	2.0
106.06562	2.5
107.07315	2.3
107.08568	1.8
108.08115	11.0
109.08897	1.2
109.10201	4.7
110.09670	29.2
118.06571	1.3
120.08096	24.8
121.06531	1.3
121.08920	2.1
122.02724	31.0
122.06020	7.4
122.09715	4.3
123.06753	1.6
127.11172	9.1
130.05035	2.2
131.06389	1.1
131.07350	1.8
136.07599	6.0
136.98749	1.1
138.09137	100.0
140.07114	1.1
140.10716	1.3
142.03271	4.2
146.02591	1.0
146.09671	3.5
148.07616	2.4
150.09224	3.5
153.10275	1.2
159.08385	41.3
164.07047	13.4
164.08316	0.9
166.08705	3.7
174.09213	3.9
177.06711	2.6
181.09738	8.0
188.03844	2.5
188.07088	1.8
191.08136	9.2
192.10277	1.8
199.10114	1.1
201.06607	1.3
202.08673	5.7
202.12590	1.5
203.08130	1.7
204.06575	1.4
215.11729	1.1
217.09827	4.3
220.09798	3.8
230.08202	3.7
234.04431	1.7
235.10785	2.5
245.09270	3.3
248.09241	4.7
248.13109	19.3
248.15244	1.3
251.07109	2.0
259.10828	1.7
261.08749	21.9
263.10355	3.7
285.08685	1.8
287.10379	4.2
305.11462	4.7
307.12823	6.9
313.08389	2.2
326.15363	1.4
333.10742	2.4
360.14407	1.3
374.15259	1.2
377.17410	31.3
378.17853	1.5
398.17203	4.3
406.17685	1.9
434.17212	3.9
452.18478	3.4
454.20065	3.7
470.19492	7.4
472.20871	4.8
480.17737	5.5
543.26044	2.0
589.26563	10.3
589.74646	1.2
607.27502	10.7
617.26068	30.0
635.27039	47.5
636.28009	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.601
Annotation	Unknow
Peak:m/z	Relative Intensity
74.07582	17.9
76.09100	17.3
81.94247	16.0
85.02927	27.4
91.19993	18.4
104.51012	20.6
109.98315	16.8
110.09153	19.6
118.38236	18.3
119.89076	17.6
125.49251	18.0
127.90409	18.4
142.17119	22.2
164.22562	18.5
174.04303	20.2
180.48967	21.5
203.97549	21.7
221.97318	22.4
245.77524	20.4
282.79739	23.5
362.93134	23.8
1011.59430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.593
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89331	0.5
71.07359	4.2
86.09699	41.8
93.81597	0.5
96.63170	0.6
98.98457	4.5
103.32780	0.6
104.10741	3.6
124.99996	20.8
166.02667	1.3
184.07335	100.0
220.97676	0.6
400.88516	0.6
500.31451	1.3
518.32440	14.3
590.20996	0.7
861.76416	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02869	2.2
81.03397	5.6
85.02895	100.0
87.04460	25.8
91.03951	5.7
97.02889	24.7
99.04437	3.4
99.64971	1.7
99.92226	1.7
105.05498	8.9
105.41409	1.8
109.02870	8.7
117.87355	1.8
117.88335	1.9
125.87071	1.6
127.03925	25.4
133.97621	1.8
145.04947	40.3
155.07111	2.6
163.04735	2.7
163.05977	13.4
173.08112	2.9
180.08672	3.8
187.67430	1.9
191.09163	11.0
195.61073	2.0
204.08644	5.2
286.96564	1.9
316.95285	2.2
325.11292	46.1
377.98563	2.2
449.58548	2.0
632.36615	2.2
917.28278	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5908
Annotation	Unknow
Peak:m/z	Relative Intensity
78.83265	6.2
81.07048	9.5
85.02892	18.2
86.44785	6.9
91.05473	7.4
91.28444	5.5
93.07080	8.4
95.08579	8.0
97.02879	19.8
105.44481	6.5
127.15553	7.4
166.42636	7.9
201.85855	7.4
312.08633	8.2
329.77582	8.2
405.13312	11.0
465.45706	7.5
527.85742	8.6
540.74817	8.8
577.30145	8.5
1019.58820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.6244
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07359	4.0
72.25596	0.3
74.83682	0.2
77.83385	0.4
80.14207	0.3
81.07046	0.5
85.36810	0.2
86.09698	37.3
87.94783	0.2
89.83447	0.2
95.08589	0.4
98.98470	3.5
104.10736	3.4
111.26160	0.3
114.49733	0.3
118.01238	0.3
124.99995	21.5
156.43280	0.3
166.02650	0.7
184.07332	100.0
185.07664	0.7
199.94806	0.3
242.65903	0.3
244.59875	0.3
266.75482	0.3
384.22379	0.3
432.83368	0.3
444.47556	0.3
461.34842	0.3
502.32602	0.9
520.33972	14.8
861.75049	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.575
Annotation	Unknow
Peak:m/z	Relative Intensity
75.60071	7.1
85.18438	7.2
91.71699	17.3
91.96663	6.9
100.04836	7.3
103.95699	6.3
105.81795	6.6
114.26881	7.7
142.79338	7.2
142.85576	7.2
150.81982	8.8
154.22791	6.9
160.62483	6.7
169.45010	7.7
180.74516	7.6
245.88968	8.5
415.19864	9.6
783.21863	8.4
789.48804	10.4
906.43384	10.4
979.31982	10.9
1027.57458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
83.52823	3.9
85.02880	8.6
90.67368	3.4
110.17068	3.7
120.10597	3.5
156.64581	4.3
175.73480	4.3
502.03668	5.1
515.32318	4.5
527.58038	4.5
730.56238	6.0
1029.28967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.6714
Annotation	Unknow
Peak:m/z	Relative Intensity
72.37576	0.3
77.83440	0.3
86.09695	39.8
87.10011	0.4
95.08599	0.4
98.98462	4.8
104.10729	5.0
124.99992	22.1
140.01097	0.3
166.02684	1.3
184.07326	100.0
185.07669	0.9
198.08864	0.6
229.15538	0.3
490.44373	0.3
502.02768	0.3
502.32867	1.3
520.33942	16.8
521.33795	0.7
534.35016	0.4
574.81866	0.3
661.97375	0.4
688.12695	0.3
861.74091	0.5
1039.67700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.0709
Annotation	HBA
Peak:m/z	Relative Intensity
53.00301	0.3
56.05023	0.4
58.06589	4.0
59.07369	0.6
60.08152	25.1
63.80204	0.3
63.86041	0.3
68.05019	2.3
69.03416	24.9
71.87391	0.3
72.48489	0.3
76.77574	0.3
86.06055	15.8
87.04454	65.2
104.07105	2.8
104.10730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
58.06586	2.6
58.06871	0.1
59.07372	0.7
60.08152	25.2
66.53241	0.1
68.05016	0.7
69.03416	7.0
72.75839	0.1
73.39620	0.2
77.39399	0.1
86.06049	4.9
87.04454	19.9
104.07137	0.9
104.10728	100.0
105.11050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.055
Annotation	(S)-3-Hydroxybutanoate
Peak:m/z	Relative Intensity
56.96544	7.3
60.04506	4.6
60.95850	3.6
65.28995	3.0
69.03425	20.2
86.09711	4.3
87.04460	100.0
88.04810	4.3
105.07031	6.6
114.53325	3.3
120.52802	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
77.20298	5.9
87.04453	14.1
90.27361	6.1
93.51444	6.0
95.59219	6.6
104.10738	9.0
105.12206	6.6
108.60699	6.5
131.60663	6.2
144.41884	6.3
155.07021	100.0
172.32707	8.2
179.42493	7.0
184.07359	18.0
225.44992	8.0
241.10701	14.5
259.11633	11.0
307.53510	8.1
337.25101	7.7
431.19223	8.2
546.22089	9.2
559.48248	10.2
591.80261	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
75.47083	10.0
86.17258	11.0
92.45475	9.7
98.97589	23.8
116.98666	26.2
129.11559	12.3
131.00163	23.9
134.99756	9.9
140.00188	27.8
149.01306	13.6
150.33026	10.6
152.84975	11.6
154.01762	18.4
158.99710	23.2
172.02762	22.7
177.00835	10.4
181.02983	14.3
195.04465	15.2
200.02386	33.1
240.69118	11.1
291.16568	15.7
309.17545	22.4
316.07126	13.2
332.18915	55.5
373.21747	15.4
487.03049	16.4
527.25220	100.0
527.91534	14.3
563.22778	23.8
674.93402	14.0
888.56403	15.1
1008.72351	14.2
1012.99768	17.5
1023.52441	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04476	8.5
86.09692	100.0
87.05596	7.0
101.07137	5.5
104.07711	2.9
119.78480	3.7
141.10236	5.9
154.15898	4.2
155.11758	6.9
158.80345	3.2
168.06821	3.5
183.11359	10.0
183.14969	10.9
186.08760	11.0
187.07167	5.5
200.13985	10.0
204.09918	5.9
211.10716	6.3
211.14433	5.1
228.13376	26.7
254.14902	5.9
277.23343	4.1
341.21783	4.5
398.86740	3.9
414.23431	20.1
485.27261	6.9
555.87531	4.0
639.37866	10.8
850.97034	4.5
1052.58508	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.671
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09701	38.6
92.02292	2.3
94.40271	1.9
98.98466	4.4
104.10747	8.6
125.00002	21.1
158.26973	2.3
184.07333	100.0
187.17062	2.6
221.43004	2.6
240.12737	2.2
240.15399	2.3
346.82742	2.8
360.08524	2.6
520.33752	8.1
544.33740	10.9
757.94183	2.6
1063.68408	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.6712
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05487	0.9
81.07051	1.8
86.09702	57.9
91.05452	1.0
93.07026	0.9
95.08588	1.4
98.98470	4.0
104.10741	100.0
105.11115	1.4
125.00002	27.7
132.82773	0.9
136.00424	0.8
154.42233	0.7
163.01680	0.9
184.07343	82.4
245.01122	0.8
333.62967	0.8
367.24481	1.0
419.10379	1.0
502.32907	3.6
520.34015	27.3
526.32727	1.6
544.33929	28.4
545.34558	1.4
653.67700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.6484
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09718	10.1
104.10738	9.0
113.72002	4.4
136.12006	4.3
169.76640	5.8
184.07442	19.1
209.03940	4.6
217.71577	5.0
359.06894	4.9
387.25357	5.7
533.88373	5.8
539.31799	59.0
540.32178	5.7
563.31866	100.0
756.11627	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
80.32132	3.2
93.07027	10.7
94.06546	8.5
95.07349	8.2
96.08134	17.6
108.08119	14.3
110.09660	28.8
120.08086	32.1
122.06039	7.4
122.09666	4.5
136.07571	6.8
138.09129	100.0
150.09140	4.3
164.07066	13.8
166.08640	8.4
174.09108	6.6
181.09784	6.2
191.08124	6.4
202.08714	5.2
203.08179	4.5
214.47389	3.7
220.09726	7.4
230.08090	8.7
238.28407	3.3
245.09103	3.9
248.09253	5.6
261.08722	22.9
289.11868	3.6
294.15771	4.5
305.11310	3.7
307.12955	5.7
454.19714	5.2
464.37509	4.2
470.19125	7.7
472.20685	6.5
480.17575	4.8
498.18561	5.3
589.26416	17.7
607.27350	11.8
617.26135	30.1
635.27032	40.5
752.23712	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
81.05771	3.0
93.07052	9.3
94.06561	10.1
95.04930	3.2
95.07324	11.9
96.08122	13.8
106.06532	3.8
107.07365	3.3
108.08126	12.0
110.09656	29.5
117.74668	3.2
120.08098	27.9
122.06013	7.9
122.09678	5.3
136.07571	8.2
138.09132	100.0
146.09579	3.7
150.09187	3.7
164.07086	12.9
166.08614	7.0
174.09203	7.5
177.06592	4.4
181.09714	8.1
183.45726	3.5
188.07138	4.3
191.08179	10.9
202.08669	8.9
203.08151	3.9
206.38693	3.8
217.09691	4.4
220.09683	5.5
232.41353	3.7
232.82835	3.2
244.09688	5.6
248.09299	6.7
261.08701	21.2
263.10284	8.1
287.10306	7.6
305.11389	5.1
307.12845	7.6
398.16702	4.2
452.18051	4.0
470.19086	5.2
472.20993	4.9
498.18161	5.6
589.26239	5.6
607.27435	11.8
617.25830	33.5
635.27075	93.2
797.31854	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05464	1.7
80.04985	3.3
81.05785	2.1
85.02892	3.5
89.64074	1.4
90.47507	1.7
91.05496	4.7
91.08700	1.5
93.05745	2.3
93.07040	7.0
94.06556	9.8
95.04932	2.6
95.07339	5.7
96.08122	14.0
103.05503	2.4
106.06533	4.6
107.07336	4.4
108.08130	13.7
110.09676	28.0
120.08112	26.1
121.08891	2.1
122.06038	7.4
122.09657	8.0
124.07552	2.6
131.07309	3.4
136.07576	10.3
138.09132	100.0
139.09480	2.0
142.68796	1.8
146.09622	8.9
150.09134	11.0
164.07060	14.8
166.08597	6.3
174.09154	8.6
175.08562	2.4
177.06601	3.9
181.09680	11.1
191.08052	8.2
201.55675	1.7
202.08708	5.1
203.08145	2.9
217.09741	7.0
220.09665	5.6
230.08131	3.8
233.09378	2.6
235.10962	2.4
243.11243	1.9
245.09152	3.3
248.09100	4.5
257.09256	3.6
259.10791	2.3
261.08679	75.2
263.10367	5.8
271.07108	2.2
272.09039	3.1
285.08636	6.9
287.10272	8.6
305.11279	6.3
307.12997	8.5
313.08096	4.1
331.09314	7.5
333.10706	3.2
363.16785	2.2
398.17133	4.4
406.17566	6.9
427.37729	1.9
434.17004	11.4
452.18283	6.4
470.19052	5.6
480.17587	7.9
500.85577	2.0
543.25763	2.6
589.26453	7.4
607.27399	7.5
617.26050	49.5
635.27094	84.9
636.27411	5.7
779.30951	7.5
797.31787	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.431
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05002	3.9
84.48084	1.4
85.02851	2.2
88.12428	1.7
91.05466	5.2
91.25700	1.2
93.05799	1.5
93.07030	5.6
94.06560	14.2
95.04942	2.8
95.07358	10.1
96.08130	18.2
97.02885	2.3
103.05447	2.0
106.06576	3.9
107.07339	3.2
108.08105	13.8
110.09682	29.5
110.10441	2.4
120.08111	25.6
122.06020	7.0
122.09643	5.8
123.06827	2.2
132.26051	1.7
132.75290	1.7
136.07568	8.6
138.09138	100.0
139.09512	2.0
140.10745	2.1
148.07597	2.7
150.09155	2.5
164.07072	13.9
166.08626	4.5
174.09192	5.2
177.06593	4.3
181.09729	9.9
191.08121	12.1
192.10268	2.4
202.08643	7.5
203.08215	2.3
217.09810	5.3
219.11084	1.8
220.09610	2.4
230.08116	3.6
235.10854	2.1
245.09267	4.5
248.09152	4.7
257.09375	2.1
261.08707	22.5
263.10199	4.0
265.11636	2.2
268.29126	1.9
272.09134	3.3
284.73248	1.9
285.08725	2.1
287.10223	6.4
305.11279	3.6
307.12906	8.7
331.08884	2.5
372.67468	1.8
398.16992	4.0
406.17340	2.5
434.17096	2.2
452.18127	3.0
454.19742	5.0
470.19058	5.6
472.20911	3.0
480.17712	5.2
484.60516	2.4
589.26385	9.6
607.27362	8.2
617.26038	25.8
635.27081	82.6
636.27142	6.9
779.31299	4.9
863.23846	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
87.04457	15.3
122.32898	3.6
126.36653	3.6
155.07019	100.0
173.08095	5.2
207.05811	4.4
231.30295	5.1
241.10730	18.0
254.30276	4.1
259.11749	15.6
297.17798	4.5
327.14481	7.1
345.15427	12.8
436.11252	5.0
524.29761	4.6
709.57996	5.2
1017.00177	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77234	0.4
70.06582	100.0
70.25944	0.4
70.47639	0.4
98.06065	0.9
116.07085	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	Proline
Peak:m/z	Relative Intensity
50.43913	0.4
56.05029	0.4
56.96556	0.4
70.06583	100.0
71.06912	0.6
95.73182	0.4
98.06051	1.0
98.07217	0.4
104.31714	0.4
116.07090	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03931	2.3
55.05254	0.9
55.05505	10.7
56.96548	1.9
57.05799	1.1
58.06580	0.8
72.04507	1.1
72.05334	0.9
72.08147	100.0
76.07549	0.5
77.03943	0.7
95.04963	11.7
96.08149	0.7
100.02461	0.6
105.04520	2.1
118.06539	15.5
118.08680	2.2
123.04042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03936	0.6
55.05505	9.8
55.37117	0.2
57.05801	1.4
58.06572	0.3
71.73164	0.3
72.08146	100.0
96.08154	0.6
97.18560	0.2
118.08644	1.5
129.34299	0.3
132.42979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0854
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.67823	1.6
71.85056	2.0
73.08485	3.2
75.02519	1.8
77.07571	1.7
91.04922	3.1
91.05473	58.4
95.04977	1.8
96.05314	2.0
103.05450	5.5
104.06264	7.2
105.98535	1.8
115.05502	3.9
117.01624	2.0
117.07037	12.2
119.06063	3.3
119.08575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
56.27238	0.4
65.03917	2.1
73.08482	1.2
77.03906	0.9
78.04672	0.8
79.05487	3.9
81.83209	0.6
91.05470	44.2
93.07037	3.1
95.04950	2.7
103.05462	4.7
104.06245	6.3
105.04484	0.7
109.06538	1.0
115.05463	0.9
117.07018	9.2
119.08572	100.0
121.06582	0.7
132.08047	0.7
136.58113	0.6
139.06516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81447	5.6
56.05024	13.3
56.96547	9.4
57.16073	5.3
60.95846	8.5
65.03935	8.3
68.89271	6.9
74.06073	14.1
76.42126	6.4
89.13998	6.5
91.05437	7.8
93.07040	11.4
95.04959	5.7
103.05462	50.4
120.05577	15.3
120.08093	100.0
121.06490	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88196	1.0
70.72752	1.2
77.03899	1.5
91.05460	5.1
91.71709	1.5
93.07030	10.7
95.04949	5.5
96.35113	1.3
103.05460	47.5
104.21518	1.2
118.06509	2.3
119.21466	1.1
120.08099	100.0
136.06340	1.3
138.71288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	p-Tolualdehyde
Peak:m/z	Relative Intensity
50.01586	1.1
51.02345	1.1
53.03941	5.3
55.01858	1.7
62.94307	0.7
64.27795	0.7
65.03938	2.1
77.03911	4.8
81.03400	1.2
91.05470	50.0
93.07032	50.0
95.04956	39.9
102.04679	1.0
103.04437	1.3
103.04740	1.4
103.05457	60.2
105.04515	8.9
118.06531	7.0
121.06494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03453	10.1
58.90445	2.4
59.19634	2.4
68.16058	2.6
80.05004	11.5
81.04533	100.0
122.07145	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.1027
Annotation	(R)-alpha-Methylhistamine
Peak:m/z	Relative Intensity
53.03942	6.3
56.96543	8.1
58.57246	4.3
68.54221	4.9
69.03415	7.5
72.07788	9.9
72.08150	92.8
80.05005	19.0
81.03404	15.6
84.04487	6.6
92.29018	6.5
98.06062	6.3
99.09217	9.1
108.04482	23.3
109.02888	15.7
112.07281	6.0
126.05499	47.5
126.10253	100.0
127.03934	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0499
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
52.02159	0.5
54.66936	0.6
56.05036	5.1
69.54518	0.6
70.06583	15.2
71.04967	1.2
74.08925	0.7
84.04494	100.0
84.08145	1.4
84.66894	0.7
85.02906	3.3
100.21354	0.8
101.84129	0.8
102.05535	1.2
112.08711	1.6
120.97726	0.7
130.04991	13.2
130.05887	0.9
141.87036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0652
Annotation	Quinoline
Peak:m/z	Relative Intensity
56.05016	4.2
56.96525	1.6
57.07031	1.2
69.03399	4.9
70.06567	3.5
75.50388	1.2
84.04494	100.0
84.08125	5.4
88.45129	1.7
100.35812	1.9
103.05453	2.6
104.43834	1.2
112.07603	14.9
113.96424	2.0
130.05087	9.2
130.06522	74.0
130.08620	7.7
130.15889	2.4
138.72078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	L-Pipecolate
Peak:m/z	Relative Intensity
50.07091	0.4
53.00286	0.6
56.05025	1.1
67.05492	0.7
69.03422	30.7
69.07056	3.8
70.06562	0.7
71.04980	0.8
82.06551	1.7
84.04501	6.9
84.08142	16.5
84.67726	0.5
90.94935	0.5
94.06583	0.7
97.56145	0.6
107.83853	0.5
109.65041	0.5
112.07598	100.0
125.90272	0.6
130.04971	0.8
130.08636	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.00289	1.4
56.05016	3.5
56.96554	2.6
57.06802	2.1
57.07066	31.0
65.37347	1.1
69.03402	4.8
70.06573	6.7
74.09711	33.8
75.71918	1.2
84.04494	73.1
84.08116	2.6
112.07591	13.2
114.07523	1.3
130.04997	6.1
130.06509	2.2
130.08644	4.5
130.15909	100.0
139.14532	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
66.70863	0.5
69.07066	3.7
69.39574	0.6
69.57672	0.6
75.84827	0.5
86.09698	100.0
132.10229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
56.96563	4.6
59.93102	2.0
60.17668	1.7
67.70166	1.4
76.43283	1.3
79.05484	22.1
79.05855	1.8
87.10069	2.1
95.04975	10.9
97.02889	2.6
99.56949	1.5
103.05465	18.7
103.05972	1.7
105.07024	100.0
112.01880	1.6
117.96016	4.1
123.08057	30.2
125.52475	1.6
129.34731	1.5
132.13509	1.4
133.06535	90.5
133.07645	25.5
133.10152	4.5
141.98352	1.7
142.13681	1.7
146.09714	4.1
149.70148	1.7
150.80380	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	7.7
69.03406	5.7
79.05446	3.3
87.10013	3.8
88.02155	2.8
91.05463	17.5
93.07002	3.5
97.02904	6.1
105.07026	42.3
117.06980	3.8
117.95959	6.6
125.39754	2.1
131.08583	3.2
133.07690	2.9
133.10120	100.0
141.98329	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.32125	3.4
55.68711	3.7
56.96552	13.5
68.09329	3.9
69.03411	8.6
79.05460	4.6
81.94657	4.4
87.10007	5.7
88.02219	5.4
91.05480	19.9
91.71655	5.3
93.07042	7.7
97.02855	6.2
103.05456	5.7
105.07026	81.0
117.95987	15.9
129.26367	4.6
131.08560	8.3
133.06656	7.0
133.07637	21.4
133.10118	100.0
133.42685	5.2
141.98288	6.8
146.16611	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
56.96542	7.7
69.03406	5.7
79.05446	3.3
87.10013	3.8
88.02155	2.8
91.05463	17.5
93.07002	3.5
97.02904	6.1
105.07026	42.3
117.06980	3.8
117.95959	6.6
125.39754	2.1
131.08583	3.2
133.07690	2.9
133.10120	100.0
141.98329	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.90384	3.0
57.09961	2.6
60.63206	2.9
72.78884	2.6
79.05461	11.7
87.80334	3.1
91.05466	21.8
94.06548	5.5
95.04940	3.9
105.07031	9.8
107.08591	14.1
135.05482	3.5
135.08047	100.0
135.09073	4.0
136.02173	8.1
136.06238	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
55.01862	14.0
56.01182	9.5
56.96544	11.1
58.06599	9.4
64.85857	9.7
67.05492	10.9
69.03405	20.1
69.09615	8.9
70.67361	10.0
71.04980	10.9
79.05489	65.9
89.13409	13.4
91.05491	100.0
93.07044	59.9
94.04519	14.7
95.04964	27.0
105.07020	32.0
107.04946	19.0
107.08578	96.5
109.06517	16.1
115.05441	27.4
117.06963	30.3
129.26700	12.7
135.04442	23.0
135.05457	13.3
135.08069	96.9
135.11690	20.6
136.02167	19.7
136.06151	17.0
150.66821	12.3
154.23392	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
55.01863	12.6
56.96539	13.3
59.79845	10.5
62.08958	11.5
67.05477	10.6
69.03397	13.3
71.47058	10.6
72.73042	11.5
79.05476	49.5
91.05471	93.2
93.07039	42.2
95.04964	15.2
105.07018	45.8
107.04967	26.3
107.08578	100.0
109.06511	16.7
115.05464	29.3
117.07053	22.8
123.33263	12.6
135.04454	17.1
135.05466	24.2
135.08047	98.8
135.09045	16.7
135.11723	14.9
136.02177	29.5
136.06180	14.1
139.77831	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
55.01855	18.9
56.96818	3.2
65.03932	9.3
69.03418	20.0
69.38575	3.3
79.05471	33.8
82.53769	5.9
91.05472	100.0
93.07042	14.6
94.04578	3.7
95.04967	9.1
104.58959	3.6
105.06999	31.9
107.04972	9.6
107.08587	79.7
109.06506	22.3
115.05449	26.3
117.07016	27.7
119.06083	8.6
132.08054	6.5
135.08052	79.6
135.11784	5.3
136.06233	5.0
148.30350	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.85214	2.1
55.57024	2.5
63.14687	3.0
67.85464	2.4
75.85506	2.4
83.01990	2.7
94.04177	16.8
118.94865	3.2
122.03628	25.1
137.04892	4.7
137.05972	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
59.99267	0.5
65.03914	1.5
66.04714	3.6
67.58386	0.5
72.61557	0.5
79.05466	1.6
80.28365	0.5
81.07037	1.6
90.23167	0.6
91.05475	2.1
94.04176	22.1
95.04985	1.0
100.46332	0.5
107.04933	0.8
109.06453	0.6
121.64919	0.5
122.03643	37.2
137.05971	100.0
140.27617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0818
Annotation	4-Amino-5-hydroxymethyl-2-methylpyrimidine
Peak:m/z	Relative Intensity
53.64425	1.0
54.03448	4.5
56.96539	1.1
61.00871	1.0
68.05005	1.2
80.04992	1.2
81.04532	86.1
82.04842	1.6
112.07576	7.0
122.07142	100.0
135.25037	1.1
140.03639	1.1
140.07106	2.9
140.08171	41.2
143.27203	1.2
152.36086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0183
Annotation	5-Formyl-2-furoate
Peak:m/z	Relative Intensity
50.00393	0.4
51.47113	0.3
51.59917	0.3
53.00296	1.7
54.45444	0.4
55.01865	0.7
57.03446	0.7
67.01849	1.5
67.05492	1.4
69.03426	3.3
81.03401	1.4
82.04874	0.7
83.01327	1.0
85.02887	1.7
95.01322	100.0
95.04938	0.6
95.06900	0.8
96.01638	0.5
97.02904	2.9
100.02490	0.5
104.20004	0.5
107.73100	0.5
108.81515	0.4
109.02882	0.7
113.02378	2.2
114.69402	0.5
122.07101	0.6
122.96803	0.5
123.07481	0.9
141.01831	6.2
141.05464	1.5
141.07434	0.8
151.39729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0478
Annotation	4-Methyl-5-thiazoleethanol
Peak:m/z	Relative Intensity
54.61987	1.3
58.06585	7.5
59.07367	4.9
68.05030	1.5
70.06586	6.4
76.77877	1.4
77.30396	1.6
78.17011	1.4
78.79014	1.5
84.04498	1.5
84.08140	1.7
85.02895	5.1
98.06068	4.1
99.02686	2.3
99.04462	2.0
112.02224	1.6
113.02969	28.2
126.03728	20.2
144.04784	100.0
144.06560	3.8
152.43999	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	1,1-Dimethylpyrrolidinium-2-carboxylate
Peak:m/z	Relative Intensity
54.06174	0.4
58.06592	8.5
59.07359	1.3
60.04495	0.8
70.06567	2.2
71.04975	1.7
81.03396	0.7
83.59667	0.5
84.08134	7.6
85.02886	3.6
91.71030	0.5
98.06050	0.7
98.09718	0.5
99.04449	3.8
102.05535	0.9
113.02966	3.3
126.03710	2.6
127.03933	1.1
144.04776	13.3
144.06534	1.6
144.10191	100.0
153.84697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0764
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.05030	3.3
58.74529	0.6
79.51482	0.3
84.04494	100.0
84.08078	0.5
85.02888	1.4
86.51283	0.4
89.44621	0.4
101.07153	3.2
102.05549	4.4
116.70049	0.4
130.04994	33.2
147.07651	1.9
148.06026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1128
Annotation	2,5-Diaminohexanoate
Peak:m/z	Relative Intensity
56.05033	5.9
57.07046	0.4
58.76652	0.4
59.80481	0.4
67.05489	1.5
70.61136	0.5
84.04495	96.3
84.08134	100.0
85.02929	1.2
85.06526	0.6
86.02109	0.5
95.61507	0.6
101.07131	4.0
102.05536	3.6
130.04997	36.2
130.08630	18.9
133.16316	0.5
138.67744	0.5
140.57126	0.5
147.07640	1.5
147.11279	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	31.8
71.96896	3.3
73.30573	3.8
93.03397	8.7
111.04433	7.5
121.02881	45.0
121.04066	7.6
149.02333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Tolylacetate
Peak:m/z	Relative Intensity
56.96543	44.9
57.03437	10.7
61.02922	9.5
63.73252	9.7
67.05484	35.7
69.03426	27.7
70.85270	9.2
73.02908	11.6
79.05488	14.3
81.07035	40.9
91.05466	28.2
95.04977	15.1
95.08604	79.6
98.97575	24.1
105.07023	46.3
109.06492	100.0
112.71034	11.3
120.31734	11.0
123.08057	53.5
133.06493	11.6
143.49330	11.3
151.07544	86.3
159.37891	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Acetaminophen
Peak:m/z	Relative Intensity
50.39674	1.1
54.74756	1.2
56.06988	1.5
56.96538	2.7
57.49075	1.4
62.30938	1.2
65.03927	3.6
76.98920	1.3
79.88684	1.4
82.06582	1.4
84.04509	1.5
91.71001	2.2
92.05008	5.0
93.03492	1.6
106.06585	1.6
108.04482	2.3
110.06035	100.0
111.04420	3.6
121.06554	2.1
134.06096	2.1
152.07045	9.9
161.28934	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	p-Mentha-1,8-dien-4-ol
Peak:m/z	Relative Intensity
53.54773	4.4
55.05485	5.1
56.96550	20.3
60.87312	6.1
64.28639	6.1
65.03922	17.8
67.05500	34.6
69.07066	52.5
71.95254	8.9
79.05494	30.7
81.07030	28.8
83.04941	8.6
93.07044	49.5
95.08604	14.7
97.06523	16.1
107.06126	5.6
107.08601	33.3
109.10123	39.3
111.04458	20.8
111.93674	5.6
112.83725	5.9
125.05995	7.4
134.06013	9.0
135.11697	97.2
135.42880	6.5
136.03964	10.0
153.05467	12.4
153.06586	16.6
153.12755	100.0
156.46133	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	Crocusatin A
Peak:m/z	Relative Intensity
52.81099	3.0
55.01866	4.1
55.05510	5.4
56.96556	4.0
59.04985	5.1
67.05507	19.1
67.05795	3.1
69.03410	6.9
69.07050	17.4
71.04981	27.3
72.93783	54.6
79.05494	7.5
80.51920	3.9
81.07034	16.5
83.04993	4.5
85.06544	19.2
90.94834	10.7
93.07026	5.5
95.04952	17.3
95.08597	36.6
97.06519	100.0
99.04446	56.1
99.83256	3.8
109.06487	23.0
109.10145	15.3
113.96384	46.0
114.09167	14.4
127.07533	5.2
131.97470	8.3
137.05966	6.6
137.09590	15.8
138.01877	5.1
154.99005	54.4
155.07034	12.5
155.10670	60.0
155.99319	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	3.3
56.05051	3.7
56.96571	20.9
58.06591	100.0
58.42973	3.9
59.07376	54.4
60.08161	13.2
61.94842	3.6
69.03423	7.4
69.49435	3.8
70.06586	5.5
70.66647	3.9
72.08151	54.5
72.93780	35.1
72.94094	3.5
73.08492	5.0
81.07066	8.8
83.05006	5.1
90.94828	9.9
95.05009	8.6
97.62315	4.4
97.99202	4.5
109.06580	6.2
109.10999	4.1
109.63601	4.1
110.06039	5.5
110.07206	7.9
111.98511	8.0
113.96418	41.4
126.10304	6.3
131.97458	7.9
132.95862	6.3
137.06029	5.9
138.05539	4.9
138.09155	8.0
153.01146	7.2
154.99025	26.5
155.07108	10.1
155.97502	6.0
173.98557	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
50.16475	0.6
56.05030	1.8
57.12759	0.7
61.93504	0.7
68.00768	0.8
68.05022	1.4
81.04531	1.4
82.05304	3.0
83.06091	12.7
88.91974	0.8
93.04506	9.0
95.06094	7.9
101.27751	0.9
110.07157	100.0
124.42810	0.9
136.69276	0.8
151.84924	0.9
156.04210	2.2
156.07683	10.9
165.92981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1384
Annotation	2-Propanone, 1-[(2R,6R)-6-methyl-2-piperidinyl]-
Peak:m/z	Relative Intensity
53.00295	4.6
53.19126	2.0
55.01869	35.2
56.96557	35.3
57.07054	9.4
57.47026	2.3
60.36512	2.7
64.79030	2.4
68.05021	3.1
69.07050	4.4
72.04507	100.0
74.93165	5.4
74.93839	8.9
83.06124	3.4
85.10194	3.7
90.94832	3.0
97.99190	6.7
99.91942	2.9
102.12814	4.4
105.97214	3.0
110.06041	3.8
115.03983	6.2
115.96440	9.3
118.14284	2.7
128.07085	3.3
139.01852	3.8
153.63716	3.0
156.06418	3.1
156.13843	89.0
156.99078	10.9
169.62247	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.6
55.05513	2.2
56.96561	35.7
57.07068	100.0
58.06599	2.4
60.51804	1.8
72.93770	3.0
74.35419	1.6
74.93135	2.6
74.93811	6.9
75.16605	1.8
86.06075	5.0
91.71432	4.4
93.20377	2.0
97.99197	8.9
98.27283	2.2
100.07600	8.7
108.57248	1.8
110.06045	5.4
113.96410	3.0
115.03918	4.5
115.96460	7.7
118.08686	2.8
128.08170	4.6
131.88901	2.1
133.97556	3.2
137.81047	2.6
139.01817	4.3
144.18382	2.1
154.99019	2.2
155.98840	3.0
156.06578	2.7
156.13828	52.7
156.99048	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.6
55.05513	2.2
56.96561	35.7
57.07068	100.0
58.06599	2.4
60.51804	1.8
72.93770	3.0
74.35419	1.6
74.93135	2.6
74.93811	6.9
75.16605	1.8
86.06075	5.0
91.71432	4.4
93.20377	2.0
97.99197	8.9
98.27283	2.2
100.07600	8.7
108.57248	1.8
110.06045	5.4
113.96410	3.0
115.03918	4.5
115.96460	7.7
118.08686	2.8
128.08170	4.6
131.88901	2.1
133.97556	3.2
137.81047	2.6
139.01817	4.3
144.18382	2.1
154.99019	2.2
155.98840	3.0
156.06578	2.7
156.13828	52.7
156.99048	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
54.68903	5.0
55.05482	7.3
56.05021	9.1
56.96540	7.3
58.06584	19.4
60.08142	23.7
67.83032	5.2
68.05019	14.0
69.03403	18.0
69.07040	9.9
70.06580	57.8
72.04498	12.2
72.08128	19.7
74.60284	4.8
81.03381	8.4
84.04500	86.4
84.08121	19.2
85.02883	23.8
86.06078	8.2
87.04477	6.2
94.06590	6.6
98.06042	36.5
98.97589	8.6
100.07595	5.8
112.07592	64.1
114.05510	14.5
116.07090	42.8
122.06001	6.0
125.54082	5.9
129.26639	5.4
130.08647	23.4
140.07072	42.9
141.77081	5.5
158.08113	100.0
158.09401	13.9
158.11708	13.2
158.15382	17.5
158.89743	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
51.04919	3.9
55.05500	9.3
56.05022	10.1
56.96565	33.9
57.18909	4.5
58.06593	51.5
60.08150	31.4
62.71598	4.5
64.40331	4.5
67.05492	6.1
68.05012	14.5
69.03419	21.8
69.07063	10.6
70.06586	40.2
71.04963	8.9
72.04504	14.5
72.08146	19.0
73.05294	6.5
74.06081	7.5
81.03411	5.3
84.04492	94.5
84.08158	13.3
85.02896	24.4
85.06528	8.4
86.06037	12.7
87.04477	6.0
89.53689	5.2
94.06534	9.8
98.06055	37.2
98.97575	41.0
101.04791	7.8
112.07587	73.7
112.11238	7.0
114.05505	29.3
114.12798	9.2
116.07101	39.9
116.98615	33.4
130.08664	14.2
130.34695	5.3
134.99654	23.6
140.00159	37.4
140.07050	33.2
158.01273	26.4
158.08121	100.0
158.09361	11.5
158.15421	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51411	3.3
61.26683	3.9
63.95980	3.5
68.05083	3.6
68.18945	4.0
69.07912	3.3
70.06583	100.0
70.06937	6.8
71.04993	6.2
82.51680	3.0
105.19764	3.6
112.08725	59.5
113.07157	4.4
116.07143	16.4
118.33571	3.4
126.64175	3.6
134.19191	3.8
158.09239	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0764
Annotation	4-Methylene-L-glutamine
Peak:m/z	Relative Intensity
54.25879	0.9
57.03404	1.0
58.06579	1.1
58.08242	1.0
60.08153	2.0
63.43628	1.0
68.05025	1.2
69.03436	1.1
70.06582	100.0
72.08142	3.2
79.33488	1.0
84.08160	1.4
85.02875	1.9
86.06062	4.0
96.04440	1.3
99.04423	1.2
113.07121	30.2
114.05527	7.3
115.08689	2.5
116.07061	1.9
119.94550	1.2
149.63953	1.1
159.07559	5.5
159.14928	1.9
165.63527	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.81537	1.7
57.03419	2.1
57.11011	1.4
58.06586	2.9
59.07361	2.0
61.08883	1.6
63.02377	3.3
69.03393	6.2
79.05486	11.4
85.02900	4.1
89.03908	83.0
91.71651	3.3
95.04920	5.6
96.71744	2.4
107.04954	14.6
109.12969	1.7
117.03372	54.1
119.06660	2.5
123.77821	2.2
130.06560	2.9
135.04410	100.0
139.44939	1.9
145.02861	21.3
145.03960	3.0
147.55995	2.3
158.06026	11.3
161.86189	1.7
163.03897	89.3
173.59642	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	2-Hydroxyadipate
Peak:m/z	Relative Intensity
50.69956	1.0
53.00301	1.4
53.03933	3.9
55.01867	20.1
56.05032	1.8
56.96537	1.4
57.03162	1.7
57.03430	26.7
61.02919	13.5
66.49258	1.3
69.03422	88.3
70.06593	6.7
71.01334	2.9
71.04978	6.0
71.06908	4.9
73.02902	12.5
74.06027	1.7
75.04458	2.9
81.03419	9.8
83.01328	3.6
83.04964	2.9
84.08924	2.1
85.02898	100.0
87.04473	3.7
91.02131	2.1
97.02888	23.6
99.04447	15.0
101.02380	16.5
103.03897	2.2
109.02879	3.7
115.03920	2.1
117.05496	6.2
127.03909	14.5
136.31497	1.5
145.05008	1.7
163.03914	5.3
163.08678	4.3
173.55208	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
55.05493	10.7
58.06603	34.5
59.07363	18.3
60.08145	6.6
67.05488	13.8
69.03402	11.2
69.07051	28.0
71.40162	5.4
72.08129	8.3
78.96220	4.5
79.00827	5.2
79.05479	26.7
79.78084	5.9
81.07047	72.9
83.08610	9.0
86.09683	15.8
91.05482	12.9
93.07034	55.0
95.04939	6.2
95.08588	40.8
107.08579	100.0
114.12827	12.9
121.10148	41.9
122.09670	19.1
135.11649	13.0
137.32416	5.8
154.12218	6.1
163.03714	7.6
163.14816	86.6
164.07150	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25373	0.7
52.58195	0.7
52.64970	0.6
55.79700	0.8
56.05028	63.6
60.07841	0.7
63.02698	1.8
74.02427	23.9
74.06067	29.1
82.01447	0.9
84.04494	9.6
85.02889	2.9
100.02485	4.7
102.05531	100.0
104.01923	0.8
107.48182	0.8
115.14061	0.8
118.03558	1.4
119.01910	1.8
123.04028	5.0
141.05086	2.6
142.03506	1.8
164.06876	1.4
165.05048	2.1
181.98546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05172	1.9
55.05480	2.9
56.05025	3.5
56.96545	8.0
58.06311	5.6
58.06593	100.0
59.06928	4.9
59.07157	1.9
59.07378	25.7
60.08169	3.5
64.65152	2.0
68.02626	3.3
68.05015	2.2
69.03415	19.9
70.03773	4.2
72.08148	49.0
73.08483	2.9
74.02425	2.7
75.25114	2.6
81.03391	3.4
82.06564	2.8
85.02893	4.7
86.03179	3.3
86.06061	2.5
86.09700	28.1
89.10783	3.7
91.05496	3.6
94.06594	4.5
95.04965	8.3
96.04509	7.2
100.02444	3.4
100.07623	4.7
102.05520	2.5
108.08111	3.0
110.06020	5.4
119.01909	10.1
119.04942	3.7
121.06531	5.3
122.06033	4.1
123.04402	9.4
123.44183	2.6
142.03465	12.0
146.08194	5.2
147.04399	2.6
154.12277	3.2
164.07045	11.4
164.08209	6.7
165.05099	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.03916	3.8
67.05489	1.0
69.03421	1.2
71.08199	0.9
74.46626	0.8
84.08160	0.9
90.04529	1.0
91.05467	36.6
95.04961	3.6
100.02455	1.0
101.00870	3.1
101.02545	1.4
119.01911	18.9
119.04931	48.0
121.06462	2.4
123.04391	1.9
124.02438	2.2
124.04060	1.3
137.02977	3.2
137.05998	1.4
141.05101	1.0
142.03477	22.0
147.04402	100.0
150.66299	1.0
156.31625	1.0
160.04568	4.6
161.81818	1.2
165.05104	26.4
166.05289	1.1
181.36714	0.9
183.06215	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10003	0.8
65.03920	2.7
86.04196	1.0
91.05473	33.9
91.71637	1.2
95.04953	2.7
101.00838	2.2
101.02518	1.4
107.73773	1.0
110.34998	1.0
119.01925	14.0
119.04935	51.7
121.06495	2.1
123.04392	1.8
124.02475	2.7
124.04082	1.0
137.02962	3.3
141.05157	1.0
142.03487	17.0
147.04404	100.0
160.04547	3.5
165.05128	20.0
179.90814	1.2
183.06157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
50.73722	1.7
57.03437	2.1
58.06604	4.7
58.38228	1.4
59.07406	1.9
59.28438	1.7
61.38218	1.7
65.55083	1.6
69.03442	7.8
77.91573	1.9
79.52419	1.8
85.02920	2.0
91.05482	21.2
93.07050	3.1
95.04962	76.3
103.05498	2.5
105.04581	2.2
106.65986	2.0
109.06548	6.0
119.01932	12.8
119.04932	44.2
121.06571	7.5
123.04424	100.0
137.03009	3.2
137.05965	3.9
142.03519	19.1
147.04419	14.6
147.09203	3.1
151.62816	2.1
160.04483	3.2
165.05150	16.1
165.07518	2.3
165.10265	6.4
183.06282	2.6
184.88101	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64927	0.9
58.78039	1.1
65.03928	3.5
65.89754	1.0
79.90761	1.0
79.99645	0.9
80.78337	1.0
91.05470	33.6
95.04961	5.1
99.77364	1.2
101.00890	2.6
119.01908	15.5
119.04940	55.6
121.06529	2.6
123.04444	5.9
124.02463	3.6
124.04158	1.9
137.02968	5.6
142.03496	17.6
147.04407	100.0
160.04515	2.9
165.05095	21.1
183.06209	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
58.65536	0.9
60.08140	1.6
65.03922	2.5
66.60747	1.0
73.45922	1.0
74.19187	1.0
91.05471	32.9
92.43009	1.2
95.04953	1.8
101.00884	2.6
101.02596	1.3
105.09163	1.1
119.01916	10.4
119.04935	50.4
121.06516	2.0
123.04388	1.8
124.04147	2.0
137.02960	2.1
137.05927	1.3
142.03497	12.6
147.04402	100.0
160.04565	2.2
165.05132	14.7
183.06146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27195	1.0
58.98537	1.0
61.22963	1.2
65.03932	3.9
67.05450	1.8
69.03416	2.1
91.05468	33.9
95.04948	3.6
101.00886	3.9
101.02570	3.0
110.03339	1.3
115.51409	1.4
118.15247	1.3
119.01918	18.9
119.03618	2.3
119.04939	49.9
121.06510	3.6
123.04381	4.5
124.02439	3.9
124.04082	2.1
137.02950	3.5
142.03491	18.2
147.04405	100.0
158.37376	1.3
160.04553	5.2
165.05106	23.2
183.06168	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.57091	0.3
50.91709	0.3
51.41377	0.3
51.65387	0.3
51.95978	0.3
53.39722	0.3
60.85768	0.3
70.06576	0.3
79.05476	0.9
91.05463	1.1
93.07038	2.4
95.04936	0.8
103.05460	12.1
107.04940	1.9
114.56564	0.4
118.06488	0.5
120.08095	100.0
121.06491	1.0
121.08409	0.4
126.42020	0.3
131.04889	1.7
166.08638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.04883	2.8
55.05492	13.2
56.96562	6.7
57.07071	2.8
57.17926	2.8
59.04978	4.7
67.05502	4.8
69.03405	3.8
69.07061	50.3
72.17635	3.4
72.95169	3.3
78.58357	3.6
79.05478	14.1
81.04546	4.1
81.07049	15.0
81.61376	3.8
83.04971	4.0
85.80154	3.3
91.05472	14.8
93.07036	72.9
95.04965	11.9
95.08585	13.3
97.06535	8.0
103.05481	5.6
104.05809	4.1
105.07023	19.3
107.08575	4.2
111.11704	8.6
119.08713	4.1
121.01681	15.0
121.06501	15.1
121.08473	3.9
121.10143	100.0
122.06004	5.8
122.06824	41.5
123.08095	5.5
139.09779	4.7
144.03252	14.9
149.09612	8.9
153.96461	3.6
167.04817	24.0
167.08247	5.2
167.10690	34.3
167.12671	3.7
180.17715	3.4
183.24011	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.9641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.6
59.50961	1.4
67.92504	13.5
67.93555	2.0
69.75732	1.2
81.03410	1.5
82.94834	9.5
94.07400	2.2
97.60401	1.4
99.05579	1.6
100.02460	1.7
100.95879	2.3
102.02216	2.7
103.00641	6.9
108.95105	2.9
118.95319	1.5
120.01968	2.5
120.03319	1.9
121.01663	57.0
121.02496	3.5
121.99485	1.9
122.02020	6.1
122.06068	1.9
122.06864	6.6
123.97435	20.8
124.40966	1.5
125.03786	2.8
125.06940	1.4
125.95383	3.7
126.02171	10.2
126.05481	1.7
126.93793	2.3
130.87735	1.5
139.02696	16.0
143.03598	4.2
143.04811	3.5
144.03221	66.9
144.94821	2.4
145.03517	9.0
154.32614	1.6
154.93536	1.4
162.04253	11.7
162.95842	2.5
163.04659	3.1
165.00121	1.8
166.05238	3.9
167.04817	100.0
167.19215	1.5
167.96431	4.5
168.02507	2.9
168.05177	19.7
168.06526	2.1
185.05959	10.8
185.97638	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.102
Annotation	Norpandamarilactonine A
Peak:m/z	Relative Intensity
54.99128	0.8
56.96550	2.7
57.42115	0.9
67.05471	1.5
69.03403	1.3
71.16805	0.9
79.05473	1.0
81.03388	1.4
81.07019	1.3
83.04969	1.0
94.06535	2.1
95.04925	1.4
98.06023	1.1
101.26218	1.0
108.08135	1.2
109.02871	2.8
110.06032	2.2
122.06036	2.0
122.09692	1.0
123.07047	1.1
124.07584	2.6
125.08354	5.0
126.05505	1.6
127.03890	6.7
136.07553	16.0
138.04482	1.9
138.05490	26.1
150.09100	1.6
152.07063	3.1
153.07838	39.0
153.09088	1.8
167.99728	1.1
168.06538	4.1
168.10181	100.0
172.72908	1.0
179.81818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1383
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
53.00300	3.2
55.01859	2.3
55.05515	18.0
56.53124	1.9
56.96561	5.6
57.07075	6.7
58.06641	1.8
58.64857	1.8
67.05519	6.0
69.03429	5.9
69.07059	100.0
70.06576	17.4
70.25779	2.2
72.88040	2.3
81.03435	4.4
81.07053	2.8
82.52670	2.1
83.04987	8.1
84.08159	8.4
85.69797	2.4
86.09696	66.3
86.10184	3.5
94.06629	2.9
100.07603	20.2
100.08120	2.3
107.82500	2.2
109.02909	6.4
112.07607	29.9
122.06098	6.7
123.07082	3.6
126.05536	5.1
127.03907	13.0
136.85446	2.6
140.07104	2.8
147.23666	2.5
150.09164	3.1
168.06630	9.9
168.10204	5.7
168.11540	4.1
168.13843	48.0
181.12634	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	16.3
56.96549	32.4
58.18013	7.4
65.75382	7.6
67.05494	30.1
69.03434	11.5
69.07069	9.8
69.39832	7.1
71.04989	7.2
71.88943	7.5
75.22115	8.1
79.05460	11.1
81.07040	82.2
82.86438	8.5
86.45174	7.9
87.89394	7.8
91.05468	79.2
95.04951	100.0
95.08565	7.7
96.87485	8.1
99.04475	12.1
109.02884	13.7
109.06511	72.7
111.04467	11.5
119.36047	7.5
119.84652	9.7
123.04418	13.1
123.08022	14.7
146.00845	9.9
151.08669	12.4
152.03441	27.4
154.48392	9.0
155.07040	10.3
169.05013	17.5
169.07545	15.7
169.97734	17.1
184.20619	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	1,2-Campholide
Peak:m/z	Relative Intensity
53.03936	1.6
55.05510	3.8
55.93525	2.2
56.96556	7.5
57.07069	9.0
61.26958	1.1
62.34020	1.3
63.21732	1.2
65.03935	1.2
67.05489	17.9
67.05782	1.5
69.03435	3.4
69.07077	4.3
71.04993	3.8
73.75747	1.2
77.60227	1.4
79.05500	2.5
79.76414	1.3
81.03431	2.9
81.07067	6.7
82.06545	1.5
83.04998	3.5
83.08620	4.4
91.05450	2.2
93.07071	4.2
95.04981	3.3
95.08633	1.9
99.04472	1.7
109.02896	2.5
109.10143	67.5
111.04458	5.0
111.08067	100.0
123.04402	2.0
123.08108	2.4
123.11752	2.6
127.11182	90.2
128.01643	1.7
128.95218	1.6
151.08678	3.0
151.11229	2.9
152.03436	5.7
152.07089	2.1
169.04984	2.8
169.07651	5.0
169.12187	13.7
169.97824	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93507	22.3
56.96554	10.7
57.03436	6.2
57.07071	45.4
58.06598	40.7
59.07364	30.5
60.08153	16.1
68.84466	6.2
69.03422	8.1
69.07063	46.9
77.84600	6.1
80.85124	6.3
84.04498	66.7
85.06534	28.5
86.09701	100.0
102.09177	15.1
110.06033	14.6
111.98470	13.1
112.35658	8.0
114.09193	8.6
114.64263	6.8
124.07584	14.6
125.40450	7.2
128.95096	13.9
130.05000	20.9
134.06009	8.7
146.96136	12.4
152.07072	35.8
153.01025	6.8
153.37943	7.8
163.03947	13.4
169.97736	72.7
170.08121	37.1
170.09424	10.4
170.15424	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09757	5.9
51.30489	4.5
53.00298	14.0
55.93509	18.9
56.96553	18.5
57.07074	36.3
58.06593	60.6
59.07376	35.1
59.07604	5.2
60.08138	13.4
67.83451	5.0
68.19147	5.3
69.03420	12.1
69.07111	4.9
72.08147	13.7
79.13762	5.3
80.04984	6.4
81.07052	8.8
84.04500	78.8
85.10172	100.0
86.09696	28.5
88.96902	5.5
96.08127	9.1
97.06486	8.4
108.75729	5.3
124.07555	9.2
128.95099	23.4
130.05017	13.3
134.06044	16.8
142.08566	6.8
152.07053	29.1
169.97720	48.0
170.08160	37.2
170.15472	5.9
181.02983	6.6
187.12331	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.8
56.96543	4.0
60.11423	1.1
70.36907	1.3
72.04510	100.0
73.02894	2.3
83.08610	23.5
84.04517	7.5
85.24907	1.3
89.07146	61.9
97.65905	1.2
98.97579	1.3
130.04994	3.7
171.13438	2.7
171.14917	54.9
181.98024	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.8
56.96560	88.2
57.03415	19.0
57.07064	11.6
61.02910	12.2
69.03397	13.0
71.84053	4.3
72.93781	6.2
73.02895	19.8
74.06046	5.2
76.04523	4.9
81.03442	6.6
83.04997	6.1
84.04492	6.8
85.02896	23.8
85.04834	7.0
88.11267	5.7
97.02868	12.5
97.99177	7.9
98.06035	9.9
98.97562	25.4
102.09173	69.6
109.02852	6.6
113.96377	6.6
116.98598	20.3
126.05540	6.0
126.09145	9.6
128.98627	6.2
133.89366	5.3
139.01820	11.3
140.00191	27.1
144.54245	5.6
152.00154	5.4
158.01295	10.8
172.09714	7.6
172.16940	100.0
181.02855	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05492	25.1
56.96546	19.1
57.03411	7.0
57.07059	9.2
60.08149	31.6
67.05489	13.2
69.07092	7.6
71.04984	9.2
74.06046	10.0
75.41372	8.9
81.07055	8.2
83.04984	18.7
84.04501	10.8
86.09712	14.2
88.07616	28.7
89.07945	13.9
90.90415	8.2
91.05443	12.7
101.06018	20.0
102.09148	12.6
103.09481	8.3
103.92789	8.0
111.04427	26.7
119.08568	11.5
129.05489	12.3
129.06996	12.1
131.08533	73.8
135.65601	7.5
143.08556	18.7
144.09268	11.9
145.10147	17.2
155.06993	16.0
158.10936	32.2
172.16983	32.7
172.97861	10.0
173.08136	24.7
173.13258	100.0
173.17517	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	2.5
54.99832	1.8
55.01866	2.1
56.96542	8.9
57.03411	2.0
57.07066	20.6
58.06579	4.2
62.05817	2.2
62.06076	22.9
70.06573	5.6
71.08624	17.7
82.06509	1.9
91.05441	2.7
98.98449	2.8
128.07072	2.5
139.01726	2.8
153.71713	2.5
156.17447	8.8
157.67494	2.6
163.92477	2.5
170.88548	2.4
174.18518	100.0
178.77554	2.7
179.52730	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1077
Annotation	N-Acetylornithine
Peak:m/z	Relative Intensity
51.27515	0.5
55.05488	0.9
56.05026	3.7
60.05640	33.2
63.77301	0.5
68.05021	0.6
69.03410	0.8
70.06582	90.4
71.04982	1.7
71.06894	0.7
72.04501	1.8
72.08144	9.3
76.27392	0.6
83.06081	1.0
84.04493	100.0
85.02901	3.5
91.99177	0.6
95.01286	0.9
97.11562	0.5
98.06052	1.3
102.05536	2.2
111.09173	1.6
112.07559	1.9
112.08723	4.2
113.07108	1.1
114.05522	1.5
115.05864	2.0
115.08672	1.2
115.12887	0.7
116.07084	24.9
129.10249	16.2
130.04994	12.3
130.08627	4.1
130.09743	11.2
157.10832	1.1
158.08115	55.2
158.09259	5.0
175.10681	4.0
175.11951	19.6
176.97003	0.7
179.54118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
56.96549	15.5
57.41930	4.6
60.05640	13.2
63.24497	4.0
67.05495	9.3
69.07053	4.4
70.06576	28.8
73.45335	5.2
81.98120	4.8
91.05472	52.1
93.07019	5.5
97.67699	6.2
105.07027	62.6
105.97651	5.5
106.06274	4.9
116.07088	6.4
117.06970	6.6
119.08580	91.1
129.06998	37.4
131.08566	51.2
132.47424	4.8
133.10133	28.3
140.00177	6.7
147.08070	6.2
147.11749	15.8
157.10133	15.4
175.07434	6.1
175.11151	100.0
175.14717	5.7
181.02815	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Arginine
Peak:m/z	Relative Intensity
53.41753	0.8
60.05638	31.4
70.06581	100.0
72.08166	3.3
105.80011	1.0
112.08784	3.0
113.80213	1.0
115.86885	1.2
116.07079	23.5
129.74083	1.2
130.09763	13.0
142.07216	1.2
154.36734	1.1
158.09247	6.6
160.77229	1.2
175.10497	2.6
175.11894	20.9
175.13242	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05347	2.0
60.05643	34.7
67.99657	1.1
70.06583	100.0
72.08132	2.9
76.15976	1.0
96.11744	1.2
97.85885	1.1
100.30017	1.2
102.32676	1.1
112.08712	4.1
116.00202	1.2
116.07090	22.4
130.09752	10.3
155.71352	1.2
158.09219	7.5
159.14262	1.2
168.76721	1.3
175.11913	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
53.35225	0.8
55.33170	0.9
56.96561	1.1
60.05641	28.9
70.06584	100.0
72.08151	3.3
80.40871	0.8
98.98450	1.0
112.08740	2.8
116.07092	23.2
119.08543	1.0
127.93143	1.1
130.09756	9.2
157.10951	1.2
158.09261	6.5
175.08760	1.0
175.11913	22.0
175.13309	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01542	0.8
50.19404	1.0
50.36222	0.8
56.96557	1.4
60.05344	1.8
60.05641	35.5
66.67267	0.8
70.06583	100.0
71.04988	1.1
72.08137	4.8
72.23188	0.9
112.08737	2.7
115.08769	1.0
116.07084	27.0
119.72619	1.0
130.09743	10.7
156.38707	1.0
157.10808	1.2
158.09218	7.4
175.11906	22.9
175.34180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Arginine
Peak:m/z	Relative Intensity
52.76188	0.7
60.05640	35.5
70.06581	100.0
71.04984	1.5
72.08155	3.9
85.09415	0.7
111.81100	0.9
112.08753	3.3
115.93210	0.9
116.07082	24.5
116.07863	1.4
117.10268	0.9
130.09760	11.0
130.96101	0.9
157.10870	1.1
158.09227	7.1
175.11891	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.119
Annotation	Arginine
Peak:m/z	Relative Intensity
54.51193	0.8
59.64412	0.7
60.05641	38.1
60.05940	1.9
63.33518	0.6
70.06583	100.0
71.04975	2.3
72.08160	4.0
80.56370	0.8
84.08167	0.8
85.27546	0.8
96.67344	0.8
112.08729	4.4
116.07082	25.5
116.07841	1.4
123.26460	0.9
124.81660	0.9
130.09761	9.5
132.46860	0.8
145.70520	0.9
157.10834	1.7
158.09219	6.5
175.11893	20.0
175.13263	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92521	10.6
55.05499	17.8
56.96557	74.5
59.33418	10.4
60.05629	12.0
60.25615	12.3
62.61230	9.8
67.05487	16.4
69.07060	29.8
69.30322	9.5
69.98447	10.1
70.06576	85.3
74.53450	10.3
76.55053	12.8
81.07052	28.1
91.05451	18.9
95.08612	28.1
98.97551	15.6
98.98501	19.7
105.07034	41.5
105.84352	11.8
111.59123	12.1
117.33346	14.1
119.08562	100.0
133.10121	77.4
140.00153	16.4
150.85229	12.9
158.01253	35.2
171.23825	15.4
175.02866	16.3
175.07458	17.0
175.12053	20.8
175.14832	92.9
181.02844	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05498	4.7
56.16629	1.8
56.96545	4.2
60.05634	5.5
63.12192	2.2
67.05500	3.6
69.03445	2.1
69.07047	8.1
70.06579	14.9
72.06265	2.0
73.33918	1.9
79.05466	2.4
81.07047	22.8
91.05473	9.6
91.70994	3.9
92.84800	2.0
93.07019	6.2
95.08598	16.5
105.07020	24.1
107.08586	6.1
116.07083	4.1
118.05054	1.9
119.08575	48.1
120.49854	2.8
131.08588	5.0
133.10126	100.0
145.10155	2.7
147.11650	6.6
158.01242	2.7
169.96738	2.0
175.11986	3.2
175.14810	56.3
175.16365	2.9
175.18898	13.5
181.02803	2.5
191.34303	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.9
56.96557	6.8
60.05637	6.1
60.13126	3.4
65.04739	3.1
69.07050	24.8
70.06568	16.3
70.06892	3.0
70.86296	2.9
81.07044	9.1
83.08591	6.9
91.05469	12.5
93.07056	4.5
95.08598	10.2
98.98479	7.4
102.61015	3.5
105.07049	27.1
107.08588	6.7
119.08576	71.9
133.10130	70.8
143.53735	3.7
145.10098	6.6
147.11700	7.7
158.01244	6.4
175.11784	4.1
175.14809	100.0
181.02794	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	8.3
56.96544	6.8
60.05632	11.4
60.83572	2.5
67.05508	3.5
69.07063	22.1
70.06582	21.9
79.05490	4.2
80.90341	2.1
81.07057	13.1
82.95071	2.2
83.08621	4.8
91.05486	19.2
93.07022	4.8
95.08607	7.3
98.98489	4.7
102.22646	2.4
103.05464	2.8
105.07030	31.8
107.08598	5.7
116.07086	7.0
117.07006	4.9
118.56284	2.5
119.08582	80.5
121.10101	2.8
125.87297	2.4
129.07060	4.4
129.16194	2.5
131.08575	4.9
133.10126	69.8
145.10109	4.6
147.11694	12.9
158.01300	3.2
174.97688	2.8
175.11392	4.6
175.14809	100.0
181.02837	4.1
188.84035	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.61333	2.6
51.38644	3.1
53.03510	3.2
53.53956	3.3
55.05506	9.0
56.96570	13.0
60.05397	4.4
60.05636	24.8
62.56281	3.7
67.05510	3.9
69.07056	31.5
70.06583	74.9
70.06932	4.0
72.08127	3.1
72.23679	3.6
74.87920	3.7
81.07066	6.8
84.04512	3.7
87.84792	3.7
88.68094	3.3
91.05502	13.2
93.07080	5.0
94.11334	3.5
98.97604	7.2
98.98490	7.6
105.07018	24.9
106.25398	3.8
107.08600	4.8
111.04469	4.4
115.85384	3.3
116.07104	16.6
119.08569	97.0
119.09341	6.5
121.10110	4.1
130.09808	5.6
131.08574	4.8
133.10115	68.3
134.99632	6.7
140.00237	4.7
145.10165	8.4
147.11720	13.4
158.01294	8.3
158.09294	4.9
160.94727	4.0
175.12048	13.6
175.14790	100.0
175.16129	6.0
181.02913	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06428	0.7
55.01854	1.4
57.03192	1.1
57.03425	11.4
59.65320	0.8
61.04036	10.8
67.01848	3.0
69.03422	8.9
70.06577	3.6
71.01357	1.1
71.06916	2.1
73.02905	1.6
74.02425	2.8
81.29189	0.8
83.01325	3.1
85.02893	39.2
85.04810	1.1
87.00797	1.2
87.38646	0.8
91.71120	1.0
95.01318	100.0
97.02866	9.3
111.00779	6.6
113.02354	8.7
113.07106	0.9
117.02996	1.4
119.40739	0.9
120.71648	0.9
123.86418	0.9
129.01843	12.2
130.08536	1.0
141.01820	14.1
190.02686	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.35332	9.8
55.01851	10.3
56.62450	10.3
56.96549	52.5
67.05474	10.7
69.07063	12.4
73.25002	10.2
89.03911	93.9
95.04926	15.8
95.08589	14.4
98.97583	55.1
112.34199	10.9
116.98621	50.7
117.03400	80.4
121.06458	17.6
131.01901	16.5
134.99661	29.1
135.25804	13.6
140.00214	51.4
145.02853	82.3
149.05988	53.8
154.03535	13.9
158.01256	46.9
158.06056	44.9
177.05231	63.0
177.06670	19.1
181.02846	73.8
182.03177	20.2
186.05486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0911
Annotation	5,6,7,8-Tetrahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
50.72890	6.2
53.77901	6.4
56.12014	6.4
56.96549	18.3
59.35482	6.6
70.19375	5.7
73.66849	6.8
84.40282	6.7
91.05483	36.0
93.07031	16.3
95.82925	7.8
105.07006	18.6
117.07033	21.3
119.08544	14.6
121.06529	13.1
121.10156	17.1
131.08568	100.0
133.10129	8.9
135.08051	20.3
137.09616	11.4
159.08022	9.6
177.05365	21.2
177.08994	41.3
177.12794	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1273
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
54.97735	1.2
57.07066	1.2
63.85564	1.2
69.03405	1.7
77.03934	1.4
79.05478	2.5
88.89149	1.7
91.05463	22.0
93.07010	4.3
94.30747	1.6
95.04949	1.8
103.05403	2.2
105.07017	16.3
107.08585	4.0
109.10139	5.1
115.05469	1.8
117.07003	7.1
119.08575	59.7
121.06528	2.1
121.10146	4.8
122.07266	3.7
129.06865	1.8
131.08540	4.6
133.10117	20.7
134.10902	6.2
135.08032	16.1
136.08865	1.7
137.09607	49.6
142.07722	1.5
144.09308	2.9
147.09200	2.1
149.09619	8.1
149.13257	13.2
159.11676	3.1
161.09612	16.3
166.75868	1.6
168.20944	1.5
177.12732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.14748	5.8
54.41181	8.8
67.05466	7.6
81.43909	7.4
91.05479	26.9
104.96806	6.9
105.07025	12.3
107.43214	6.5
119.08587	59.8
133.10109	16.7
135.08064	10.0
137.09595	55.8
149.13255	24.0
161.09587	15.0
177.12730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	Phenmetrazine
Peak:m/z	Relative Intensity
53.03942	2.7
56.96558	14.9
57.20514	2.2
64.66992	2.5
65.11758	2.3
65.79057	2.4
71.04932	3.3
79.05498	13.8
84.36526	2.3
91.05448	2.8
95.04926	4.7
97.99191	3.5
103.05445	10.9
105.07022	98.1
107.08596	3.0
119.08558	6.1
133.06482	62.0
135.08031	24.2
137.90021	2.7
151.07533	19.6
163.03880	18.7
178.05028	3.5
178.08533	5.7
178.09859	6.0
178.12251	100.0
196.76044	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56292	1.4
72.78654	1.6
81.04518	2.5
84.59605	1.8
91.05435	2.2
94.11386	1.8
119.04928	1.8
136.07541	6.6
168.53928	1.9
182.05780	100.0
182.42110	1.8
203.99168	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.76696	3.8
55.05507	4.2
56.67489	3.4
58.02949	29.6
61.18216	4.3
67.02467	4.0
67.05486	31.5
69.07053	78.7
69.80153	4.6
71.29359	3.8
79.05468	6.2
81.07040	22.2
83.08565	6.6
84.08115	10.6
93.07053	15.4
95.08575	6.2
98.97565	5.1
99.19300	4.3
100.07605	6.7
103.87769	4.2
105.07045	13.8
105.94460	4.8
107.08597	22.6
107.33006	5.0
109.10152	57.4
114.09183	20.8
123.11663	6.5
126.09174	11.6
133.10106	37.3
135.11705	23.4
138.12801	16.3
138.32799	5.2
151.11198	11.6
153.12758	10.0
182.15388	100.0
182.16890	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90783	2.7
55.40168	2.6
60.08155	20.2
60.95823	4.3
70.06576	6.1
71.07344	8.0
78.66797	3.5
86.09692	100.0
98.98456	16.6
99.04197	3.3
124.99117	6.3
124.99981	55.0
138.09084	7.1
143.03403	8.9
148.65489	3.6
149.56377	3.4
168.82941	4.0
184.07320	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.53026	2.5
60.08155	21.4
60.95842	5.9
61.93246	2.5
70.06562	2.6
71.07364	13.5
86.09698	100.0
98.98469	17.0
104.10752	3.3
121.51816	2.5
124.99992	68.6
132.54390	3.3
138.10225	3.6
139.06084	2.9
166.02664	3.3
184.05719	5.3
184.07327	82.1
198.57472	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.43892	2.2
58.99691	2.7
60.08155	24.8
60.95829	3.8
61.31192	2.4
61.67636	2.5
71.07348	14.0
82.40540	2.6
84.57458	2.5
86.09698	100.0
95.18230	2.6
98.98463	20.1
104.10703	4.5
124.99134	5.6
125.00000	73.0
143.03401	3.6
183.82150	4.1
184.05696	6.2
184.07329	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64271	3.1
55.05505	44.8
55.69231	3.0
56.96547	8.8
57.06828	4.5
57.07065	42.7
58.06599	3.6
58.18665	3.4
60.95844	52.8
63.26641	3.4
63.74642	3.3
65.41462	3.5
69.03414	3.8
70.06588	13.5
77.21347	3.9
83.08620	22.7
85.06541	26.9
89.52909	4.4
91.71721	8.3
98.06024	4.3
100.11250	100.0
101.95028	11.8
102.09163	22.3
102.96856	10.9
114.09151	7.3
119.96078	6.4
120.97930	8.3
125.93648	4.2
138.09132	14.0
138.10210	8.4
138.98969	9.7
143.01199	6.8
143.03395	9.5
143.99487	9.2
144.02328	7.0
160.98712	6.4
162.00558	18.4
165.05161	4.8
166.05258	5.9
166.09787	12.6
167.13876	4.9
184.00343	16.1
184.02881	6.2
184.17065	13.4
185.02127	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24949	5.4
56.96552	15.6
57.07064	29.9
60.95840	80.6
62.11811	5.7
70.06591	15.7
71.95241	6.5
85.10173	71.0
87.56276	5.5
101.95016	20.7
102.96875	18.9
119.96072	7.2
120.97915	20.3
138.09158	19.1
138.10291	6.2
138.98918	11.4
139.01794	9.5
140.35614	6.4
142.97670	7.9
143.00258	9.9
143.03432	15.5
143.99518	23.5
144.02399	11.8
160.98712	14.0
162.00526	20.0
162.03360	13.5
166.08574	8.5
166.09837	14.0
184.00365	23.1
184.03117	8.0
184.09641	11.2
184.16914	100.0
184.18375	7.5
185.02106	46.8
202.01436	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11078	65.0
61.10035	68.6
63.31132	67.8
63.85190	77.1
68.29205	71.2
82.35453	100.0
112.57311	84.5
184.55022	82.8
197.32330	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86734	1.6
55.01860	4.3
55.05502	3.7
56.05014	2.3
56.12066	1.7
57.03428	4.5
60.04533	2.0
60.07897	2.6
60.08155	30.3
68.05011	10.4
69.05796	9.0
70.06582	7.4
72.04504	2.5
72.08133	3.6
73.02911	2.6
73.87788	2.1
74.24777	1.7
80.05013	2.0
83.06098	2.5
84.04496	23.1
85.02897	70.7
86.00615	1.9
94.06560	6.3
96.04479	2.5
97.02888	4.5
98.06060	5.5
98.90681	1.9
99.04430	2.3
100.02193	9.7
108.04456	3.4
112.07600	12.0
113.04743	3.9
114.05527	100.0
122.06049	7.3
126.05511	50.8
127.03245	98.6
130.01303	2.2
137.79375	2.2
138.05476	2.4
140.07059	18.9
144.06604	3.0
145.05014	3.2
151.20914	2.3
151.22095	2.2
168.06497	5.1
186.06021	3.4
186.07707	25.3
186.10599	66.3
192.34105	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93756	4.8
56.96549	15.4
57.03404	5.2
57.07070	73.5
58.06587	7.5
64.12086	5.5
66.46382	6.3
69.03430	8.6
71.04974	13.1
71.08287	6.1
71.08616	37.8
81.24619	5.7
83.45911	5.3
84.04497	27.5
85.02892	77.0
85.10176	18.9
86.87226	6.5
92.55070	7.4
98.06027	8.0
99.04434	16.4
100.12519	7.2
104.99259	9.2
112.07610	23.4
114.05516	100.0
122.06034	28.8
126.05515	60.1
127.03916	13.8
138.05554	13.0
140.07071	30.8
145.04971	10.7
164.00780	7.0
168.06490	8.9
186.07593	31.4
186.22179	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05503	9.2
56.96549	23.8
58.06591	100.0
58.28773	7.2
59.07381	57.8
59.07635	10.3
60.07697	8.8
60.08153	18.4
61.48167	7.8
63.09298	7.5
67.05499	8.7
69.03416	27.6
69.15431	7.3
70.06561	10.3
71.04956	11.0
72.08141	22.7
75.71720	7.4
80.18619	8.3
81.03397	33.5
81.07059	9.0
83.08919	8.6
84.04491	9.2
91.05478	10.7
97.06506	11.3
98.06033	9.0
104.99226	11.6
105.07078	9.9
109.02918	12.6
120.08127	46.4
145.10133	55.8
157.10130	10.2
159.11612	10.9
164.02936	11.7
187.04449	15.4
187.14790	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.18529	1.5
55.61353	1.8
65.34280	1.7
91.05492	5.9
113.06406	2.1
115.05486	6.6
116.17511	1.8
117.07031	5.6
118.06538	79.7
125.43775	1.9
142.06529	3.8
143.07326	10.6
144.08083	29.0
146.06003	100.0
169.06570	1.9
170.06000	9.1
188.07048	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01864	7.5
55.05494	3.7
56.96548	16.9
58.06595	3.3
62.06064	3.7
65.03918	5.6
67.05495	44.7
76.59390	3.4
79.05484	14.1
81.03423	4.0
82.58028	3.2
83.04969	6.8
91.05471	43.7
95.04944	19.6
105.03385	7.2
105.07028	27.1
107.04949	100.0
111.04472	6.7
115.05460	10.0
117.07011	27.3
119.04958	5.8
119.08560	9.3
121.02867	17.5
123.04423	5.1
128.06227	23.1
129.06995	7.6
133.06500	14.2
133.10120	10.5
143.08569	29.2
145.06476	31.0
147.04405	4.3
147.08060	11.1
153.07001	5.9
161.09631	37.5
171.08025	37.9
189.09073	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
50.73204	1.9
54.14677	2.0
55.01854	5.4
55.05489	1.9
56.60091	1.8
56.96547	8.5
65.03923	3.9
67.05495	28.5
71.18993	2.1
79.05498	8.9
83.04967	3.9
91.05473	30.8
91.51810	2.2
91.71727	5.4
94.28599	2.4
95.04954	14.0
97.83846	2.5
104.31133	2.5
105.03382	44.1
105.07034	16.2
107.04944	100.0
111.04435	4.0
115.05465	4.7
117.07010	13.3
119.04962	2.8
119.08559	7.7
121.02895	8.4
121.61177	2.6
128.06216	9.4
129.07077	4.5
131.08623	2.6
133.06512	8.1
133.10120	12.2
137.28328	2.6
143.08597	13.5
145.06480	17.6
145.10150	2.8
147.08069	8.3
153.07059	4.7
161.09604	23.8
171.08051	18.4
189.09058	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24726	2.6
56.81747	2.8
70.36243	3.0
73.27132	2.6
75.48525	2.7
91.05468	6.4
96.45733	2.8
105.07035	12.8
107.08581	3.7
117.06988	3.0
119.08567	17.5
120.96818	2.8
128.06256	3.7
129.06987	5.9
130.07817	5.9
131.08588	7.3
133.10098	4.6
141.07007	11.3
143.08563	9.8
144.09276	5.5
145.10118	19.8
147.08076	7.4
147.11707	12.8
156.09343	53.8
159.11719	15.4
171.11681	70.6
174.10330	4.7
189.12737	100.0
196.07397	3.1
200.29291	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1346
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
57.04552	10.7
60.08155	20.4
65.61491	1.0
67.05484	3.4
69.86069	0.9
70.06583	92.3
71.04978	2.4
72.08147	11.2
74.07191	30.7
74.37122	1.0
84.04504	1.4
84.08134	100.0
85.06522	1.2
88.07623	1.6
90.19732	1.0
100.07639	1.4
103.47351	1.5
112.08753	1.4
115.08696	3.6
116.07092	31.4
126.09158	2.6
130.08635	31.4
133.09731	2.4
144.11293	14.4
144.13875	2.8
153.89641	1.2
158.09239	5.5
172.10876	5.4
189.13469	30.0
189.15958	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45325	0.7
54.42099	0.7
56.05016	1.5
60.07862	1.6
60.08157	28.2
67.05495	2.7
70.06578	15.1
72.08146	1.0
74.07190	5.9
84.08134	100.0
97.53027	1.0
112.95889	0.9
116.07079	4.5
128.67575	0.9
130.08635	35.7
144.11302	1.4
144.13841	2.8
189.13428	3.3
189.15948	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05500	31.5
55.33101	18.2
56.02499	20.3
56.96555	96.4
62.66739	17.5
67.05493	58.0
67.46566	18.9
68.33871	19.9
73.54638	18.4
75.63618	19.7
76.60834	19.9
77.99793	18.8
81.07050	100.0
91.05486	36.4
91.71589	32.3
93.07040	44.1
93.75163	22.1
95.08598	81.8
95.76738	19.7
98.27132	23.8
99.13308	20.5
100.95387	20.7
105.07023	83.5
107.08585	78.4
109.10091	25.2
111.04454	45.1
111.65063	19.7
119.08561	47.5
133.10143	76.8
149.02365	42.3
166.00230	27.6
189.01762	25.1
189.16440	86.7
205.59244	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0914
Annotation	(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
Peak:m/z	Relative Intensity
52.77682	8.1
56.96561	20.4
65.58887	10.5
69.03429	19.2
72.08181	10.8
72.97536	9.0
87.04458	100.0
91.05451	22.5
105.05507	13.0
105.07058	14.3
109.06496	16.0
121.10114	11.0
124.97390	10.3
128.07214	11.9
131.08612	27.5
133.10146	24.3
135.08188	12.2
148.84065	11.6
173.13301	14.9
191.06754	12.5
191.08302	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0915
Annotation	(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
Peak:m/z	Relative Intensity
53.13348	1.4
60.31685	1.5
69.03422	21.8
72.93782	3.2
75.19920	1.8
75.54169	1.8
86.09707	5.2
87.04462	100.0
89.27478	2.0
90.94840	1.8
91.05531	2.1
91.71107	2.1
102.44582	2.0
105.05520	14.5
110.07195	2.1
113.96410	4.8
128.07079	8.9
145.06496	2.0
154.99078	2.5
155.10753	1.8
160.05118	2.7
172.97769	2.2
191.06830	3.3
197.01779	2.3
208.53468	2.5
214.00490	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
50.81970	8.8
51.94024	7.6
55.61647	9.4
56.96554	29.3
58.06592	65.6
59.07360	33.2
60.08148	23.9
61.05021	10.8
65.60396	9.2
67.05499	38.0
69.03428	21.3
69.07062	13.8
70.17587	8.6
71.04988	70.1
72.08151	13.8
74.40731	13.3
77.01501	9.4
79.05481	15.5
81.07047	27.9
85.06537	20.6
86.09702	35.4
87.04449	12.4
89.13480	11.2
91.05481	39.5
91.77617	9.5
93.07038	13.0
94.10647	8.5
97.06503	16.8
102.48796	11.2
102.67731	10.7
105.07032	66.1
107.08600	69.2
109.06493	17.7
109.10181	55.1
109.10780	10.5
119.08576	19.3
119.58125	11.0
121.06505	14.8
121.10109	100.0
121.14125	10.9
123.08069	83.2
131.08559	51.5
131.97388	10.9
133.10092	59.1
135.08052	26.0
136.14412	11.2
145.10126	27.4
173.13246	58.1
191.08214	16.2
191.14302	70.8
192.06660	12.0
201.92920	10.6
202.69081	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.13019	15.8
56.96549	33.5
58.19535	15.5
59.07340	18.0
65.03933	17.5
66.21141	18.7
67.05515	36.8
68.67325	19.8
69.00352	15.5
69.03432	24.4
71.04979	67.6
72.93775	21.6
79.05490	19.3
81.07040	29.1
85.06533	25.0
87.04463	33.7
91.05465	36.4
93.07053	41.3
97.06525	24.0
97.87799	18.0
104.29594	17.7
105.07019	66.3
107.08596	62.2
109.06503	32.6
109.10146	36.8
117.06973	22.4
119.08675	21.5
121.06548	20.5
121.10147	78.0
123.08073	55.6
131.08580	66.5
133.10117	57.2
135.07993	50.1
145.06432	23.6
149.09671	22.8
149.66498	21.2
173.13255	47.8
191.08287	23.1
191.14270	100.0
200.08563	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
54.27722	5.0
56.96546	14.7
58.06586	6.8
59.07360	7.2
67.05481	33.1
69.03429	10.0
69.07064	10.4
71.04982	36.3
79.05491	13.6
81.07017	12.4
83.08589	7.3
85.06518	19.2
91.05486	28.4
93.07047	22.8
95.04972	16.5
95.08605	22.0
97.06540	11.4
105.07014	42.0
107.08578	64.0
109.06523	57.0
109.10147	100.0
117.07027	16.4
119.08630	23.4
121.06509	14.7
121.10145	38.3
123.08086	40.9
129.07037	11.3
131.08571	62.0
133.10136	26.8
135.08060	66.1
145.10147	23.6
147.11737	20.8
149.09612	17.2
149.13231	16.3
158.10922	13.0
173.13237	51.6
191.06921	10.5
191.10593	13.4
191.14326	88.1
192.06511	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05501	6.6
57.07080	2.4
67.05498	34.8
69.07051	10.2
71.04984	67.4
74.71738	3.3
79.05476	13.5
81.07043	22.3
85.06542	27.1
91.05472	40.0
93.07034	28.3
95.04961	14.1
95.08595	18.5
97.06558	17.2
98.74823	3.1
103.05474	4.9
105.07027	54.2
107.08590	81.8
109.06528	20.8
109.10152	68.5
111.08083	3.8
117.07009	10.0
119.08559	22.5
121.06515	10.2
121.10139	100.0
123.08070	72.5
123.60209	3.4
126.27699	3.3
129.07007	6.9
131.08563	57.1
133.10120	44.5
135.08035	34.6
143.08507	3.5
144.09315	3.6
145.10130	13.6
147.11644	30.5
149.09660	6.0
149.13263	15.6
158.10933	8.5
163.14783	3.9
163.82578	3.8
173.13252	53.8
191.14310	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
55.05500	7.8
59.47068	3.1
63.62542	3.0
66.79600	3.5
67.05487	8.7
68.56197	3.1
69.03426	26.8
69.07057	15.7
71.04957	4.1
78.46793	2.9
79.05493	10.1
81.07047	11.0
83.04948	5.3
87.04437	5.0
91.05460	29.6
92.23859	3.8
93.07044	12.1
95.04938	6.9
95.08600	8.7
103.05461	3.5
103.23795	3.2
105.07023	68.4
107.04992	4.5
107.08601	20.6
109.06513	5.9
113.20476	3.8
117.07038	13.9
119.08575	100.0
119.09362	7.4
121.06448	5.5
121.10144	14.4
123.08092	4.1
129.07031	3.7
131.08563	23.8
133.10136	12.2
135.08069	15.9
145.06479	5.8
145.10164	11.4
147.11679	40.8
149.09625	18.6
149.13229	8.1
158.10982	4.2
173.13260	13.9
191.03430	10.8
191.10585	4.8
191.14304	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0767
Annotation	Carbendazim
Peak:m/z	Relative Intensity
54.02642	0.5
54.59390	0.4
60.15477	0.5
60.45212	0.4
61.33289	0.4
65.03922	0.7
68.94483	0.4
72.54754	0.5
86.09640	0.6
86.38123	0.5
92.04963	0.6
98.97529	0.8
105.04512	1.2
110.07120	0.8
132.05550	3.6
135.77321	0.5
151.14485	0.5
160.05049	100.0
192.07692	19.3
201.44321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.76875	1.2
53.03926	2.5
55.05507	7.6
56.96553	4.5
57.03442	1.1
57.07067	1.3
65.03944	2.3
67.05495	8.2
69.07047	4.6
71.04971	6.9
77.03864	1.4
79.05485	12.2
81.02024	1.5
81.07048	10.8
83.04958	1.6
85.02871	1.3
87.04440	2.1
91.05471	60.9
93.07035	41.0
95.04963	12.1
95.08595	8.7
103.05510	1.3
105.07025	71.1
107.08579	13.6
109.06531	4.0
109.10152	3.2
115.05405	2.2
117.07003	3.2
118.06515	1.7
119.08572	62.5
123.08081	1.4
128.98627	3.0
129.07016	12.7
131.08556	15.7
133.10124	100.0
134.10539	1.7
135.11667	15.6
138.46107	1.4
142.07774	3.8
145.10069	1.7
147.04436	1.7
147.08018	2.3
147.11696	19.4
152.00230	2.2
157.10059	7.6
158.39711	1.5
175.11186	17.7
175.14774	14.7
193.03029	3.5
193.05000	5.3
193.10693	1.9
193.12177	8.7
193.15872	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
54.56522	3.0
55.05506	9.7
56.96546	16.9
64.36950	3.0
67.05501	9.5
71.04984	3.6
73.38728	4.2
79.05484	14.7
80.88823	3.2
81.03402	3.3
81.07032	9.4
91.05472	90.5
93.07042	42.4
95.04962	14.5
105.07021	92.0
107.08588	11.5
109.06482	5.5
119.08571	70.9
119.09376	6.6
129.06998	17.5
131.08562	23.2
133.06537	4.7
133.10114	100.0
143.40990	4.1
147.07997	4.8
147.11673	34.8
147.29576	4.3
152.00172	7.8
157.10106	11.8
165.05537	4.2
175.11153	21.3
193.03047	5.0
193.04968	8.6
193.09761	4.2
193.12276	13.9
210.13049	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
55.05494	5.3
55.20071	3.0
56.96564	5.1
59.04984	2.7
65.03897	2.8
67.05488	7.6
71.04999	4.9
79.05486	14.9
81.07037	8.7
83.04975	4.5
91.05473	76.3
93.07034	40.0
95.04956	9.4
105.07025	83.3
107.08588	8.3
117.06999	4.5
119.08566	63.1
128.78583	3.7
129.06978	18.3
131.08588	19.5
133.10112	100.0
147.11676	24.0
157.10156	7.4
175.11122	23.1
193.04970	8.5
193.12251	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.20168	2.8
55.01867	8.0
55.05516	9.4
55.34774	3.6
56.96567	15.7
57.07050	3.2
65.03946	4.3
67.05511	11.2
69.03439	5.0
70.57115	3.5
71.05004	4.2
76.75986	3.2
78.24353	3.4
79.05505	12.8
81.07073	10.5
83.05016	4.9
87.04485	4.3
88.66499	3.7
91.05466	78.0
93.00244	3.6
93.07034	40.5
95.04991	17.1
95.08588	4.3
105.07020	84.9
105.07668	5.5
106.28046	4.3
109.06584	4.0
111.08114	5.2
118.06590	5.9
119.08570	48.2
129.07010	18.5
131.08539	20.7
133.10123	100.0
135.11778	4.2
147.08034	5.4
147.11661	29.2
147.56454	3.4
152.00253	5.2
157.10204	10.6
165.05518	4.7
170.01315	7.5
175.11182	27.4
183.24269	4.0
193.02979	8.0
193.05038	10.9
193.08539	4.4
193.12296	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.02783	3.6
54.56509	4.4
55.01857	4.6
55.05502	10.5
56.96569	17.4
65.03944	17.8
67.05504	16.6
69.03429	4.7
69.07097	4.7
71.05002	4.3
79.05503	12.3
81.07079	17.3
85.06532	5.7
89.99312	4.8
91.05475	78.4
91.05961	5.8
93.07043	47.9
95.04987	17.4
95.08618	9.2
99.08060	33.1
105.07030	100.0
107.04988	4.6
107.08617	12.3
109.06519	5.2
109.10194	12.9
117.07042	9.8
119.05003	5.9
119.08581	59.7
121.35661	4.4
123.08094	5.8
129.07025	27.7
131.08575	25.0
133.10143	98.0
133.11082	8.3
137.06044	5.9
147.08139	6.4
147.11694	35.0
148.07596	7.4
149.02411	34.1
149.03462	9.1
152.00273	10.0
157.10193	9.0
165.05556	5.4
170.01279	8.7
175.11156	29.6
193.03131	9.6
193.05029	37.8
193.08475	6.8
193.12321	13.3
193.16014	16.0
213.68370	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
55.01849	3.8
55.05500	7.1
59.13639	1.9
59.65189	2.0
65.03941	3.0
67.05482	6.2
71.04973	3.8
79.05468	15.5
81.07056	8.2
81.63949	2.4
83.04908	3.0
85.02899	3.9
91.05468	82.6
93.07035	44.6
95.04949	14.9
103.05430	2.5
105.07024	90.9
107.08601	7.2
117.07017	4.1
119.08568	69.5
119.09363	4.9
129.06989	26.8
131.08574	21.4
133.06485	4.9
133.10118	100.0
135.08026	4.2
137.48106	2.8
137.75357	3.2
146.02895	2.7
147.08061	3.1
147.11668	32.4
157.10150	10.7
162.27274	2.5
164.12579	2.5
175.11160	35.0
193.04976	6.1
193.12263	17.6
211.85309	2.5
214.71678	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	7.6
57.03419	2.0
58.39081	1.4
69.07043	2.0
72.52812	1.4
73.60337	1.4
80.05008	1.9
84.04508	2.1
87.04446	4.6
91.05529	2.0
93.05785	8.4
94.06567	4.5
98.97591	2.4
108.04465	4.4
120.08099	2.5
121.06486	3.2
134.06004	2.2
136.07565	4.2
136.48598	1.9
137.08369	2.5
139.01735	1.8
140.00174	2.2
148.07579	2.7
150.12772	51.4
152.07114	2.0
166.08583	3.3
176.07068	2.9
181.02835	3.1
188.43129	1.9
194.08025	9.3
194.15395	100.0
195.00488	2.3
195.15768	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	ferulic acid
Peak:m/z	Relative Intensity
56.05030	1.9
56.96551	7.0
58.06595	12.2
59.07362	6.7
60.08154	1.9
67.96452	1.7
68.96335	3.2
71.95239	3.5
72.08136	6.4
75.22972	1.8
79.05494	2.9
81.03395	3.5
82.16747	1.9
84.04478	5.4
85.02843	2.4
89.03917	33.0
91.05482	6.1
95.04978	2.8
95.08618	2.3
103.05459	2.7
106.04148	3.4
107.04952	9.3
107.08614	2.9
110.89401	2.3
117.03384	39.5
121.06474	4.8
126.10265	4.8
130.06480	2.3
134.03632	5.9
135.04427	8.1
136.07599	5.6
142.72844	2.1
145.02846	39.2
149.05966	29.8
153.97905	4.5
158.01378	2.3
158.06024	10.3
163.03922	8.2
171.98889	3.6
177.05450	100.0
181.02890	4.6
186.05505	38.5
195.00610	9.7
195.06320	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	ferulic acid
Peak:m/z	Relative Intensity
55.57587	1.0
57.93229	1.0
58.06315	1.8
58.06592	31.3
58.07425	1.1
59.07373	18.6
60.08149	6.2
62.55058	1.2
62.61132	1.2
63.02374	1.6
69.03426	1.9
72.08149	12.0
78.04678	1.9
79.05472	1.5
80.22699	1.1
89.03900	30.5
91.05502	2.4
95.04961	3.0
97.06514	3.0
103.05445	2.0
107.04944	26.4
107.05605	2.5
108.05257	2.9
111.04421	2.1
117.03374	40.0
117.04196	2.3
119.04958	1.5
124.05243	1.9
125.05959	1.5
126.10277	13.8
130.06541	2.3
134.03630	7.5
134.65887	1.1
135.04399	8.6
136.07571	15.6
145.02837	55.2
145.03957	2.9
149.05960	23.7
150.57909	1.4
153.05502	1.8
158.06004	9.7
162.03036	2.1
163.03896	7.7
177.05449	100.0
186.05495	28.7
190.08681	2.7
195.06384	1.7
204.10257	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	ferulic acid
Peak:m/z	Relative Intensity
51.81405	1.8
56.04987	1.8
56.90020	1.7
56.96572	5.0
57.02409	1.8
58.06597	18.5
59.07367	9.6
60.08158	4.3
63.02382	2.1
65.03941	1.8
69.03418	2.2
70.06583	2.6
70.67038	1.8
71.95260	4.3
72.08138	7.2
78.04711	2.3
79.05471	2.5
81.03399	4.1
84.04490	6.3
89.03901	37.4
89.06022	3.2
91.05463	5.7
91.57296	1.9
93.07033	4.2
95.04964	4.3
97.06512	2.3
107.04944	13.9
111.04444	3.6
117.03360	36.9
117.04086	3.7
119.04927	2.1
121.06498	4.5
122.06084	3.9
124.98826	2.1
125.02308	2.9
125.06010	2.1
126.10290	8.8
130.06477	3.5
131.00185	2.6
134.03642	10.3
135.04402	7.8
136.07594	8.4
145.02834	42.1
149.05975	26.1
153.05508	3.4
158.01222	2.6
158.05981	12.5
163.03903	9.8
171.98936	2.7
175.41690	2.4
177.05449	100.0
181.02802	3.4
186.05496	43.1
187.05899	2.7
195.00552	9.7
195.06366	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
56.96562	8.4
58.06592	8.4
59.07399	4.9
67.05494	10.0
68.99783	38.9
69.03460	5.4
69.07068	7.1
71.04992	8.2
71.94114	6.2
71.95253	24.9
79.05501	5.3
80.45190	3.4
81.03416	5.6
81.07094	11.0
83.05004	10.2
84.04514	6.7
85.10165	20.5
91.05493	11.8
91.71022	7.7
93.07070	11.3
94.06663	4.4
95.04995	5.4
95.08647	7.0
97.06556	7.4
107.04964	4.1
107.08624	14.6
109.06526	3.8
111.08127	4.2
121.10165	6.4
123.46880	3.4
125.09634	27.6
131.08603	5.9
135.08121	4.9
136.07651	7.5
149.05975	4.9
149.09663	7.2
153.09102	100.0
153.99339	4.5
154.00566	5.1
159.11754	4.9
163.03909	4.6
173.95938	4.7
177.05510	5.2
177.12799	6.9
184.27228	3.6
195.10225	12.3
195.13936	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72525	3.5
51.36349	3.6
53.30360	3.1
54.37840	3.6
55.05506	6.9
56.05011	4.3
56.96550	12.1
58.06590	14.4
59.07360	6.1
60.08159	5.7
67.05496	4.6
68.99781	41.4
69.03422	7.4
69.07055	4.1
71.95258	32.0
74.08123	3.7
79.05479	6.1
81.03416	9.7
81.07050	10.4
83.04965	8.7
84.04495	18.0
85.10172	15.8
91.05469	6.7
93.07027	8.0
95.04971	9.9
96.86463	3.8
97.06512	5.7
101.22359	4.0
107.04962	9.4
107.08596	20.2
111.04466	9.4
112.97863	5.6
113.96409	5.0
121.10139	5.3
122.05998	5.1
125.09623	30.8
135.08090	7.6
135.11682	7.5
149.05981	8.9
149.09528	6.2
149.94734	4.6
151.01627	6.7
153.09097	100.0
153.99347	6.6
154.00558	9.9
154.01747	4.2
154.99068	12.7
163.03915	6.4
163.77879	4.9
177.05421	7.5
189.40729	4.8
195.00609	6.1
195.06488	7.5
195.10033	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.04458	1.5
50.40348	1.7
53.03928	2.3
54.19363	1.5
55.01855	4.4
55.05484	7.0
56.96550	5.5
58.06578	6.0
59.07342	2.2
65.74144	1.8
67.05173	2.8
67.05492	34.6
69.03445	2.2
69.07047	8.1
71.04613	4.0
71.04983	49.3
71.94057	2.1
71.95249	23.3
72.08132	2.4
72.93791	2.3
79.05480	21.7
79.91923	1.8
81.03416	2.1
81.07043	50.2
83.04932	3.5
83.08580	2.1
84.04500	5.1
85.02898	2.3
85.06534	29.1
87.04453	5.5
91.05473	20.5
91.76927	1.9
93.07033	63.5
95.04960	12.3
95.08601	19.5
97.06516	23.3
100.74203	2.0
103.05460	4.9
105.07028	8.3
107.04945	6.5
107.08591	19.5
109.06513	6.0
109.10141	2.4
111.08074	12.5
112.96729	2.0
112.97817	2.3
117.07024	10.3
118.06532	3.6
119.08569	4.4
121.06496	8.8
121.10125	7.2
123.08038	4.2
130.98932	2.7
131.08545	17.3
133.02847	8.1
133.10114	14.0
135.04410	9.8
135.08057	16.9
135.11678	28.0
142.61380	1.9
145.72440	2.3
147.11594	3.3
149.09590	4.3
149.13240	7.9
151.11102	2.3
153.09120	2.5
153.99312	2.3
154.00494	6.0
154.99055	4.9
159.11662	24.5
163.03885	100.0
177.05534	2.3
177.12755	33.5
187.52228	2.0
195.00531	3.0
195.06418	2.3
195.13745	15.7
212.87248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.61842	5.0
55.01849	9.4
55.05508	9.7
56.96545	9.8
58.06572	10.3
59.07369	7.1
60.74967	6.4
65.03918	6.4
67.05492	54.6
69.03430	8.3
69.07065	16.9
69.80727	5.9
70.56145	5.8
71.04976	96.7
71.95255	32.1
72.93755	5.7
79.05478	40.6
81.07042	80.5
84.04525	7.1
85.06532	44.2
87.04439	8.1
91.05473	47.7
93.07032	100.0
95.04967	15.3
95.08602	35.1
97.06507	45.1
105.07026	22.0
105.58964	6.1
107.04928	10.5
107.08578	28.1
109.06416	8.2
111.08041	33.6
117.07010	18.6
121.06503	21.2
121.10158	12.3
122.37160	6.5
131.08563	29.9
133.10146	19.8
135.08034	22.8
135.11655	36.1
136.07562	7.4
146.36217	6.8
149.09760	7.4
149.13231	14.0
159.11719	41.1
163.03908	49.9
168.21765	6.9
177.12746	62.3
184.04996	6.9
195.13786	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.79825	4.7
53.42090	5.3
55.01871	8.1
55.05514	21.9
55.49337	4.9
56.96564	21.2
57.07074	8.4
58.06605	16.9
59.07373	13.5
67.05505	13.0
69.03436	17.8
69.07066	49.3
71.05003	8.8
71.95261	37.5
72.93786	10.9
79.05511	17.4
81.03433	10.2
81.07036	50.9
83.08637	10.9
84.04520	10.3
85.06593	6.5
91.05497	18.5
93.07046	37.8
94.06544	6.6
95.05021	9.2
95.08603	64.5
97.10197	9.7
97.99213	8.4
99.08113	42.8
102.02202	6.3
105.07030	11.9
107.05014	21.0
107.08587	77.8
107.09150	6.5
109.10146	15.3
111.04465	6.3
111.08052	11.9
112.71674	5.9
112.96705	6.9
112.97888	6.7
113.96449	18.5
121.10137	100.0
125.09634	29.9
126.10324	11.5
131.08675	6.5
135.08060	11.3
135.11768	20.7
137.13295	14.8
139.11185	7.8
148.97395	6.4
149.05989	6.7
149.09651	15.0
154.00601	8.3
154.99098	26.6
177.05531	6.7
177.09077	16.4
177.16388	84.1
195.00577	22.5
195.10167	36.8
195.17542	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0638
Annotation	2-(N-morpholino)ethanesulfonic acid
Peak:m/z	Relative Intensity
56.05029	1.9
70.06573	11.0
80.88627	1.1
84.08108	1.9
84.19152	1.2
85.57574	1.2
87.06838	3.7
100.07612	55.1
108.01150	4.2
108.56384	1.2
109.50256	1.3
114.09154	17.1
118.36972	1.2
152.03725	4.9
161.25031	1.4
162.17914	1.3
164.23367	1.3
196.06375	100.0
202.92313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68870	4.4
55.05479	5.3
56.96548	18.3
58.06592	100.0
58.09325	4.6
59.07370	44.5
60.08160	25.9
69.03412	20.3
70.06580	11.1
70.95850	7.2
72.08136	47.9
72.93780	7.6
76.62062	5.5
80.05000	9.4
81.03428	7.0
83.04971	12.7
84.04464	6.9
85.02897	7.5
86.06066	6.2
91.71696	13.1
94.06601	6.3
95.04964	11.0
98.97597	8.0
100.07628	7.6
107.04956	10.1
107.19927	4.7
111.98470	17.0
113.96423	8.1
122.05989	7.5
123.04426	31.2
126.10272	40.4
132.95775	9.9
136.07564	7.5
150.96892	15.0
152.07056	18.8
154.97717	7.9
155.97385	12.5
173.98502	8.7
196.06308	14.9
196.11002	8.6
196.14523	28.3
197.00050	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
55.93505	2.1
59.04975	3.0
62.99899	1.5
63.55331	1.6
65.03915	2.5
67.05479	6.7
70.95847	4.6
72.93760	5.3
73.41320	1.5
79.05473	4.1
81.07025	7.5
84.19942	1.7
84.21208	1.7
89.30228	1.9
91.05473	21.7
91.71606	1.6
93.07044	22.1
95.04953	9.4
95.08591	2.8
105.07030	39.7
107.03921	1.7
107.08587	74.4
109.06474	7.1
109.10138	7.2
111.98449	5.6
113.96371	2.4
119.04984	2.3
119.08562	7.8
119.09372	1.7
120.31119	1.7
121.06482	6.3
123.04399	4.7
123.08069	2.2
123.11670	3.7
130.72148	1.7
131.08574	2.8
132.95837	5.2
133.10126	79.4
135.11691	70.1
137.06001	3.0
137.09627	3.8
150.96837	4.0
151.11185	4.4
153.01102	5.2
155.97359	10.0
161.09610	35.3
173.98462	6.4
176.67844	2.0
179.10660	100.0
197.00064	9.2
197.11711	85.9
197.13197	3.1
202.73990	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28139	2.4
55.01880	2.9
55.05503	4.0
56.96552	4.7
67.05520	11.5
69.03456	2.7
69.07069	5.3
70.68564	2.6
70.95850	17.1
71.01344	100.0
71.03964	2.8
71.04990	5.5
72.93809	14.8
77.92681	2.7
79.05495	4.6
81.07087	9.0
83.08633	6.9
85.10197	10.6
88.96935	3.5
90.53925	3.2
93.07088	4.5
95.04981	6.9
95.08630	7.5
95.78324	3.2
97.06539	4.4
105.07106	2.9
107.08595	16.2
109.10155	29.1
111.08097	5.6
111.98456	20.0
113.96420	7.5
123.11755	4.6
125.09681	11.6
132.95876	11.8
135.11696	5.2
137.09669	3.7
150.96881	19.4
153.01071	23.0
154.99046	6.7
155.10652	62.8
155.11783	4.5
155.97421	24.3
158.44154	3.7
173.98518	22.3
175.74406	4.0
179.10739	12.6
197.00105	57.0
197.11705	27.2
197.88187	3.8
198.18585	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94998	1.8
53.26777	2.0
55.01856	6.2
55.05510	13.3
55.05711	2.0
55.93522	3.2
67.05487	5.1
70.95858	11.5
72.80078	2.3
72.93794	13.1
79.05479	5.5
81.01613	2.9
81.07040	26.2
88.96863	5.2
90.94834	2.9
91.05468	8.6
91.66309	2.5
93.07027	8.2
95.04928	4.6
97.06519	5.7
99.04447	7.8
103.76756	2.3
103.85478	2.4
105.03368	2.7
105.07007	6.6
107.08617	4.6
109.06506	15.9
109.10161	11.1
111.04390	3.0
111.98482	19.8
113.96404	8.3
119.08573	5.3
121.06519	3.4
125.05985	72.7
127.03922	19.5
129.66182	2.4
129.99544	3.9
132.95857	13.4
133.10121	8.2
135.11710	3.7
136.41902	2.4
137.05972	100.0
137.09584	17.2
143.08562	4.4
150.96892	16.7
153.01031	17.7
154.99081	4.4
155.97418	29.5
161.09612	10.4
168.06540	5.5
173.98479	17.1
179.10602	18.2
197.00066	47.7
197.11728	12.0
198.18504	2.7
210.63844	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79009	4.5
55.05505	31.8
56.96563	9.9
58.06314	6.0
58.06592	91.0
59.06920	8.7
59.07378	48.2
60.08157	100.0
63.47090	4.7
68.02623	6.0
68.05022	9.9
69.03410	15.4
70.06580	8.4
70.95856	17.5
71.10387	4.0
72.08148	89.4
72.93773	20.7
73.08478	14.3
83.04961	19.8
84.04487	7.3
85.02906	15.6
86.09697	20.7
86.69933	4.4
89.10783	13.7
91.05477	7.7
95.06070	7.5
96.59372	4.5
97.02866	6.4
97.07607	5.5
107.04951	58.4
110.06032	6.3
111.98466	30.4
112.07599	4.9
113.96373	10.5
122.54783	4.7
127.08614	12.4
129.99551	6.5
132.03244	5.0
132.95854	22.2
136.07565	43.7
145.04970	6.7
148.07639	5.7
150.96886	29.8
153.01117	21.8
155.97420	40.4
159.14842	6.7
162.05557	13.1
173.98500	25.9
197.00107	65.8
198.18440	9.5
218.11777	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30824	1.9
55.01862	8.2
55.05493	3.4
56.96552	4.3
57.03440	10.3
57.07059	2.9
58.06591	4.3
59.07358	1.8
60.08158	10.7
61.02911	6.4
61.44819	1.9
68.05009	7.4
69.03418	26.6
69.07047	2.6
70.06583	6.3
71.04951	2.8
72.08131	2.8
72.66709	1.8
73.02892	6.5
81.03407	5.1
82.06571	2.8
83.04957	2.5
83.08627	2.5
84.04440	2.0
85.02893	100.0
86.09718	2.7
87.04459	3.2
88.74128	2.0
95.06086	29.1
96.04491	5.0
96.08107	2.9
97.02877	17.5
97.10183	2.1
99.04441	6.1
100.07619	6.3
101.02349	4.7
106.06561	2.3
107.04942	7.3
109.02866	3.8
112.03947	2.4
115.03923	3.6
124.07571	5.1
127.03903	39.6
136.07594	4.1
145.04945	28.7
152.06995	11.8
152.10713	3.2
154.13402	9.6
163.06021	7.6
164.63000	2.3
176.31624	2.4
198.05948	4.4
198.07603	6.0
198.18532	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28164	0.5
60.08155	26.3
68.05024	8.1
72.05199	0.5
78.66363	0.5
80.53767	0.6
85.02901	1.8
91.71146	0.9
95.06083	100.0
111.05562	1.0
127.03909	1.0
127.08775	0.6
154.13383	25.8
198.12369	7.7
214.00493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07861	1.3
60.08154	25.1
68.05018	8.5
85.02894	1.6
95.06078	100.0
97.02865	0.9
98.03231	0.7
154.12122	1.3
154.13382	25.6
166.15749	0.7
181.12698	0.7
198.05933	1.0
198.12387	6.6
198.18510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.6
79.05507	0.6
83.63417	0.4
84.04524	0.5
85.72442	0.4
89.20097	0.4
91.05470	100.0
96.04489	0.9
106.06517	2.3
108.08086	0.5
108.08900	0.4
114.13784	0.4
115.96365	0.5
132.08160	0.5
143.65793	0.4
152.10678	0.7
180.11015	0.8
181.10114	2.6
198.12794	5.2
198.18513	4.3
218.69884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01852	2.0
55.05498	8.5
56.96542	4.6
57.07057	3.0
58.06572	1.3
60.08152	1.6
65.03917	2.2
67.05495	34.8
68.05004	4.8
69.07060	13.5
70.06568	2.0
71.04979	3.9
72.94356	1.3
74.93811	2.3
78.03438	1.0
79.05480	24.4
79.71629	0.9
80.05003	1.9
81.07045	43.2
82.06561	4.7
83.04949	2.7
83.08616	6.3
84.04491	8.7
84.08084	1.3
85.02899	3.0
85.06514	1.9
86.06045	9.9
86.09675	3.3
87.51160	1.2
91.05480	8.9
93.06483	2.0
93.07034	28.2
93.45151	1.1
95.04948	4.9
95.06033	2.0
95.08578	5.0
96.04479	17.9
97.06498	2.8
97.10152	4.6
98.97546	5.4
100.07650	1.8
105.07003	5.5
106.06545	1.6
107.08564	11.7
109.06511	2.6
109.10229	1.4
110.06004	3.8
111.04395	1.7
114.05526	7.3
115.96424	3.0
116.97211	1.5
116.98612	3.0
117.06986	2.6
119.08573	9.9
121.06458	2.4
121.09257	2.5
121.10134	45.2
124.11196	3.0
134.01227	1.2
134.06044	1.8
134.99565	1.9
135.11688	16.8
138.05513	1.6
139.34535	1.4
139.98964	1.5
140.00177	7.4
142.05040	2.3
145.10109	15.2
152.10689	20.5
156.99065	3.7
158.01251	4.7
163.11147	10.3
170.11679	1.8
175.98584	1.6
181.02838	10.6
197.00047	2.2
198.00223	2.0
198.11235	5.7
198.18512	100.0
199.00047	2.3
209.72281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1328
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03937	1.0
55.05252	1.6
55.05502	19.4
56.96545	4.3
57.07061	12.6
60.37992	0.9
67.05492	4.8
68.62882	0.9
69.03439	1.2
69.07042	3.4
74.09697	2.4
79.05483	2.6
81.07053	5.1
83.04975	10.5
84.04497	1.2
85.06519	5.2
91.05466	2.8
93.07029	10.5
95.04944	1.5
95.08589	11.5
97.06524	7.6
98.97569	10.6
102.09180	2.2
105.07018	3.8
107.08588	17.8
109.06504	4.0
109.10143	2.0
111.04433	100.0
111.08081	3.5
113.06020	2.4
116.97240	1.4
116.98617	6.5
117.07052	1.2
119.08590	2.0
121.06506	4.4
121.10155	1.9
125.05987	26.8
127.07556	3.2
134.99657	4.4
135.08052	17.3
135.11687	16.6
137.13245	1.9
139.07553	4.2
139.99036	1.9
140.00192	10.0
145.10121	15.4
153.12717	5.4
158.01245	9.6
158.15388	11.4
163.11157	17.8
175.98576	1.8
181.02859	6.8
181.12213	28.2
198.18581	4.6
199.00038	2.2
199.18916	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49911	0.6
55.05268	0.7
55.05502	4.8
56.96562	3.3
66.53033	0.5
72.04505	7.8
74.09710	100.0
78.01738	0.7
83.08611	7.3
84.04488	0.6
98.97578	8.8
100.07613	24.5
105.74326	0.7
116.97224	1.7
116.98610	5.8
117.10269	2.1
134.99619	4.5
139.01802	0.9
139.98853	1.1
140.00200	7.1
140.25322	0.8
158.01208	6.4
158.76634	0.7
181.02838	8.5
198.18463	1.7
199.00119	1.3
199.17975	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1645
Annotation	Kinabalurine G
Peak:m/z	Relative Intensity
55.05493	12.0
56.38277	3.2
56.96552	12.2
67.05496	28.6
69.07047	14.2
70.06557	5.6
70.84135	3.3
71.04967	13.7
79.05484	12.8
81.07045	100.0
81.55908	4.6
82.06523	3.8
83.04958	4.4
83.08594	7.2
84.08141	5.4
85.06531	5.9
91.05477	11.4
95.08588	15.7
97.06535	6.3
98.09671	35.0
98.97575	21.3
105.07025	8.3
109.06499	7.0
116.98625	20.1
119.08556	11.5
121.10116	7.2
123.11707	7.9
134.99611	9.8
136.07545	5.9
140.00209	15.7
145.33273	5.0
147.11681	12.7
158.01259	19.7
164.14343	9.4
181.02872	14.4
182.08109	6.6
182.15419	24.7
191.75798	4.4
199.40475	4.7
200.09224	18.1
200.16457	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
56.96554	18.6
57.07073	19.9
59.93119	10.5
60.08144	13.7
61.74801	11.4
62.54798	13.2
63.03510	9.8
67.05502	26.8
69.03397	10.8
69.07055	23.3
71.04979	10.6
79.05493	16.7
81.07034	44.4
85.02882	15.7
86.09685	11.5
87.38277	10.8
91.05478	22.7
93.07021	17.8
95.04940	14.5
95.08600	34.0
100.15267	11.6
105.07032	56.7
107.08579	31.0
109.10146	29.6
113.06100	13.9
117.07031	22.9
118.96747	22.8
119.08610	36.9
121.10158	16.0
123.04472	13.9
127.03902	59.6
129.06982	22.2
131.08582	47.2
133.10130	20.3
137.05980	35.1
141.98360	18.5
143.08545	14.8
143.22285	12.0
145.10115	89.0
157.10078	23.7
159.11685	87.2
165.05437	28.3
173.13258	17.8
183.06393	27.2
200.99768	50.2
201.16370	100.0
204.28735	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05480	7.6
55.59740	7.2
55.73772	7.6
56.96537	21.2
57.03425	10.9
57.07081	12.6
60.08155	10.2
63.93959	8.4
67.05486	11.5
69.07065	13.8
77.54528	8.1
81.07048	23.8
91.05486	17.7
93.07037	12.5
95.05011	9.9
95.08623	12.2
99.04422	10.1
105.07021	11.6
107.08672	11.5
118.96740	12.0
119.08598	29.0
127.03934	37.0
131.08556	14.5
133.10115	11.9
141.05498	13.7
141.98380	34.2
143.08511	10.1
143.51115	10.2
145.10138	39.9
157.10129	13.9
158.10875	15.2
159.11699	50.6
165.05457	14.7
171.11632	11.9
173.13237	12.3
183.06482	17.6
200.99747	16.0
201.16331	100.0
224.75345	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2165
Annotation	DDAO
Peak:m/z	Relative Intensity
51.65383	1.2
54.59745	1.4
55.44333	1.4
56.96540	1.6
57.07067	15.2
58.06580	3.0
62.05840	1.6
62.06081	16.2
62.73146	1.3
70.77126	1.5
71.08612	7.1
85.10165	4.7
117.16737	1.6
164.72627	1.6
167.53101	1.5
177.61444	1.8
184.20581	5.9
202.21642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1503
Annotation	SDMA
Peak:m/z	Relative Intensity
56.05024	15.3
56.29529	1.9
57.03414	3.4
58.06582	2.9
59.33974	2.0
60.04519	22.2
60.08169	5.4
60.91081	1.9
65.24429	2.1
68.05004	3.2
70.06580	100.0
71.04965	3.1
71.06100	27.9
72.08119	3.7
72.53896	2.9
74.02422	3.2
74.06068	16.5
74.78480	2.5
84.04497	13.8
84.08154	4.0
85.02859	2.5
86.06059	8.6
88.08738	22.2
97.02881	3.9
98.06069	5.7
100.07604	2.6
102.05521	22.2
105.60452	2.4
112.07629	4.6
114.05519	39.6
115.08702	7.8
116.07073	40.2
126.05476	3.6
127.03870	2.5
128.88091	2.7
133.09732	4.5
140.07071	6.5
144.06538	4.0
157.13287	3.2
158.12877	15.5
172.10921	5.7
186.07645	6.1
203.05299	21.3
203.10219	24.7
203.15207	44.5
204.08652	3.3
215.43694	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol
Peak:m/z	Relative Intensity
55.05490	1.3
56.05040	1.4
57.03451	1.2
58.06583	3.3
58.43709	0.9
59.07378	2.2
60.04519	100.0
60.08141	3.2
61.02900	2.2
63.19648	1.0
68.05022	8.5
69.03422	1.9
70.76436	1.1
72.08157	2.6
77.85668	1.2
81.03409	1.8
83.04995	1.3
84.04493	12.2
85.02905	8.4
96.04475	12.1
97.02889	12.6
98.06063	1.8
99.04445	3.1
100.54472	1.1
101.48246	1.0
104.58861	1.1
107.04972	1.4
109.02871	1.1
110.04467	1.1
110.06003	2.8
114.05544	8.9
117.05523	1.4
120.08105	1.2
125.81570	1.1
126.05527	15.6
136.07581	2.2
144.06592	2.8
145.04982	2.7
168.06560	4.1
186.07642	1.6
204.08659	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol
Peak:m/z	Relative Intensity
51.07780	0.7
55.05492	0.7
57.03440	0.7
60.04517	100.0
60.08150	1.0
62.42387	0.7
68.04691	0.7
68.05009	3.8
69.03416	1.6
71.05016	0.8
81.03423	0.8
83.01328	1.2
83.04966	1.5
84.04491	6.7
85.02901	8.4
86.09694	1.4
94.88165	0.8
96.04477	6.0
97.02893	6.4
98.06049	0.8
99.04453	3.0
109.02867	1.1
110.06019	1.7
114.05514	4.9
117.05515	0.8
117.21536	0.7
118.42574	0.8
126.05508	7.8
138.05475	1.6
144.06523	1.2
145.04976	2.8
161.45084	0.8
162.07629	1.6
168.06570	2.2
168.60609	0.9
186.07573	1.5
204.08638	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.1
53.85310	0.7
55.01848	0.9
57.07071	36.9
58.48965	0.8
60.04515	1.8
65.03929	11.5
65.33335	0.8
67.83879	0.9
84.04520	1.0
85.04807	1.0
93.03392	3.3
97.02882	3.2
109.02836	1.5
111.04420	1.8
116.53050	1.0
121.02869	16.1
121.03959	3.3
145.59235	1.3
149.02338	100.0
155.19168	0.9
156.71008	1.1
165.05119	1.4
175.31731	1.1
190.04951	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
53.33030	0.7
54.76422	0.7
58.06587	1.7
60.04499	2.7
69.03410	1.7
72.08118	1.5
74.02426	2.7
81.01546	0.8
81.03393	1.3
85.02890	2.1
91.05470	3.8
97.02885	0.9
99.04337	0.9
109.02914	1.5
115.05412	4.9
117.05781	2.3
117.07014	3.2
118.06536	53.3
130.06529	3.5
132.08083	12.7
142.06474	4.8
143.07285	5.9
144.08081	21.6
146.06001	100.0
149.02351	2.2
159.09157	9.6
160.07613	1.3
170.06015	7.3
188.07060	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03933	4.3
55.01852	5.2
55.05501	1.8
56.96550	3.8
57.03423	1.5
58.06585	2.1
59.07367	1.7
64.43662	1.1
65.03935	3.1
67.05172	1.8
67.05497	19.7
70.69910	1.2
71.04979	18.9
76.01926	1.3
77.10989	1.3
79.05483	23.3
81.03412	5.4
81.07057	3.2
83.04965	2.4
85.06519	1.9
91.05471	33.1
93.07041	5.7
94.06567	3.1
95.04967	18.0
103.05450	3.2
105.03405	1.4
105.04500	2.4
105.07030	15.8
107.04949	100.0
109.02872	10.9
111.04424	2.5
111.08092	2.1
115.05463	5.2
117.07014	12.5
119.01910	1.9
119.04954	3.3
119.08578	17.6
120.01996	1.6
120.08147	1.8
121.02834	3.2
121.06493	7.3
121.97584	3.5
123.04420	3.3
126.10293	2.9
128.06244	8.9
129.07013	2.4
130.06577	2.4
131.08557	2.8
133.06493	5.5
133.10159	8.6
133.88818	1.3
142.03506	2.4
143.03645	5.0
143.08528	9.6
145.06520	7.6
147.08066	10.8
147.11679	1.5
149.09621	1.5
153.07008	1.5
161.09621	19.6
165.05069	4.0
166.05206	9.5
171.08022	5.9
179.10690	1.6
189.09088	13.7
206.99225	1.6
207.04482	2.1
207.06273	3.8
207.10179	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41531	9.4
56.96552	42.6
58.06603	11.7
64.75079	9.2
67.05499	20.3
69.03398	10.6
71.04981	14.4
79.05464	15.0
80.90051	9.3
80.94983	12.5
81.03398	17.6
83.04971	14.8
91.05476	50.5
93.07034	16.3
94.06573	17.7
95.04988	17.6
105.07055	29.8
107.04960	56.1
117.06985	20.5
119.01962	12.2
119.08587	33.4
120.02005	24.1
121.97543	19.4
125.02541	13.7
126.10302	17.1
128.06209	16.5
130.06535	24.4
133.10168	18.6
142.03487	23.6
143.03679	33.4
143.08578	21.9
161.09621	42.4
165.05107	40.4
166.05223	100.0
184.04543	16.8
189.09053	15.8
206.99298	24.1
207.06226	24.9
207.08020	16.2
207.09930	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52154	11.0
53.00298	10.7
56.96546	49.7
58.06590	17.8
60.08143	12.5
65.92637	13.2
69.03407	24.2
69.55710	10.9
69.59556	12.3
71.04972	47.9
72.08141	19.2
81.03458	12.7
81.07060	20.1
83.04992	13.2
90.32511	12.6
91.05473	14.9
93.07060	15.7
94.06571	17.9
95.04972	15.7
105.06989	34.3
107.08588	24.6
120.08064	19.9
121.10116	10.9
121.97618	30.5
123.08145	20.0
126.10265	23.9
130.06538	32.0
130.25562	13.9
137.03033	13.9
137.09641	56.1
140.84497	12.0
142.03505	19.8
143.03592	41.8
149.09630	58.0
165.05081	41.8
165.12724	13.4
166.05212	100.0
168.83833	12.5
173.58334	13.6
176.61766	12.9
201.88467	15.0
206.99181	33.5
207.06235	30.7
207.11377	12.8
207.13852	15.5
222.78665	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.72688	4.2
53.00280	5.7
55.05492	6.2
56.96553	11.5
57.67429	4.8
58.06588	14.5
59.07367	7.9
60.08144	6.6
65.92638	5.1
66.03219	5.0
67.05488	11.6
69.07028	8.6
72.08136	34.5
78.17799	5.7
81.07042	34.7
83.04951	11.6
85.02914	6.9
91.05466	12.8
93.07049	8.8
94.06555	17.0
95.04926	9.5
105.07019	24.6
107.08583	38.9
109.06486	19.5
119.08600	17.8
120.01974	8.9
120.08079	6.7
121.10154	8.1
121.97620	6.2
122.75014	6.9
123.08088	12.4
123.11668	8.6
126.10252	52.6
130.06520	100.0
133.06465	6.3
143.03593	16.0
147.11684	23.7
149.09628	17.7
151.07521	50.8
165.05099	12.2
165.12750	12.4
165.96541	8.3
166.05229	24.4
166.07091	5.5
206.99232	20.2
207.06377	18.2
207.13766	19.6
224.17616	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	Plastoquinol-1
Peak:m/z	Relative Intensity
55.05502	1.5
56.77790	1.3
57.03883	1.4
67.05490	4.4
69.02717	1.7
69.03427	2.6
79.05490	2.6
81.07050	18.6
83.04980	2.0
83.31753	1.4
85.06535	3.7
91.05482	5.6
93.07031	4.5
95.04948	6.9
95.08591	10.2
105.06990	9.7
107.08584	24.6
109.06509	16.6
109.10203	2.3
119.08581	9.6
121.10130	6.2
123.08058	16.8
123.11691	3.6
130.06540	2.9
131.08560	3.0
133.06471	3.4
145.10156	2.3
147.11671	12.0
149.09608	12.9
151.07530	100.0
165.09163	1.6
165.12689	7.9
171.11703	2.0
189.12782	6.9
207.13770	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05510	6.7
56.96537	7.8
58.06591	6.2
61.28925	6.7
67.05479	12.3
69.03413	18.9
69.07063	8.8
72.08155	6.9
74.37791	6.9
79.05486	15.9
81.07037	34.3
85.06548	10.9
91.05479	35.2
91.71614	10.6
93.07048	13.6
94.06562	12.2
95.04974	39.5
95.08594	25.5
97.06570	8.5
105.07034	48.0
107.08592	74.8
109.06521	20.8
117.41415	6.7
119.08570	27.6
121.06528	14.0
121.10146	28.3
123.08068	45.3
123.11707	10.7
126.10259	16.5
130.06544	25.4
131.08568	24.3
133.06519	8.2
134.25514	8.2
143.03606	11.6
147.11671	46.9
149.09590	75.0
151.07527	100.0
156.09311	12.9
158.25279	7.1
165.12770	21.6
166.05183	12.7
169.78329	7.1
171.11852	11.5
189.12807	28.0
193.20970	7.5
207.13794	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	3.0
55.05510	8.0
56.96559	3.9
57.91270	2.0
65.03932	2.2
67.05497	24.7
69.03420	2.4
69.07072	5.2
71.04990	2.3
72.08148	2.2
77.03936	2.3
79.05482	36.3
81.03426	2.4
81.07049	18.2
82.18009	1.8
85.06558	3.7
91.05468	53.3
91.57707	1.9
93.07033	100.0
93.31503	2.4
94.06573	2.7
95.04961	19.9
95.08601	5.3
105.07017	23.2
105.07629	2.5
107.08640	8.5
109.06532	5.0
117.07056	2.9
119.01927	3.4
119.08557	11.7
120.02048	7.0
121.06541	3.3
121.10104	2.6
123.08083	3.1
125.02618	3.0
126.10300	4.1
129.07047	9.6
130.06538	5.3
133.10153	5.1
137.06062	2.0
142.03520	4.1
143.03590	14.4
143.08594	3.7
145.10153	4.2
147.11671	40.2
161.09628	3.6
161.13249	5.5
165.05104	17.2
166.05211	24.3
171.11682	14.3
189.12679	10.9
207.06335	6.0
207.13745	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0961
Annotation	Chalcone
Peak:m/z	Relative Intensity
62.11631	17.6
70.06655	14.3
79.37585	13.7
81.07072	13.8
91.05498	14.3
103.05513	48.3
105.03416	21.0
106.88354	17.1
129.80920	18.7
131.04900	100.0
141.01332	14.0
146.26169	15.8
168.02594	18.3
168.05066	19.5
178.89734	15.7
209.09630	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89371	1.6
53.03923	2.9
56.96548	3.9
57.03409	4.8
65.03930	3.5
67.05487	4.4
70.06564	2.6
75.04485	3.7
79.05476	6.3
81.03413	3.3
81.07061	1.9
85.53989	2.1
91.05464	16.9
95.08588	2.1
105.07034	10.1
107.04921	2.4
107.08582	100.0
109.06509	8.1
121.10090	2.3
123.97424	2.1
135.08040	82.3
137.06996	2.3
138.14314	2.1
202.78522	2.5
208.99149	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.89371	1.6
53.03923	2.9
56.96548	3.9
57.03409	4.8
65.03930	3.5
67.05487	4.4
70.06564	2.6
75.04485	3.7
79.05476	6.3
81.03413	3.3
81.07061	1.9
85.53989	2.1
91.05464	16.9
95.08588	2.1
105.07034	10.1
107.04921	2.4
107.08582	100.0
109.06509	8.1
121.10090	2.3
123.97424	2.1
135.08040	82.3
137.06996	2.3
138.14314	2.1
202.78522	2.5
208.99149	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01845	0.8
55.05495	1.0
56.96561	1.2
57.07064	4.5
62.90562	0.8
65.03938	1.0
67.05492	7.2
69.07066	1.0
70.06549	0.9
71.04966	3.1
72.20435	0.9
73.93854	0.9
78.20008	0.9
79.05470	4.3
81.07050	6.1
83.04965	1.0
83.27476	0.9
83.42624	1.1
85.06501	1.2
91.05463	4.9
91.71049	1.3
93.07029	5.4
95.04965	5.6
95.08597	5.4
98.79668	0.8
105.07031	5.4
106.47424	1.0
107.08584	7.5
108.79173	1.1
109.06509	100.0
109.10144	16.0
117.07023	1.9
119.08535	1.7
121.10125	3.2
123.08060	7.6
131.08531	8.2
131.65654	0.9
133.10170	2.8
135.08049	31.5
145.10112	1.8
147.11705	1.6
149.09615	2.6
149.13289	1.4
153.09061	2.0
158.10966	1.5
173.13260	5.3
191.14326	15.0
209.15309	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.86596	0.5
53.71277	0.5
54.14186	0.6
54.25711	0.6
55.05508	0.9
56.96558	1.6
57.07057	4.8
65.39003	0.5
66.42638	0.6
67.05494	4.7
69.03402	1.3
69.07043	2.3
71.04996	4.5
79.05497	3.4
81.07048	5.1
83.04968	0.8
83.08592	0.7
85.06498	0.7
85.94944	0.7
91.05477	3.8
93.07044	3.5
95.04960	4.2
95.08597	5.4
97.06524	3.8
105.07033	3.9
107.08569	6.3
109.06506	100.0
109.10141	10.4
111.08054	1.3
113.02354	1.9
117.07023	1.4
119.08578	1.7
121.06538	0.8
121.10115	4.3
123.08049	8.0
131.08569	4.4
131.12492	0.7
133.10153	3.4
135.08035	20.1
145.10138	1.3
147.08025	0.8
149.09619	2.1
149.13275	1.6
150.10373	1.3
151.11130	4.2
153.09088	3.1
158.10875	1.0
161.09686	1.4
173.13226	6.1
191.14275	20.4
209.15331	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.33807	11.4
55.05496	23.6
56.96566	100.0
57.07062	10.2
65.03920	38.9
67.05483	16.7
67.92492	13.7
69.07050	46.7
73.52618	10.9
74.35831	10.9
78.20870	11.7
79.05452	20.6
83.01326	54.6
85.06586	12.9
91.05494	13.3
93.07035	14.7
95.08607	14.3
97.06512	25.5
99.08082	38.1
101.05991	19.1
107.08583	17.6
109.06498	33.1
109.10123	12.3
111.08077	27.7
119.00203	19.6
119.08587	15.0
121.02879	17.5
121.10153	23.5
123.97440	20.5
125.09663	26.2
126.36455	13.1
129.29034	10.7
130.09561	11.6
133.10081	17.3
135.08096	31.6
139.07564	30.4
139.26192	12.8
142.01762	23.1
149.02374	84.6
149.03433	19.4
149.09607	22.1
151.03183	13.4
153.09071	16.1
160.02815	36.9
183.04428	56.5
191.14325	38.5
193.03409	13.2
193.04851	68.1
208.45264	16.5
208.99136	18.7
209.15347	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1602
Annotation	DIMETHIRIMOL
Peak:m/z	Relative Intensity
53.99330	11.3
55.05508	15.2
56.96537	38.5
64.49937	11.2
69.07055	17.9
70.06583	16.7
72.08147	83.1
81.03383	13.2
83.04967	27.1
110.79942	13.3
126.10255	81.2
136.08690	17.0
186.99307	15.5
196.39963	14.4
210.15970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
53.93722	2.1
55.01883	2.3
56.62752	2.8
56.96547	6.9
57.07063	8.7
58.81824	2.7
59.04998	3.5
62.74504	2.4
67.01854	6.0
67.05503	5.9
67.86219	2.8
68.99786	2.9
69.03422	4.4
74.74380	2.7
77.94950	2.5
81.03429	3.4
90.58376	2.9
95.04938	8.4
95.08611	3.6
95.47821	3.2
117.06290	3.0
117.22911	3.2
122.18421	2.9
123.04420	27.2
127.03918	9.2
136.21234	2.8
139.03906	27.3
151.03896	40.8
153.05457	3.9
155.03391	100.0
165.05554	4.7
165.09117	4.5
169.04968	9.9
193.08612	13.9
211.09631	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.9
57.07064	5.3
62.41519	1.8
64.17464	1.8
83.99986	1.7
93.26591	1.7
98.98460	100.0
106.56605	1.6
109.57728	1.7
117.03723	1.7
140.01082	13.2
140.50470	1.7
147.79372	1.9
150.36659	2.1
168.00119	1.9
171.79642	2.2
189.67767	1.8
211.11154	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	80.5
69.03429	75.4
83.04983	100.0
130.74294	57.7
130.92468	57.7
199.02927	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	19.0
56.96557	9.9
59.99594	5.5
60.36789	6.0
60.47051	5.5
69.03439	8.7
70.94257	5.9
72.83428	5.8
81.03396	8.8
81.07060	9.4
82.00852	8.1
83.08620	15.2
84.04494	25.5
85.02900	25.9
86.06087	11.4
97.02871	6.8
98.06056	11.1
102.05560	13.6
107.04950	9.3
110.06076	7.2
111.04483	12.5
127.03928	10.7
130.05003	100.0
136.07573	9.3
152.07108	9.9
166.08620	10.4
194.08104	12.7
210.99780	8.4
212.09171	16.9
212.12752	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1645
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
55.05500	6.1
56.05017	6.2
67.05490	40.5
69.07042	3.5
70.06580	50.0
71.04973	7.5
79.05476	28.6
81.07046	69.9
84.08126	39.4
85.06547	4.6
89.89217	3.2
91.05457	24.3
91.66097	3.4
93.07033	48.2
95.04943	8.0
95.08601	27.5
97.06536	5.4
98.09738	3.8
105.07023	4.4
107.08591	15.3
110.09664	22.0
117.07038	4.5
123.14271	3.2
128.66245	3.8
131.08565	4.4
133.10141	5.8
135.08090	3.8
135.11708	16.6
142.45619	3.2
143.05516	4.1
159.11746	4.4
160.16704	4.2
194.15404	15.1
212.16423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	MKN-003B
Peak:m/z	Relative Intensity
51.83444	2.3
52.68212	2.3
55.05495	8.6
57.07083	2.4
67.05489	27.3
69.07051	7.9
71.04983	100.0
72.93776	4.2
75.20854	2.4
79.05489	15.5
80.35245	3.1
81.07050	31.9
83.08587	4.1
84.20036	2.7
85.06517	22.9
90.94831	3.5
91.05470	13.0
93.07037	36.9
95.04948	7.4
95.08585	20.5
97.06525	18.7
102.65845	2.4
105.07018	10.6
106.75947	2.6
107.08547	5.7
109.13136	3.0
111.08088	8.4
117.07018	10.4
119.08518	3.1
121.06463	4.1
121.10175	5.3
126.20101	2.6
131.08560	13.3
133.10112	8.5
135.11708	14.9
138.42548	2.8
147.11670	3.1
148.01996	3.2
149.13248	9.3
159.11693	20.1
165.12805	3.2
172.97614	3.9
177.12724	23.2
194.08093	3.3
195.13849	15.6
195.79008	3.2
213.14934	9.1
220.80002	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
53.32389	8.1
54.14741	7.8
55.05492	20.7
56.96555	22.5
58.65331	7.8
61.64981	7.7
66.84063	7.8
67.05486	37.9
69.03413	8.5
71.04981	100.0
72.93776	16.6
79.05458	30.3
81.07043	53.9
83.08585	11.6
85.06541	21.4
90.94838	16.3
91.05447	15.8
93.07028	34.4
95.04934	15.3
95.08595	18.0
97.06516	19.4
107.08598	20.0
113.96383	20.1
117.06947	11.5
131.08563	17.4
133.10107	19.2
136.03931	11.3
145.29507	9.5
149.13283	11.5
159.11702	20.9
166.03542	10.0
169.51924	11.2
172.97681	25.4
177.12724	23.2
213.12575	10.8
213.14691	13.5
214.00272	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94950	4.9
56.96563	5.8
57.07054	17.5
69.07051	6.2
71.46638	6.1
74.06088	6.0
80.04991	5.9
86.69198	5.7
88.07626	20.2
91.05476	6.6
93.07031	8.4
94.00957	5.7
95.08630	5.8
102.09174	9.5
105.07041	41.7
117.06994	6.1
119.08538	36.9
121.10171	12.3
128.06192	8.3
133.10118	6.4
139.07623	6.0
139.60870	5.8
142.07777	9.5
143.08551	38.0
150.39848	6.1
156.09430	6.8
157.10144	39.5
167.99840	6.9
168.06709	8.7
171.11722	25.0
172.16972	100.0
172.97653	9.4
198.14030	8.2
213.16360	80.1
214.00154	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42019	49.9
53.77230	63.2
69.42139	59.1
73.02854	63.3
93.97215	57.8
100.52264	58.9
105.33566	68.6
118.74679	58.4
120.20844	70.6
136.68069	66.8
170.19991	70.2
214.05951	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77467	3.9
55.05502	15.8
55.28919	4.0
56.05871	4.8
56.96552	9.4
57.47947	5.8
58.06568	6.1
67.05500	45.0
69.07048	14.9
71.07219	4.0
72.08120	5.9
72.93777	26.9
76.56429	4.2
79.05488	5.6
81.07048	48.4
83.08605	17.0
84.66159	5.4
84.89184	4.5
85.06526	15.7
88.05183	5.1
88.07619	9.9
88.11048	5.1
90.94787	8.8
91.05476	6.8
91.71013	10.6
93.07002	9.4
95.08598	100.0
97.06525	10.9
109.10143	15.4
113.96394	26.4
119.08572	7.8
131.97415	9.5
133.10132	5.0
144.04433	5.7
154.99040	20.9
155.97391	5.0
161.13234	16.9
172.95660	12.8
172.97733	19.3
176.08495	4.7
179.14221	14.1
190.98779	6.3
214.00403	17.6
214.10707	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.2529
Annotation	Medelamine A
Peak:m/z	Relative Intensity
51.27962	2.2
51.71927	1.9
57.07059	15.5
62.47449	2.4
71.08606	7.1
72.93774	9.6
73.92208	3.0
84.14994	2.7
90.90368	5.1
90.94830	4.4
100.72894	2.7
107.70117	2.7
109.80549	3.0
113.96407	7.8
135.59912	2.6
148.35971	2.7
148.83612	2.5
149.96031	3.0
154.99052	5.5
155.97372	2.8
161.81123	3.0
162.57709	2.7
169.26393	2.8
172.95540	6.4
172.97656	8.8
176.59778	2.6
214.00359	7.0
214.10728	4.2
214.25279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	8.1
67.20931	1.4
70.06577	16.6
71.08608	5.3
71.47277	1.4
88.07623	24.4
91.74336	1.6
102.09171	4.4
104.75010	1.5
106.08659	11.5
200.20027	9.6
218.21133	100.0
224.38123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79749	77.1
62.81163	67.4
67.49201	62.0
75.17226	71.8
110.93099	75.3
188.86569	100.0
219.02748	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1738
Annotation	(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-one
Peak:m/z	Relative Intensity
55.05489	1.8
62.35560	1.8
75.72221	1.7
81.07037	2.7
91.05454	3.1
93.17793	1.6
95.08608	1.8
105.07014	2.4
105.35981	1.8
107.08579	4.0
117.07000	1.9
119.08575	5.8
121.10131	7.4
133.10112	4.0
145.10153	2.7
161.13193	4.5
203.14293	33.6
219.17427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Occidol
Peak:m/z	Relative Intensity
55.05508	16.8
56.96565	8.7
57.07076	20.0
59.81342	6.4
64.69048	6.7
66.79745	7.0
67.05511	31.6
69.03419	9.0
69.07078	28.6
70.06583	8.5
79.05512	23.8
81.07050	100.0
83.08632	20.3
88.52920	8.2
91.05499	34.1
91.71676	8.5
93.07030	42.2
95.08602	60.3
97.06560	20.7
103.29083	7.7
105.07024	67.6
107.08582	61.2
109.06527	17.9
109.10178	26.3
109.32088	7.2
109.47429	7.2
109.74918	7.5
111.08080	9.0
117.07044	17.3
118.06498	8.5
119.08591	59.1
120.91053	8.0
121.10114	57.0
123.11735	16.6
129.07063	9.4
131.08601	35.7
133.10135	57.7
135.11740	13.1
145.10126	52.5
146.09727	8.5
147.11775	24.0
149.09662	9.1
159.11670	55.2
161.13274	16.7
171.11684	8.3
173.13255	11.8
175.14896	29.9
195.85016	8.0
201.16461	34.5
218.21245	24.1
219.17426	85.3
219.21451	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.097
Annotation	Trolline
Peak:m/z	Relative Intensity
50.26032	8.7
55.48484	10.6
55.88675	8.0
56.96560	22.7
57.07097	14.6
65.23489	9.7
73.02889	10.5
77.85519	10.2
79.05517	16.0
84.04533	35.4
91.05511	21.9
96.02455	11.1
103.05497	26.8
105.07031	93.8
106.90188	11.1
121.06570	10.7
131.04991	12.2
137.06055	10.8
164.07007	10.9
174.09169	60.5
192.06644	18.8
205.15955	36.6
219.17564	22.6
220.06177	17.2
220.09612	100.0
220.18042	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.33784	2.0
57.07055	5.0
59.05002	5.5
67.05494	4.4
69.07092	3.1
70.02930	8.0
72.04498	13.3
73.02905	3.3
83.04990	2.5
85.06535	7.1
86.09682	3.3
90.05548	100.0
95.04956	8.8
98.02422	11.0
103.07574	8.7
116.03465	16.5
124.07603	18.3
142.08682	6.9
151.30798	3.3
184.09717	12.6
202.10779	21.0
219.17651	3.4
220.11810	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.46007	1.8
56.96550	3.8
57.03434	2.0
57.07052	2.8
58.06603	2.2
69.03392	2.4
70.06589	3.2
74.74104	2.1
81.03386	2.0
82.02923	4.0
84.04482	2.7
90.05559	5.6
94.05759	2.1
94.06547	6.8
97.02844	3.2
108.08117	8.2
116.03479	2.5
120.08118	2.7
121.06506	5.3
130.05550	3.2
130.06523	72.6
132.04451	43.0
157.07596	25.9
158.06007	79.6
175.08665	100.0
177.12694	2.3
188.59473	2.7
204.06599	4.4
205.15918	4.0
207.10870	2.6
221.09253	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35402	4.3
56.96561	30.6
66.02159	5.2
69.03426	11.6
72.08139	55.1
78.29828	5.4
84.04494	6.1
85.02908	8.4
91.05478	9.7
93.07043	16.8
95.04986	8.6
98.97574	50.6
100.23338	6.0
103.05478	10.5
106.52316	6.1
116.98661	32.4
121.06502	100.0
127.62460	5.5
134.99702	23.5
140.00177	43.2
142.13499	5.7
152.01735	6.0
158.01289	46.7
177.00691	8.1
181.02800	60.9
219.97699	5.5
222.11302	13.9
222.16022	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26289	0.4
56.96558	28.0
57.74407	0.4
71.95243	1.8
72.39444	0.5
74.00787	0.4
90.20629	0.4
91.05452	0.8
91.97813	0.5
97.99174	2.3
98.97572	60.6
100.52633	0.5
105.06989	0.8
108.83620	0.5
116.00215	1.1
116.98609	53.5
117.98906	0.6
119.08570	3.4
121.06472	0.5
133.10118	0.9
134.01257	1.0
134.99648	35.3
135.08032	1.0
137.09610	3.7
139.01775	0.7
140.00177	66.3
141.00525	1.3
149.09579	0.8
149.13261	1.1
153.00681	4.3
157.02838	1.6
158.01241	68.1
159.01575	1.8
161.09604	1.6
176.02299	7.8
177.12732	28.9
181.02829	100.0
182.01662	0.6
182.03171	4.5
199.03877	9.9
204.07489	0.5
222.05484	6.7
222.18521	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
53.00285	0.4
56.96544	1.6
57.07070	7.9
57.20765	0.4
60.95840	0.5
61.81325	0.4
62.32291	0.3
65.03934	4.8
86.09679	0.4
93.03391	1.4
98.03648	0.4
98.97577	3.3
99.04420	0.4
99.97935	0.7
111.04465	1.0
116.87440	0.4
116.98586	2.4
117.98998	0.8
121.02858	8.4
121.03954	1.5
134.99634	1.8
140.00171	3.1
141.00455	1.0
149.02336	100.0
150.02701	0.6
150.15047	0.4
158.01244	4.0
159.01546	0.7
159.43997	0.4
167.03387	2.1
181.02826	5.5
182.03149	2.3
190.05002	6.8
191.05331	0.5
223.05905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73226	0.8
56.96556	8.4
80.05059	0.9
82.05586	0.9
84.96056	1.4
91.05464	6.6
91.70999	1.2
95.05007	3.7
98.97576	15.3
99.97955	3.4
103.05494	1.1
105.03381	26.6
108.04539	1.1
115.05500	4.5
116.98605	11.2
117.07006	33.2
117.99001	2.4
127.05471	1.3
129.88940	1.0
134.99655	7.2
136.00029	2.3
139.15402	1.0
140.00211	14.5
141.00618	4.6
145.06468	100.0
146.06860	1.1
149.02446	1.5
155.06041	7.9
158.01224	16.3
158.66586	1.0
159.01611	5.6
159.96715	1.1
176.02402	1.8
177.00816	1.9
181.02846	16.4
181.04256	1.3
182.01544	1.9
182.03162	8.8
190.07904	3.4
199.03955	1.7
200.02405	1.4
203.08627	2.8
204.09421	3.4
205.10100	12.4
223.06036	1.0
223.11156	30.9
232.84953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25850	3.9
56.60222	4.3
56.74825	3.8
57.07059	10.6
58.06562	5.0
60.08138	10.5
64.96333	3.9
69.07043	4.8
70.06561	5.3
71.34336	4.4
72.08145	100.0
72.41103	3.9
77.53250	5.4
80.12662	5.6
84.08115	4.5
86.09707	11.3
140.10760	7.8
140.11790	54.7
153.97955	4.4
169.00917	4.8
224.09119	5.6
224.17567	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	9.2
72.08149	100.0
90.61623	7.1
105.16032	8.3
140.11830	59.5
224.17593	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40645	4.9
72.08143	86.9
72.08475	7.8
75.26797	6.1
75.89693	6.1
78.92485	5.5
97.06561	27.6
99.09213	8.4
123.96391	6.5
126.10275	100.0
126.11036	8.5
128.11888	18.7
146.36752	7.5
151.67308	6.9
207.15099	10.8
212.42865	7.3
224.17546	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
56.96564	9.1
65.89153	4.4
66.05466	3.7
67.05503	9.7
69.03461	4.7
69.07061	4.7
70.19974	4.9
71.05019	5.9
73.93156	4.9
76.36919	5.1
79.05508	10.7
81.07072	21.5
84.41473	4.1
85.02895	100.0
85.03358	7.2
95.08592	5.7
101.95020	12.3
105.07026	7.5
107.08630	5.7
109.10183	10.8
112.42833	4.9
119.01931	5.8
119.08582	10.8
121.10124	7.5
123.11690	75.0
125.05994	9.4
130.25069	4.6
133.10124	4.7
142.03554	11.9
142.97617	5.1
149.09636	12.2
151.07582	5.1
160.98767	8.9
165.05159	17.2
184.00362	12.6
184.04483	5.6
206.74475	5.4
207.13869	19.1
225.15010	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	4.2
56.96305	4.5
56.96561	61.5
68.99770	3.4
69.07041	7.5
70.06570	3.3
70.25861	3.5
70.56947	3.4
71.04987	41.1
75.49780	3.3
77.10927	3.6
80.17550	3.8
81.07051	11.7
83.08601	7.0
85.32657	4.1
91.05487	5.7
93.07032	4.6
95.08624	9.3
97.99184	5.1
99.04449	100.0
99.09435	4.2
101.95035	5.5
105.07014	7.1
106.39628	3.5
107.08613	30.7
109.06520	20.0
114.67778	4.3
121.10166	12.3
123.08058	10.7
123.11732	7.9
129.80508	4.0
139.05339	7.0
142.03522	8.4
149.09642	11.3
160.98695	5.1
165.05099	7.7
165.12714	9.4
167.04910	6.2
167.10664	15.5
183.13826	26.2
184.00259	9.5
220.15964	3.9
225.14874	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Annuionone A
Peak:m/z	Relative Intensity
51.78037	4.3
52.19107	4.0
55.05502	8.9
56.96553	23.9
57.07060	6.9
57.41838	4.5
64.94579	6.0
67.05499	9.9
67.75277	5.0
69.03418	17.1
69.07067	10.7
71.04987	50.1
74.34136	4.3
79.05477	8.8
81.07044	14.1
83.04962	7.2
85.02897	15.5
88.31429	5.6
91.05479	12.7
93.07077	7.9
95.04959	10.1
95.08598	16.5
97.06528	13.0
99.04450	100.0
101.95058	12.6
105.07037	47.2
105.67087	6.1
107.08589	51.4
109.06538	44.3
119.01913	13.2
119.08575	7.8
120.39211	6.3
120.97960	7.2
121.10166	33.8
123.04482	8.8
123.08043	34.4
123.11699	20.7
125.05979	9.9
125.09605	8.4
127.95118	5.9
137.13272	9.4
139.11160	8.1
139.52454	5.7
142.03477	11.0
142.97581	6.1
147.11719	16.2
149.09625	22.6
151.07556	9.4
158.01187	7.2
160.98772	12.3
165.05109	11.9
165.12753	13.9
167.10689	20.9
167.97357	6.1
171.11710	6.3
181.11897	6.2
183.13747	29.8
183.33223	6.1
184.00252	15.8
184.02704	6.8
189.12784	9.9
202.01396	5.8
202.05472	7.5
207.13834	14.0
223.87274	5.9
225.02968	4.9
225.14825	19.5
239.89496	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.04256	1.1
51.00248	0.9
53.64376	0.9
55.01851	1.1
55.05487	4.8
56.96553	2.4
57.07061	4.6
59.04979	2.4
67.05484	3.0
69.03413	2.1
69.07065	7.5
71.01357	3.0
71.04983	45.5
73.34470	1.2
77.66385	1.0
79.05486	5.1
81.03419	2.3
81.07040	12.9
83.04971	3.0
83.08611	9.6
85.02927	1.3
85.06525	2.2
87.04419	1.3
90.97321	1.1
91.05473	4.9
91.71593	1.9
93.07025	3.7
95.04948	4.7
95.08605	13.5
97.06528	17.7
99.04448	100.0
101.06042	1.6
101.95012	4.1
105.07014	6.2
107.04977	1.2
107.08591	40.6
109.06508	23.4
109.10130	2.0
111.08073	2.5
111.11711	2.3
112.07594	2.1
113.09639	4.6
119.01978	1.6
119.08566	4.4
119.96078	2.6
121.06460	2.2
121.10142	20.3
123.08059	20.5
123.11698	18.0
125.09642	8.4
131.08586	2.1
137.02223	1.5
137.09616	1.9
137.13272	3.2
139.11185	5.0
141.12709	2.9
142.97624	1.9
147.10605	1.2
147.11656	7.0
149.09610	12.8
151.07584	2.4
155.10736	1.2
160.98734	3.1
165.05077	2.6
165.12743	14.8
167.10663	23.3
178.99675	1.6
179.14296	3.4
183.13797	34.4
184.00314	4.9
189.12761	3.0
207.13792	10.1
225.02977	2.3
225.14851	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05499	10.5
55.45423	4.5
59.04995	5.5
65.76295	4.8
67.05505	5.5
69.07053	11.6
71.04980	64.5
79.05502	6.7
81.07052	20.4
83.04962	38.2
83.08584	7.6
85.02883	15.3
85.06558	6.1
87.04456	8.9
91.05493	11.2
93.07059	11.5
93.76267	5.2
95.08611	31.5
96.26516	5.0
96.63105	5.1
97.06514	28.9
99.04446	50.5
99.08089	25.5
105.07034	23.9
107.08597	79.5
109.06514	57.1
111.08073	6.9
119.08570	14.9
120.83966	5.5
121.10137	56.4
123.08064	100.0
123.11716	17.3
125.09653	11.9
127.07571	22.5
127.37778	5.7
137.13245	13.0
139.11171	11.3
147.11682	28.1
149.09622	47.3
151.07545	9.9
155.10641	13.4
165.12704	12.3
167.10698	7.1
178.34465	6.0
179.14285	27.3
183.13786	10.1
189.12720	11.7
194.88841	6.4
207.13834	22.4
225.14771	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25471	1.3
54.88805	1.3
60.95847	4.8
65.03940	2.6
88.10828	1.6
91.05472	100.0
97.56871	1.5
98.21171	1.5
102.96857	6.9
105.80022	1.4
111.57662	1.7
120.97896	5.1
128.23927	1.6
138.98964	4.5
143.99486	6.4
148.07603	2.4
162.00571	6.1
174.75568	1.7
181.10178	3.5
185.02101	13.4
203.03123	1.8
226.12344	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.5
55.05502	17.7
56.96537	5.8
67.05496	6.8
68.99767	8.9
69.03417	6.9
69.07066	3.5
78.93577	2.5
79.05470	8.2
81.07053	15.6
83.04990	3.9
83.08611	37.0
85.10185	4.1
86.09686	4.0
91.05477	33.0
93.07022	11.5
95.04961	32.2
100.11262	12.7
101.02364	6.1
107.08586	48.5
107.09274	4.4
108.47529	3.2
109.06503	29.9
109.10153	11.6
111.04458	4.1
111.08074	100.0
114.85463	2.9
117.07082	2.9
119.03481	4.2
125.09624	14.3
135.08073	12.8
137.06003	5.8
149.09612	6.3
151.07529	4.0
153.09105	50.0
155.07028	4.3
163.01749	4.0
165.07123	2.7
169.08588	67.1
172.92819	3.3
177.09143	3.0
181.02879	3.8
185.11752	21.6
186.03424	8.6
195.10164	48.0
214.29637	2.7
227.12650	3.2
227.17709	3.9
235.01991	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.2117
Annotation	Dihydrocuscohygrine
Peak:m/z	Relative Intensity
50.90896	7.5
51.90939	6.5
53.42225	7.4
55.05486	7.1
56.96550	11.6
58.06580	24.7
60.08155	77.8
60.71346	8.1
69.07066	10.9
70.06586	22.1
75.56990	8.8
78.71136	8.5
83.04977	16.7
84.04495	11.3
84.08125	11.0
86.09720	12.7
88.23346	7.2
108.21171	9.2
110.07214	9.0
135.42526	9.0
136.87042	8.3
174.04434	21.4
197.05989	15.7
209.06010	21.2
227.07016	12.0
227.21181	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	20.2
56.05033	17.9
56.96560	12.8
57.19489	6.4
59.51702	6.6
61.01159	11.3
62.41906	6.6
70.06579	23.3
70.49195	7.3
71.42076	6.2
72.08144	70.2
75.02711	9.4
81.03392	26.3
82.03727	10.9
84.04500	18.3
84.08108	8.1
85.02911	8.4
86.09683	15.7
94.06557	8.9
98.06029	32.0
111.75408	8.1
116.13603	7.1
137.10736	10.2
141.10231	10.8
153.08965	10.9
180.11316	99.1
189.01585	8.3
228.11661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2686
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
57.06727	1.4
57.07051	5.9
58.06580	1.5
59.58597	0.7
60.08158	29.2
63.52205	0.9
68.21123	0.8
71.08602	2.1
72.30602	0.9
73.62716	0.9
137.05983	2.7
144.88722	1.0
171.52994	1.0
218.18367	1.1
228.26848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06721	1.1
57.07069	7.6
58.06580	2.0
60.07871	1.8
60.08154	27.1
63.03230	0.9
71.08612	3.2
81.78846	1.2
84.67807	0.9
85.10188	1.6
91.19907	0.9
101.52783	1.1
137.05969	1.6
228.26840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50991	3.4
55.05512	8.9
57.03432	22.6
59.04995	5.5
64.19780	3.3
67.05495	100.0
67.05830	6.3
81.07074	18.3
83.08620	8.9
89.54181	3.8
91.05509	5.7
91.36055	4.1
109.10150	89.7
119.08584	8.3
173.11838	15.9
187.62454	4.4
195.32355	4.3
196.53551	4.2
229.14282	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23105	2.0
54.57011	1.8
56.96564	4.0
67.05495	16.5
69.07078	11.3
71.04980	4.8
72.41619	2.3
81.07069	5.2
91.05460	2.7
93.07046	2.5
95.05013	8.5
95.08636	5.4
96.19720	2.5
97.25908	2.4
109.10149	100.0
113.72341	2.5
119.08610	4.3
122.07892	2.7
122.51411	2.3
123.11687	12.2
125.11047	2.5
127.11167	31.7
131.43649	2.9
133.10161	5.8
137.09650	10.9
151.11095	3.0
155.10695	3.8
161.09660	3.1
169.12151	2.5
173.11798	7.5
179.10715	11.2
184.93092	2.5
192.39265	2.4
197.11832	7.9
221.86401	2.6
228.97337	3.3
229.00369	3.5
230.28876	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	Leucylproline
Peak:m/z	Relative Intensity
52.03187	3.8
54.61500	3.9
55.05509	8.3
56.05058	6.0
56.96574	5.5
72.08163	15.2
76.26154	4.6
83.08617	24.8
84.04498	100.0
85.02920	6.9
100.11246	97.2
100.11845	7.1
130.05003	47.2
135.51942	4.7
167.42041	5.4
179.45102	5.4
183.14989	9.2
186.65700	5.8
212.12817	52.0
221.44484	5.2
222.60991	5.8
229.15425	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.38420	0.9
52.51730	0.9
52.72820	1.2
53.00174	1.1
58.06590	7.9
59.75571	1.2
60.08158	9.3
65.93700	1.2
68.05008	1.7
70.06580	55.0
71.32355	1.1
72.08165	2.0
84.04494	1.4
96.08110	3.5
98.06071	1.8
114.05512	5.7
114.09117	3.0
118.08780	1.2
124.07594	3.8
142.08626	40.8
142.77547	1.3
170.08162	2.0
190.38403	1.5
200.63744	1.4
229.15446	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47283	14.8
53.03923	13.6
54.59119	13.5
55.05501	22.0
56.96556	97.3
57.03431	19.9
60.08143	45.7
67.05490	55.6
69.03422	30.6
69.07059	21.6
70.06570	25.3
81.03411	37.1
84.04494	23.8
85.02891	24.6
86.06062	39.3
86.75004	15.6
95.04974	48.3
95.08598	25.3
97.02884	25.5
98.06028	31.0
98.97576	73.3
99.04446	23.6
109.02862	17.8
109.10107	20.6
109.65992	16.4
113.05988	48.1
116.98599	37.7
121.20245	16.3
122.09086	17.5
127.03247	47.3
134.99591	18.9
135.04387	30.8
137.09605	18.6
140.00215	53.4
153.81786	23.2
158.01239	45.9
163.03850	100.0
172.09781	18.8
181.02759	38.9
187.17197	18.8
188.27022	17.8
192.53645	20.4
199.57146	18.8
200.02341	22.0
216.01888	24.2
230.10091	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0957
Annotation	Ergothioneine
Peak:m/z	Relative Intensity
51.33216	1.1
51.75133	1.2
53.24751	1.1
58.99569	1.0
60.08157	35.1
60.08459	1.9
60.46555	1.0
67.04245	3.9
68.05019	8.2
69.05800	15.2
75.21361	1.1
83.06127	1.3
86.00678	4.1
94.05315	2.5
100.02208	11.8
127.03253	100.0
143.02739	2.0
150.41193	1.4
157.28276	1.3
186.10599	27.6
230.09572	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78828	5.3
55.05511	28.8
56.96549	6.7
57.03432	5.9
59.04994	9.7
60.08152	17.8
61.45459	4.4
63.83761	4.1
68.05016	7.9
69.03418	19.5
69.05808	4.2
70.06577	20.4
72.08143	29.2
81.03399	21.7
83.05000	4.4
84.04499	9.3
84.08134	8.4
85.02887	13.1
86.06044	37.3
86.09689	6.3
97.02873	25.1
98.06053	58.1
109.02906	7.0
110.06019	9.1
112.07618	12.8
114.12788	5.2
127.03278	25.6
129.10219	6.3
130.05014	10.4
182.08167	7.2
184.09673	100.0
186.10573	7.9
194.08183	19.7
212.07539	6.3
212.09254	14.5
230.10178	63.6
232.34517	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1388
Annotation	crotonyl-L-carnitine
Peak:m/z	Relative Intensity
55.05511	31.4
56.96548	7.5
57.03417	7.9
57.64067	5.7
58.06582	8.8
60.08157	15.1
61.59432	4.8
69.03418	9.1
69.07053	15.6
71.04977	6.2
72.08168	7.3
74.96214	5.4
81.03412	10.0
83.08611	26.4
84.04516	10.1
85.02899	100.0
86.06037	10.6
91.05463	5.7
95.43554	6.8
100.11252	97.3
102.05543	48.1
103.90899	5.6
109.49773	6.5
127.03290	20.6
184.13316	91.6
189.12733	14.5
230.10139	16.9
230.13708	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	16.1
56.96557	4.8
57.03425	6.8
68.47211	4.6
69.03419	100.0
69.07043	10.2
71.04984	20.3
79.44781	3.9
81.03409	66.2
84.85111	4.2
85.02894	49.7
87.00823	19.5
93.02054	4.2
97.02871	13.2
97.58327	4.7
97.97817	4.7
99.04453	32.6
103.69131	4.3
109.02869	25.4
127.03912	44.1
173.08517	4.9
195.94641	4.6
207.46747	5.4
228.80298	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57641	2.1
53.03942	18.2
53.04160	2.6
53.65911	2.6
53.92241	2.1
55.01872	6.6
55.05511	4.6
57.03440	3.6
60.08166	4.6
64.14559	2.3
66.07732	2.8
68.99809	3.5
69.03420	100.0
69.03768	6.0
69.07070	2.6
69.88514	2.0
71.04995	10.6
72.08144	40.5
81.03410	49.2
85.02892	36.6
87.00849	13.3
97.02882	26.1
97.03363	2.7
99.04454	25.7
109.02885	20.6
113.80652	2.7
119.43844	2.5
127.03921	27.0
129.07030	2.6
129.86911	3.2
131.71831	3.1
132.10251	5.0
145.04922	3.2
157.06551	4.9
182.20409	2.8
213.03824	4.1
231.17221	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	39.8
69.03404	62.3
69.07049	24.6
81.03445	44.2
85.02895	35.5
91.71065	47.9
93.06998	39.5
101.01176	31.9
105.07027	70.1
115.40467	37.7
119.08566	50.0
120.03461	35.4
126.60240	27.4
133.10101	66.7
143.08589	71.6
145.10091	37.2
157.10109	74.0
159.11752	51.4
171.11617	52.9
185.02869	37.3
185.13235	42.3
213.16414	52.0
231.06123	61.5
231.13786	36.7
231.17368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1443
Annotation	Aminopyrine
Peak:m/z	Relative Intensity
55.89058	2.2
56.96561	5.2
57.03433	2.6
60.08172	3.6
64.43430	2.6
69.03441	3.7
69.07095	2.6
70.06600	7.4
72.08144	100.0
76.00191	2.6
76.82542	2.4
87.88165	3.0
95.57703	2.9
97.02894	3.3
98.97605	3.4
102.29356	3.0
107.04947	5.4
114.12836	10.2
115.13195	5.1
137.77559	2.6
214.10774	4.2
232.12091	4.7
232.14398	48.2
251.40202	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	7.9
59.76088	2.6
60.24348	2.6
63.47028	2.9
69.03413	8.0
70.03767	3.9
70.06575	4.8
72.08147	100.0
75.58875	2.9
81.03420	3.6
84.08112	3.3
85.02897	6.9
97.02901	3.9
97.86715	3.6
98.03217	3.9
99.48838	3.4
102.55965	3.3
107.04945	6.1
121.02863	4.1
130.08739	4.1
135.62801	3.2
137.22220	2.9
227.83690	4.0
232.09618	4.2
232.11983	8.5
232.14395	55.4
233.08768	3.5
239.58058	4.0
248.45158	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87571	1.6
56.96558	1.9
57.07065	5.0
59.42486	1.6
62.15113	1.5
70.06581	18.4
71.08618	4.0
75.85530	1.8
85.10173	1.9
88.07629	21.6
91.05484	1.6
102.09164	7.5
106.08657	10.4
145.84215	1.7
173.61131	2.0
184.72183	1.7
214.21672	7.8
232.22702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0808
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
54.11305	4.6
55.01862	7.1
55.39627	4.8
56.96568	15.7
58.06612	13.2
60.08164	5.4
67.05500	16.6
69.03436	15.8
71.52151	4.9
72.09704	5.8
73.27312	6.2
76.17750	5.4
76.31610	6.9
78.27894	5.8
79.05491	5.7
85.02927	7.0
91.05502	14.0
91.71722	14.4
95.04977	12.9
96.12044	5.8
104.22571	6.9
105.07054	13.1
107.04982	13.9
111.04482	29.2
119.08648	7.2
121.02906	14.7
121.06458	7.6
123.04427	46.2
131.08578	8.0
133.06543	17.9
134.17088	6.5
136.47495	6.8
137.06004	9.6
141.07033	11.3
144.05734	10.5
147.08047	11.5
150.96938	10.5
151.03960	11.3
155.97517	8.3
156.07777	7.1
159.08008	13.8
161.05949	100.0
163.07594	8.4
175.07600	14.8
187.07573	27.3
187.09193	9.9
189.05557	25.2
198.77394	6.9
214.98688	12.7
215.07150	23.0
233.08037	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1132
Annotation	4-(L-gamma-Glutamylamino)butanoate
Peak:m/z	Relative Intensity
56.05040	3.5
56.52793	2.0
56.74857	2.0
56.96560	4.3
58.06600	11.3
69.03423	13.9
69.07074	8.6
70.06595	2.8
72.08173	7.6
72.59499	2.3
74.06059	2.6
84.04496	100.0
84.04996	5.0
85.02921	7.0
86.06058	58.4
86.06551	3.9
86.09697	53.5
87.04456	58.1
87.04939	3.3
91.71018	3.1
95.21262	2.7
97.99254	3.3
100.11250	46.1
101.33705	2.7
102.05563	4.0
104.07096	87.5
104.07749	5.3
107.05001	2.8
120.06590	3.1
124.07637	9.2
128.07074	4.1
129.02863	2.7
130.05009	19.7
130.81116	2.6
136.48747	2.6
141.79138	2.7
152.07187	8.4
170.08101	14.8
187.10921	2.9
198.07687	9.0
216.08684	31.5
233.11281	19.1
233.14955	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1492
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
53.19525	1.4
56.96554	5.5
60.04521	9.9
72.08144	3.5
86.09701	100.0
90.94814	2.0
98.99267	1.7
102.05514	4.1
107.04951	3.4
109.45279	1.9
116.98683	2.0
120.06568	18.7
130.04961	2.0
132.95840	2.4
150.96889	4.2
155.97417	5.2
173.98541	3.3
197.00151	5.7
214.98805	7.3
233.15096	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Pinguisanin
Peak:m/z	Relative Intensity
56.96545	22.8
57.31153	13.2
63.68495	18.4
64.66682	13.6
67.05492	20.6
68.11966	19.7
72.38836	19.5
74.24420	15.4
81.03405	30.6
81.37966	18.0
88.47296	16.0
91.05495	17.7
215.49455	20.3
233.15355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.16505	2.1
55.05490	3.6
56.96549	3.1
59.06445	2.0
59.06756	2.2
67.12692	2.6
69.03410	3.2
69.07056	2.8
78.78273	2.2
79.05482	68.5
83.08582	8.3
91.05465	6.2
91.71062	5.3
93.07012	3.9
95.04951	9.2
105.07005	7.2
107.04947	73.7
107.08573	10.8
111.08055	6.2
119.08559	5.3
121.10122	4.6
131.08556	5.6
133.10109	7.9
135.72337	2.4
140.13071	2.6
145.10133	3.1
147.11656	7.4
149.09604	7.7
168.31082	3.0
168.94084	2.7
173.13234	6.6
175.11153	8.5
185.36803	3.0
191.14282	62.5
233.15343	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1534
Annotation	Hypacrone
Peak:m/z	Relative Intensity
56.96539	22.3
67.05498	14.9
69.03414	14.7
75.66476	9.0
77.80769	11.1
79.05473	55.7
81.07058	20.7
91.05483	26.3
91.71653	11.9
93.07021	16.9
95.04971	31.9
95.86162	9.2
101.73209	10.6
105.07028	29.1
107.04938	84.0
107.08597	11.9
109.06471	11.5
111.04441	10.6
119.08591	20.9
121.10235	12.2
131.08571	28.5
140.13846	12.0
141.14049	10.2
145.10117	28.6
147.08061	15.0
147.11749	31.0
175.11217	28.5
191.14340	63.4
233.15331	100.0
245.66585	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
55.05504	18.4
56.96557	8.3
57.07064	7.4
65.03922	6.3
67.05492	16.9
69.03411	15.2
69.07063	6.6
71.04989	10.6
74.41795	5.4
75.53716	5.6
79.05489	33.4
79.22042	5.3
81.07045	11.8
83.08611	7.4
85.06541	13.7
88.07613	8.1
91.05467	26.3
91.58095	5.7
91.70991	11.9
93.07025	18.1
95.04961	29.9
95.08596	22.0
105.07004	38.2
107.04928	37.6
107.08587	25.7
109.10155	13.7
112.61129	5.7
117.07030	16.2
119.08569	100.0
121.06551	7.1
121.10162	25.8
129.06862	6.6
131.08575	20.5
133.06503	8.2
133.10152	31.0
135.08031	7.9
137.09612	12.2
139.05959	6.2
145.06575	7.4
145.10114	27.7
147.08026	14.9
147.11688	19.1
149.09610	12.2
159.07996	7.5
159.11737	20.3
161.13219	6.7
171.11758	9.4
173.13235	19.9
175.11086	7.9
177.09081	6.3
187.14891	16.9
189.12709	7.8
191.14297	28.3
197.13252	8.3
199.16673	7.2
209.34822	6.2
215.14346	12.1
215.18007	8.1
218.76233	6.7
226.14203	6.8
229.88684	7.5
232.22630	32.7
233.15355	64.3
233.19029	25.7
233.23091	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Furanether A
Peak:m/z	Relative Intensity
52.53107	7.8
55.05487	8.6
56.96546	8.4
57.07080	8.1
63.12111	9.5
68.20525	9.0
69.03419	13.2
70.29532	7.8
78.06713	11.0
79.05479	44.4
80.72787	9.5
81.03409	8.8
83.08662	11.1
87.32792	8.9
95.08659	12.4
105.07063	13.7
107.04958	39.0
111.08048	11.9
119.08591	17.5
131.08554	12.7
133.10146	9.6
145.10234	12.3
173.13356	13.0
191.12006	10.3
191.14334	50.9
233.15356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.72806	5.8
53.03935	6.1
55.05497	19.3
57.07062	14.6
67.05495	34.8
69.03435	7.1
69.07054	17.5
71.04984	11.6
79.05485	40.4
79.93883	4.8
81.07050	40.6
83.04968	8.0
83.08601	10.5
90.03555	5.4
91.05471	44.5
91.71647	11.6
93.07040	83.3
95.04963	20.7
95.08604	66.3
97.06533	19.0
102.57773	5.4
105.07022	65.6
107.08587	47.6
109.06461	6.7
109.10139	19.2
111.08076	19.7
113.06016	6.7
115.91646	5.6
117.07019	13.3
119.08585	71.2
121.06503	17.9
121.10137	25.4
125.06027	6.6
125.09648	7.2
127.87938	5.6
129.07022	6.1
130.07747	6.6
131.08545	58.9
133.06474	6.4
133.10115	73.5
135.08090	13.9
137.09621	7.5
139.07529	18.7
143.08528	10.5
145.10109	87.9
147.11679	20.8
149.06026	6.4
149.09642	6.1
151.07639	7.5
157.10094	14.4
158.10994	6.6
159.08101	23.8
159.11711	28.6
163.07553	14.4
173.09644	19.4
173.13280	29.3
177.09152	25.3
187.14803	100.0
191.10612	13.1
205.15968	8.8
215.14307	27.8
233.11621	11.6
233.15367	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
54.98436	8.4
56.68553	7.9
56.96562	10.6
76.59594	8.4
79.05476	62.0
81.03426	22.6
82.38259	9.6
83.04881	9.3
91.05486	14.0
95.04972	18.9
95.87831	9.7
105.07024	16.4
107.04959	70.8
107.08611	14.1
111.36961	9.0
112.07406	9.7
121.06811	9.0
124.07628	8.8
147.11743	12.4
191.14252	57.8
233.15372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48559	13.5
56.96555	31.1
57.07061	62.6
67.52173	11.6
81.07043	100.0
85.06525	33.9
91.05471	31.0
93.07018	29.4
93.23177	12.6
104.75297	12.6
105.07040	34.8
131.08586	38.6
149.09648	17.1
198.92233	15.2
233.15288	18.6
239.71472	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	(-)-Curcuquinone
Peak:m/z	Relative Intensity
51.04794	10.5
56.96563	15.2
65.03906	12.4
67.05485	23.6
69.03409	21.7
69.07057	17.8
69.18563	11.1
69.40366	11.4
69.45560	11.8
79.05495	28.6
81.07058	19.7
84.56421	11.5
88.54070	10.8
91.05470	38.6
93.07025	25.7
95.04967	26.2
95.08601	22.4
105.07018	21.9
105.29230	13.0
107.04951	29.7
107.08560	12.4
109.10149	24.8
119.08558	100.0
121.10130	25.3
131.08591	14.5
133.10097	14.4
143.42661	13.3
145.10143	30.3
147.14967	13.0
159.08147	16.4
191.14337	15.8
203.29454	12.5
207.40163	15.4
233.15349	59.2
252.05136	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
51.45666	3.7
55.05506	7.2
57.07064	6.3
66.33110	3.8
67.05495	44.8
68.72618	4.5
69.07056	9.2
71.04992	5.6
73.52417	4.3
79.05483	56.8
79.15535	4.0
81.07043	49.5
83.08597	7.7
85.06528	13.4
91.05470	37.4
93.07045	64.7
95.04951	11.1
95.08597	34.3
97.06516	6.6
99.08083	7.8
105.07024	31.6
107.04990	9.1
107.08577	42.4
109.10135	10.9
111.08068	7.7
113.51836	4.4
116.06216	4.4
117.07030	13.2
119.08598	11.4
121.10150	34.1
129.13544	4.3
131.08563	30.1
133.10143	19.4
135.11690	65.4
136.76126	4.4
137.09660	5.2
145.10184	22.5
147.11713	21.0
149.13235	32.8
159.11723	21.7
173.13266	22.8
187.14836	10.5
189.16252	5.1
215.17950	77.6
233.18976	100.0
233.21181	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	17.1
57.07060	26.8
62.31030	17.8
67.05482	68.4
79.05479	61.3
81.07035	46.1
88.08344	17.9
91.05476	44.8
92.34256	17.7
93.07032	91.9
95.08601	74.5
105.07016	68.0
107.04933	24.8
107.08588	59.2
121.10156	48.1
128.24112	26.8
131.08574	42.7
133.10126	34.3
135.11696	75.8
137.68698	21.1
144.59828	19.4
145.10091	54.3
149.13222	41.4
159.11684	25.7
173.13263	29.8
187.14816	27.8
215.17941	95.6
233.18968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.00284	2.4
55.05503	13.1
55.09507	2.1
57.07048	9.0
67.05170	2.9
67.05498	33.8
69.07058	29.9
71.04974	4.7
71.48024	1.8
79.05489	12.1
81.06609	3.0
81.07048	35.5
83.08620	17.2
83.70418	2.1
85.06540	14.5
85.68260	2.6
91.05466	20.6
93.07031	26.1
95.04978	6.0
95.08595	100.0
95.61945	2.7
97.06545	4.9
103.05464	3.1
103.54276	2.6
105.07023	54.8
107.04932	3.7
107.08581	29.3
107.54992	2.4
108.09108	2.3
109.06481	2.6
109.10145	38.2
111.08075	4.1
115.05379	3.3
117.07020	18.7
119.08586	53.0
121.10130	43.7
123.08099	4.0
123.11681	4.2
123.38734	2.6
125.09618	6.6
129.06937	3.7
130.07750	3.7
131.08554	39.5
133.10121	60.4
135.11696	11.0
135.39046	2.5
139.11179	3.8
141.07002	2.7
143.08556	5.0
144.09332	5.3
145.10112	41.5
146.10832	3.0
147.11668	33.4
149.09618	3.8
149.13243	3.1
151.11212	3.2
157.10126	3.2
158.10982	3.6
159.11671	36.4
160.12489	3.5
161.13220	8.2
163.11171	7.2
165.12737	12.9
172.12474	3.9
173.13260	30.6
177.12703	8.6
187.14803	14.1
189.16357	36.3
191.14314	4.2
215.18005	19.6
226.23824	2.6
233.15378	4.4
233.18985	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
54.64117	4.7
55.05499	11.5
56.96552	7.8
57.07065	6.8
66.03424	4.5
67.05492	22.8
69.03420	9.9
69.07056	18.0
69.45599	4.8
70.06579	7.9
70.55221	5.1
71.04972	10.7
79.05483	23.1
81.03400	6.0
81.07052	21.6
83.04998	5.0
83.08609	13.4
85.02898	5.9
85.06551	15.0
91.05462	25.5
93.07053	22.4
95.04943	17.4
95.08583	27.0
105.07032	37.9
107.04958	17.4
107.08586	23.5
109.06515	7.2
109.10148	14.2
111.08082	8.0
117.07011	14.4
119.08574	100.0
121.10142	24.9
131.08586	25.5
133.06516	5.6
133.10143	23.5
137.09517	4.9
139.09654	5.9
144.09315	5.4
145.10147	33.6
145.11131	5.9
147.08020	9.9
147.11688	16.7
149.09602	6.5
157.10039	10.7
158.10915	6.8
159.11673	36.6
163.11211	8.1
173.13251	21.8
175.11171	6.1
187.14886	11.0
189.16383	6.5
191.14322	9.8
215.14450	7.3
215.17920	11.0
232.22823	8.9
233.15312	51.2
233.18953	45.5
233.22772	25.7
234.18597	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84571	4.9
59.26273	5.2
86.73904	7.0
95.93764	6.6
96.06895	7.3
234.01970	100.0
247.83232	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1851
Annotation	Deoxynupharidine
Peak:m/z	Relative Intensity
50.86151	6.2
51.33839	6.5
56.96567	8.5
80.11540	6.8
95.39574	7.3
100.41331	8.1
111.04459	13.3
121.36007	9.8
130.13594	8.1
132.08069	10.3
149.77759	7.3
155.06999	14.3
176.10846	8.8
190.15852	41.0
217.10716	18.9
218.01691	9.5
234.11427	10.3
234.18532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	15.9
57.07057	8.0
58.06575	7.9
60.04532	1.9
71.08601	7.0
71.51183	1.6
74.06075	13.2
77.90137	1.6
86.06026	2.5
88.07127	2.5
88.07623	42.6
101.88325	1.7
118.08599	3.9
122.08131	6.0
153.79967	1.9
180.09097	2.3
186.18506	56.7
217.10625	2.0
234.20612	100.0
250.34901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0924
Annotation	H-GLU-SER-OH
Peak:m/z	Relative Intensity
51.79630	4.5
55.07886	3.3
56.05028	79.2
60.04246	4.0
60.04519	59.3
62.25607	3.5
62.73190	3.3
70.06558	6.3
74.06062	9.9
83.04344	3.7
84.04015	6.1
84.04500	85.0
86.06055	14.5
86.09683	4.6
88.03976	22.7
98.06058	7.0
102.05532	100.0
106.05022	58.8
114.05588	5.9
130.05026	15.6
130.89249	5.0
132.06590	35.4
132.45097	5.3
143.08122	5.8
145.26758	5.5
160.06065	31.5
172.06076	11.6
189.08746	14.6
196.13905	5.8
217.08252	14.9
218.06691	5.1
235.09206	25.9
236.14905	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
51.79631	6.8
55.01874	12.1
55.05513	27.2
56.96564	31.2
57.07059	12.9
67.05511	27.8
69.07071	16.4
73.06560	10.9
79.05489	17.2
81.07067	19.5
82.59943	9.1
83.04995	15.4
91.05466	61.4
93.07050	24.0
95.04989	12.9
105.07027	56.7
117.07077	16.1
119.08620	30.4
121.06530	16.0
129.07062	11.9
131.08580	24.9
133.06483	19.4
133.10127	55.5
139.03967	12.3
143.08575	16.9
147.08026	20.2
147.11746	27.4
157.10167	35.3
175.11230	38.7
189.12874	15.6
199.11150	20.4
217.12259	17.2
235.04002	17.7
235.13213	100.0
235.16989	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
50.06751	23.1
51.07649	21.5
55.05499	33.3
56.96553	32.4
57.07063	60.7
60.08144	29.3
64.90281	27.8
67.05508	49.5
68.67785	28.0
79.96062	30.5
81.07041	39.7
89.96067	34.3
105.07050	65.1
133.10123	58.1
175.11148	35.1
235.13255	100.0
235.16846	70.0
246.55721	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	9.8
55.05502	5.8
56.96553	5.7
57.07064	7.2
57.42279	3.4
57.62785	3.6
63.37661	4.0
67.05479	9.2
69.07048	3.9
71.81396	3.4
73.06524	5.6
85.06535	19.1
87.04455	74.2
89.06024	100.0
91.71633	4.4
99.06469	4.3
126.09167	13.9
129.09123	19.2
130.08617	23.8
133.08565	29.2
136.40648	5.8
151.52765	4.6
163.12125	4.2
235.17110	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	CHEBI:66502
Peak:m/z	Relative Intensity
51.30755	11.9
55.11834	12.4
56.96555	27.1
57.07061	45.8
60.90229	11.5
61.53666	13.5
61.54882	13.7
63.57203	11.9
69.07037	22.3
71.40398	13.7
90.32993	14.0
91.05462	27.5
93.07055	34.9
105.07038	36.8
107.08578	29.4
119.08561	87.7
130.00151	18.1
133.10092	31.0
147.11713	18.2
161.09615	46.2
161.41487	19.5
179.10715	21.9
190.87315	18.0
217.15916	53.7
235.16942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	18.9
61.69289	12.8
67.05499	100.0
69.07064	21.5
77.15626	13.3
79.05483	27.3
79.26075	15.2
81.07050	93.7
91.05467	20.9
93.07047	25.5
95.08590	84.0
97.06572	15.1
105.07058	27.4
107.08572	21.6
109.10134	26.9
119.08579	20.6
137.13289	19.9
147.11702	17.7
217.19531	30.0
224.69928	19.4
233.48349	15.7
233.64301	14.5
235.16983	22.3
235.20607	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.92594	4.2
55.05497	12.7
56.96560	6.8
57.03413	7.2
57.07066	24.8
67.05500	86.9
68.63271	4.0
69.07061	15.6
71.08586	7.3
73.38337	4.1
75.32965	5.1
75.36637	4.8
79.05470	14.8
81.07045	100.0
83.08635	5.8
85.06533	10.9
87.94101	4.4
91.05470	29.1
91.69186	5.6
93.07053	20.6
95.04942	6.0
95.08600	71.7
105.07033	11.1
107.08617	10.6
109.10152	21.6
115.61652	4.7
119.08592	14.9
121.10150	15.5
123.11705	17.1
133.10153	16.8
135.11671	12.9
137.13248	17.0
147.11736	7.1
149.13333	6.0
161.13239	7.8
175.14882	8.0
199.33354	5.1
217.19440	33.8
235.16968	9.5
235.20535	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58286	11.7
56.96554	31.3
57.07058	37.0
67.05490	65.1
79.05466	14.1
81.07048	100.0
88.66417	14.8
91.05464	19.1
93.07029	18.8
95.08598	63.1
95.29323	15.1
95.53406	16.2
95.57316	14.2
114.92370	12.3
119.08351	11.7
125.09724	13.5
133.10114	16.5
137.06050	18.5
142.97810	13.0
143.48154	13.7
168.94095	13.8
217.19591	19.7
235.16954	35.0
235.20656	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47559	4.2
54.34100	5.3
57.26142	4.5
75.41886	5.8
80.10389	4.8
94.15400	4.9
104.94855	4.8
111.02468	5.6
133.01584	6.2
149.01122	100.0
149.02188	11.6
159.66759	6.9
162.04283	29.7
168.98419	5.9
176.05916	15.5
177.06667	10.6
185.87485	5.5
192.08971	11.6
236.07907	93.7
236.10075	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	4.9
56.37221	1.1
57.03423	10.5
58.06593	28.0
59.07163	1.0
59.07374	12.0
60.04523	1.4
60.08155	9.6
60.33498	1.1
61.37470	1.2
69.03417	1.6
70.06577	2.7
73.02890	3.2
74.06052	6.1
75.04462	3.1
78.66682	1.2
82.29005	1.6
85.02892	4.1
85.04810	1.7
86.06050	3.5
87.04434	6.1
87.04910	1.3
97.02887	3.5
98.06062	3.1
102.05466	2.2
102.22747	1.3
109.24064	1.6
115.65450	1.4
127.03894	1.5
175.37535	1.5
186.56668	1.4
200.09183	5.9
218.10287	3.2
236.14917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58218	17.9
56.90334	17.0
56.96547	31.5
59.91188	17.6
65.30494	18.6
69.07049	24.7
81.07069	22.8
85.06583	19.9
106.78439	21.2
123.53532	23.7
134.36151	22.2
140.00204	22.5
173.35493	24.8
191.13972	24.5
192.06557	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
55.01860	8.8
56.18039	2.7
56.96564	6.8
67.05499	4.6
69.07041	6.9
72.68073	3.1
79.05489	11.6
81.07037	7.1
85.02866	4.9
89.51517	3.3
91.05469	15.7
91.70990	6.8
93.07034	42.3
95.04967	5.8
95.08585	7.9
105.07018	16.9
107.04939	9.9
107.08569	34.2
109.06525	8.1
117.06988	21.4
119.08576	16.8
121.06468	20.9
121.10127	6.5
123.08071	4.6
131.08571	7.8
133.10112	8.4
135.08037	36.2
135.11691	5.7
139.07553	8.7
139.62715	4.0
145.06505	8.1
149.09622	10.1
149.13168	4.4
159.11697	22.2
161.09628	6.0
163.07549	14.9
169.08644	4.1
173.98488	3.8
177.09140	6.4
177.12767	13.0
179.10658	7.7
181.08517	19.8
183.11658	11.6
192.06599	20.9
195.10103	6.3
196.00432	5.0
197.00075	4.6
201.12772	13.0
219.13811	22.0
237.12442	7.0
237.14804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.13717	2.2
56.96539	5.2
57.07047	3.9
59.04971	3.2
67.05489	5.6
67.75013	3.0
69.07050	3.2
69.97780	2.4
71.04967	4.2
79.05463	3.0
81.07030	7.4
83.04954	5.6
85.02866	11.4
91.05434	5.6
91.71040	2.8
93.07020	12.4
95.04958	9.6
95.08583	4.2
97.06464	3.0
99.04403	5.6
99.59777	2.8
105.07018	4.9
107.08565	7.0
109.06503	16.5
111.08123	5.1
117.07011	3.4
119.08539	2.9
121.06468	10.0
121.10171	6.4
131.08556	7.4
133.10088	5.1
135.08043	12.0
135.11681	3.2
137.05952	16.2
139.07527	5.8
144.09328	6.0
151.07498	4.9
155.97337	3.1
158.19312	3.1
159.11694	25.5
163.07533	11.9
171.76233	2.9
177.12741	9.5
181.08557	16.9
184.84349	3.2
192.06572	11.6
197.00098	3.9
213.04935	3.1
219.13773	8.6
231.15175	3.3
235.20155	3.1
237.12428	6.2
237.14821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52922	11.7
55.05527	17.7
57.07074	17.0
67.05486	15.0
67.36040	15.3
70.46452	12.0
71.66745	14.2
75.02159	13.2
76.05202	12.7
76.88002	16.8
81.07056	16.1
82.56293	13.9
91.05501	33.7
117.06995	19.9
121.10178	22.0
142.04916	16.1
147.06850	23.4
147.51340	15.4
148.07703	19.2
153.01091	16.5
192.06610	100.0
240.52925	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46292	1.9
53.05864	2.0
53.71172	2.2
55.05498	4.8
56.02144	2.3
56.05015	3.8
56.96546	3.1
57.07067	14.1
69.03407	4.5
69.07058	5.1
70.06589	6.2
72.08148	18.2
72.08469	2.9
82.06573	2.5
84.04470	4.2
84.08131	20.6
86.09693	6.3
93.24461	2.5
95.06083	3.2
98.09681	3.1
99.09196	8.2
120.08104	4.4
124.11238	6.7
130.06517	3.1
137.68411	3.1
140.14340	100.0
146.05914	2.9
148.07520	4.5
154.12421	2.9
190.12851	3.0
192.06538	14.1
193.06847	8.0
238.11801	9.2
238.19092	5.7
238.22739	86.5
239.08934	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85887	3.6
56.68512	4.1
56.96548	4.8
57.07066	16.6
58.18537	4.3
67.05485	10.1
69.07088	5.7
81.07023	7.8
83.04967	20.8
85.02893	91.8
91.05453	5.1
93.07028	9.4
95.08604	25.8
97.06542	24.7
107.08585	20.2
109.06492	11.8
109.10147	18.7
111.04436	6.9
113.09661	8.0
118.64227	5.3
121.06491	13.4
125.09620	48.8
133.10123	6.5
135.08025	7.1
137.09619	30.9
139.07535	12.6
153.09109	6.1
155.10683	7.6
161.09637	9.8
163.07523	11.9
179.10637	16.2
197.11716	15.6
198.18549	17.8
221.11801	22.1
235.84901	4.9
239.08887	100.0
239.12527	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.3
56.96564	55.8
57.07069	11.5
62.02940	4.2
62.87254	4.3
65.78505	3.9
66.73050	4.8
67.05482	11.0
67.30400	3.8
69.07067	10.4
72.08311	5.9
79.05463	6.0
80.94835	4.5
81.07021	11.3
83.08640	5.2
91.05492	18.2
91.71137	8.0
93.07040	10.8
95.08616	16.8
105.07030	22.1
107.08605	9.7
109.10135	6.0
119.08582	38.2
120.12171	5.5
131.08615	6.1
132.21620	6.1
133.10158	15.3
141.88866	5.9
145.10107	13.7
155.08583	14.2
156.09341	7.2
157.10159	23.4
159.11752	10.6
162.08176	6.8
164.18925	5.9
167.08493	7.0
168.09460	6.9
169.10089	29.2
171.11752	8.1
181.10184	9.3
182.11003	8.2
183.11684	46.8
195.11757	7.9
197.13217	41.4
198.10468	6.7
198.18495	43.0
209.13281	11.0
224.15587	7.4
239.03616	7.4
239.08934	37.8
239.17929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	5.2
54.82384	3.1
55.05507	19.6
56.96573	4.8
57.06802	6.3
57.07068	100.0
67.05499	42.3
68.11672	3.5
69.07063	22.3
71.04996	3.8
71.08253	5.5
71.08621	67.4
71.25242	3.6
75.20819	4.1
76.76038	4.0
79.05473	7.6
81.07053	41.5
83.08614	19.7
85.10164	27.9
89.05998	3.7
95.08595	56.7
97.10164	6.7
101.20310	3.6
109.10152	16.6
123.11732	7.1
132.51605	4.3
165.16183	4.7
198.18541	42.5
199.00131	7.7
202.67061	4.3
213.50610	4.4
239.08914	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30745	3.0
53.00292	6.6
55.05499	13.0
57.06804	6.0
57.07070	100.0
62.24475	3.4
67.05495	33.5
69.07061	12.5
69.73009	3.4
71.08617	55.9
78.53508	3.6
78.81712	3.2
81.07050	30.8
83.08606	20.3
85.10155	24.2
95.08604	49.7
97.10165	11.1
100.94061	3.4
109.10163	14.9
120.43808	3.7
176.05151	3.7
197.00093	4.9
198.00302	9.2
198.18517	37.8
239.08934	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59084	0.4
53.84104	0.5
56.96545	0.8
60.87570	0.4
63.70648	0.5
65.03933	2.0
72.04488	1.6
84.51898	0.6
85.95548	0.5
88.54730	0.5
89.39221	0.5
91.05468	100.0
98.97544	1.0
106.06550	2.5
109.77244	0.5
116.98623	1.5
120.08073	6.7
120.08834	0.6
129.94827	0.6
132.08087	1.0
134.92671	0.7
134.99646	0.7
140.00237	0.8
158.01282	1.7
161.35446	0.6
165.07010	0.9
166.07756	1.6
179.62973	0.7
181.02849	1.4
181.10088	5.8
199.03912	0.7
240.13794	13.8
240.16069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1495
Annotation	3'-Methyl-4-dimethylaminoazobenzene
Peak:m/z	Relative Intensity
56.96565	26.1
62.17296	11.5
70.06575	20.2
70.81314	12.8
71.91385	12.6
72.08147	75.7
91.71564	22.1
98.97575	29.7
116.98619	41.8
140.00189	29.4
150.94043	13.8
158.01283	39.2
171.09196	23.3
181.02837	61.0
199.00304	17.4
214.79602	15.0
240.08736	18.1
240.14893	100.0
240.53951	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.75738	0.7
51.42454	0.7
54.41103	0.8
57.07022	0.8
58.06320	1.7
58.06591	27.5
58.71162	0.8
60.71422	0.8
70.06560	3.9
72.08136	4.2
75.47517	0.9
84.08132	12.2
89.29083	0.8
90.07166	0.9
91.86029	0.9
98.97556	1.6
110.07172	1.3
116.98557	1.0
124.61661	0.9
128.10718	4.0
138.09087	1.0
144.10229	1.4
156.07605	1.1
158.01112	1.4
176.45747	1.0
196.09668	6.1
198.24643	1.2
241.15442	100.0
242.15614	1.6
259.95337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91493	4.8
56.91405	4.7
58.06601	15.6
60.08155	86.8
61.01150	8.2
69.07072	17.9
72.90553	6.0
78.03797	15.0
83.05052	5.7
84.08116	5.6
86.09721	16.2
91.71008	11.6
95.04964	13.2
98.97617	15.9
116.98647	12.9
123.04411	53.9
129.75552	6.1
140.00217	11.2
158.01321	8.3
165.05537	27.7
181.02873	8.5
197.05745	6.4
241.22736	100.0
245.11101	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	5.4
56.57859	5.5
56.96551	10.5
58.06587	9.7
60.08156	92.6
61.01148	14.6
67.04556	5.0
69.07049	18.3
74.20276	5.4
78.03779	17.2
84.08130	10.1
86.09697	20.1
95.04924	10.5
96.48695	5.2
98.97594	27.9
116.98606	18.0
119.05027	7.5
123.04429	82.7
131.72749	6.6
134.99646	11.2
140.00224	20.3
145.91881	5.5
147.04442	7.7
158.01215	14.2
165.05502	24.9
181.02847	14.3
200.02379	9.4
213.62454	7.5
232.94223	6.8
241.22714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1539
Annotation	Acutine
Peak:m/z	Relative Intensity
51.77504	0.6
52.72618	0.6
53.94213	0.6
65.03929	2.2
73.89644	0.6
74.06067	1.4
91.05470	100.0
96.84220	0.7
111.72121	0.7
112.02174	0.7
119.77708	0.7
134.09677	1.4
136.72026	0.7
150.09128	4.8
166.07809	1.5
181.10062	4.8
242.15364	24.2
257.16492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	9.5
68.05008	23.4
68.41911	8.4
73.87025	9.7
81.03410	88.8
96.04489	100.0
97.02870	10.5
98.06024	11.7
100.02486	14.7
140.07062	14.2
166.05022	32.4
202.99699	21.4
244.02492	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1654
Annotation	Pro-Lys
Peak:m/z	Relative Intensity
51.12473	0.7
70.06586	6.8
72.08144	100.0
80.12493	0.8
84.04533	0.9
84.08156	1.1
102.05551	2.7
110.09660	7.6
118.37247	0.9
119.01904	1.7
127.12357	1.2
127.32734	0.9
129.27765	0.8
130.04997	1.9
140.07146	1.4
142.03468	1.2
158.08105	8.8
163.06633	0.9
173.09274	1.1
175.10773	2.8
184.63852	0.9
185.12949	1.1
223.86765	1.0
227.13940	3.9
244.16534	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56182	5.2
55.05261	6.0
55.05503	80.0
57.03425	26.9
58.50446	4.8
67.05494	19.6
69.03409	18.9
69.07060	14.8
69.73395	6.3
73.34886	5.7
75.35155	6.3
79.05460	12.0
81.07039	23.5
83.08618	53.6
91.71102	6.4
93.07033	7.3
97.09578	11.1
97.10160	100.0
107.08587	30.3
125.09625	73.3
135.08098	6.5
143.10626	8.6
164.69553	6.6
171.10135	15.6
189.11166	64.0
245.13847	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1536
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
51.65422	10.8
53.98674	8.3
54.16833	8.8
54.25879	7.7
55.05507	21.9
55.75014	10.1
56.96557	54.5
57.07061	10.6
58.03149	7.8
67.05499	21.2
68.99768	10.6
69.07050	45.2
70.68948	8.8
79.05482	39.2
81.07062	30.8
91.05469	67.4
93.07040	50.4
95.04924	17.8
95.08594	43.1
105.07022	75.3
107.08604	29.8
113.03519	16.5
117.07035	28.4
118.65475	10.6
119.08583	56.2
121.10126	28.9
128.06244	16.0
129.07022	26.7
131.08568	91.2
133.10153	42.3
142.07761	28.2
143.08562	57.9
145.10127	76.0
146.10941	27.8
147.08061	11.9
147.11636	14.1
153.01865	23.8
156.09364	25.3
157.10135	100.0
159.11736	33.6
161.09650	16.6
161.20294	13.2
170.10959	24.5
171.11653	49.1
173.13298	21.0
184.12564	12.5
185.09668	14.6
185.13300	38.5
189.09152	31.8
199.14870	52.7
203.10730	22.9
224.54613	13.1
227.14397	20.5
245.15361	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	Ile Ile
Peak:m/z	Relative Intensity
56.96558	1.1
68.88358	0.8
82.42021	0.7
86.09693	100.0
113.03452	0.8
115.04002	0.8
132.10184	2.1
172.97766	1.6
181.20258	0.8
245.14920	1.1
245.18645	4.5
254.29568	0.8
265.48032	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19406	2.0
55.05505	23.3
56.96564	17.0
57.03427	3.3
57.07057	4.3
63.66881	1.7
69.03404	5.9
69.07054	3.9
70.68628	1.9
71.04993	2.4
71.48502	2.0
72.08147	100.0
73.02908	3.5
83.08617	7.0
83.21995	2.0
84.96011	3.0
85.02894	2.7
86.09695	50.0
97.10148	16.7
98.10500	2.6
98.97562	14.7
107.08566	3.1
113.03513	3.8
116.98627	7.4
118.66933	2.4
125.09624	6.7
131.00195	2.8
134.99730	2.9
140.00204	8.8
143.10663	6.0
146.11755	29.9
158.01259	3.3
172.97617	2.8
173.01279	2.7
177.00645	2.3
181.02795	4.4
200.02344	6.8
214.03879	3.1
240.09160	3.3
245.18604	5.9
249.12111	2.7
258.03177	2.4
263.52182	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
56.96552	0.6
69.07063	13.4
84.04542	0.9
86.09699	100.0
91.71053	1.3
100.26585	0.7
103.82075	0.7
131.32042	0.8
158.73813	0.8
165.56969	0.8
245.18562	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.08691	0.5
51.49448	0.6
51.67000	0.5
51.77557	0.6
53.66394	0.5
56.96562	0.7
62.03820	0.5
67.05486	0.9
69.07063	11.0
70.06583	0.8
72.95787	0.6
74.05050	0.7
84.04509	1.1
86.09697	100.0
113.96452	0.9
114.50451	0.7
132.10162	1.2
142.03194	0.7
164.25232	0.8
199.18025	0.9
245.18604	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71811	35.6
56.96560	100.0
69.61660	40.7
75.50031	40.2
75.57177	43.3
75.57639	43.1
90.50199	46.2
115.07605	44.9
198.26433	44.9
218.70404	47.7
229.61446	42.8
246.17734	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92826	1.2
51.75727	1.2
52.73636	1.2
56.75721	1.1
57.07065	9.3
57.99160	1.4
58.48267	1.3
70.06237	1.7
70.06580	18.8
73.21442	1.3
76.81128	1.3
83.27194	1.4
85.01360	1.4
85.10127	2.4
88.07617	25.5
93.67065	1.2
102.09151	6.0
106.08665	14.1
228.23105	8.1
238.38124	1.7
246.24257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0576
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.12941	0.6
51.32023	0.5
55.05493	1.3
55.88281	0.5
56.05032	0.7
57.03423	2.8
57.30416	0.5
57.46659	0.6
60.05629	2.1
60.08145	0.7
61.68670	0.5
63.49607	0.5
69.03414	1.1
70.06580	10.6
71.04977	1.0
72.08154	5.5
74.02412	0.7
75.04469	3.4
81.05820	0.6
84.04491	1.4
84.08125	1.1
85.02892	1.3
86.09699	7.3
90.05573	0.8
92.17800	0.6
98.06037	1.1
98.98462	100.0
114.05439	0.7
115.08700	1.7
116.07091	2.8
116.99487	1.3
118.08580	0.6
130.09760	0.9
140.01086	6.7
142.08669	1.3
155.01059	0.9
158.09171	1.1
173.02104	23.0
175.11919	2.4
187.10805	1.2
188.09186	3.0
190.04765	0.7
235.72943	0.8
247.04097	2.0
247.06056	1.9
247.14067	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0964
Annotation	Torachrysone
Peak:m/z	Relative Intensity
63.84691	17.7
73.21318	16.5
81.03428	22.3
91.05475	35.2
91.71834	22.2
113.31334	20.0
114.32210	19.5
121.06555	29.2
122.72152	19.2
128.06282	23.1
129.07011	32.4
138.97267	26.8
147.04570	24.4
148.90610	21.1
157.06546	36.1
158.07263	38.7
159.08041	39.6
175.07498	55.8
185.06003	41.2
188.54823	22.3
203.07114	23.8
221.32336	19.8
229.08585	100.0
247.09622	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45519	3.6
55.05505	4.0
56.05024	12.7
56.53234	3.2
56.96531	4.2
58.90769	3.1
60.17876	3.2
66.94538	4.5
68.65837	3.8
70.06574	4.5
70.33235	3.3
72.08147	6.4
73.34329	3.7
74.06080	25.5
75.70928	4.2
82.14037	3.7
84.04492	5.2
84.12472	3.9
86.09694	100.0
93.92818	4.6
95.57653	3.4
113.45494	3.5
116.07079	20.3
127.03902	4.2
134.08115	56.2
144.06616	6.4
229.15454	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
51.53347	15.2
51.99308	20.9
55.05499	23.6
56.96545	42.1
57.07061	25.4
58.38748	15.0
67.05486	22.0
69.07058	36.9
72.46024	18.5
81.07034	43.6
83.08590	21.1
85.59019	24.3
87.99017	16.7
91.05447	47.2
92.37521	19.8
93.07020	39.2
95.08587	53.2
97.06499	18.9
101.09696	17.1
105.07013	31.7
107.08577	46.5
109.10158	31.4
117.07016	22.6
119.08566	55.1
121.10095	20.4
123.08090	24.8
131.08568	50.0
133.10117	50.8
145.10150	67.3
159.11771	36.3
173.13196	23.3
176.10237	21.7
177.08990	23.9
187.14835	71.4
209.86952	19.6
224.02242	28.6
247.03786	38.3
247.16954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.46406	9.6
55.05521	23.1
57.64981	11.2
66.98445	13.3
67.05505	28.6
69.07083	19.4
76.92052	11.0
78.11633	10.9
79.05486	12.6
81.07092	22.0
83.08630	25.7
91.05489	28.2
93.07054	57.9
95.08630	39.6
97.06506	15.3
105.07078	38.5
107.08575	66.8
109.10198	20.5
117.07042	19.0
119.08647	49.1
131.08609	51.9
133.10161	42.5
135.08026	17.4
145.10129	82.9
147.11691	16.1
159.11778	42.5
173.13303	15.4
177.09225	19.1
185.13304	26.1
187.14784	100.0
191.10703	20.0
247.16884	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
55.05492	6.2
56.96550	4.8
57.03433	13.2
57.07058	4.1
58.99569	6.1
61.01135	6.3
62.99060	3.5
67.05495	35.4
68.18064	1.1
69.07057	4.8
71.04976	1.9
71.08616	8.1
75.39312	1.2
75.70676	1.3
76.02222	16.8
77.00611	5.2
81.07052	4.6
83.08620	4.3
86.99037	3.0
89.00607	19.6
97.10160	6.1
99.08105	3.5
105.00086	6.1
107.08604	3.8
109.10155	20.6
120.99726	1.4
122.02721	62.4
125.54646	1.5
127.11185	45.2
152.25262	1.5
152.43607	1.5
159.08380	100.0
184.02788	2.1
204.80432	1.5
207.04442	3.1
248.13197	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.1
55.01873	8.6
57.03436	10.0
66.27734	4.2
66.48889	4.1
69.03420	92.1
69.76427	4.6
71.05010	8.5
73.02908	5.8
81.03416	52.7
81.03828	5.5
85.02895	100.0
85.03357	7.8
87.00827	36.8
95.99776	4.3
96.40696	3.8
97.02882	48.1
99.04433	24.5
103.25391	3.8
105.01848	26.7
109.02878	30.2
127.03916	56.4
145.04956	6.1
159.02972	4.9
180.88867	4.6
202.55904	4.3
203.18182	4.3
233.15141	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77354	21.6
56.96544	100.0
57.87281	26.4
61.87312	23.1
70.71255	27.4
76.31882	24.6
78.15891	26.7
81.44453	24.3
82.31673	24.4
109.95477	25.5
111.85023	27.3
128.12041	27.2
160.07027	30.5
181.69501	37.8
198.36812	31.9
247.45934	30.7
249.87729	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1097
Annotation	Thr Glu
Peak:m/z	Relative Intensity
51.27653	3.8
55.01897	4.8
55.84557	4.3
56.96560	7.1
57.74526	4.0
69.03420	5.7
69.07066	9.5
88.16097	5.6
100.53778	4.5
117.86327	6.2
127.85087	5.1
142.00957	4.8
163.02693	6.6
215.24571	5.3
248.46684	5.6
249.10948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.18
Annotation	Nupharidine
Peak:m/z	Relative Intensity
53.04798	4.3
56.97125	4.5
57.07060	39.4
57.50666	4.9
57.98085	4.5
64.16571	4.9
73.73995	4.6
75.01231	4.7
83.63742	5.5
87.35248	4.8
88.07671	7.6
88.14452	6.1
88.63830	5.5
91.59624	4.6
98.98459	18.3
105.41316	5.1
107.04942	74.1
163.11163	17.1
194.11734	100.0
210.66522	6.5
250.17932	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0693
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
56.05018	4.4
58.99566	4.8
76.02212	14.7
80.05020	1.4
84.04493	100.0
86.99015	3.4
98.98476	5.9
102.05539	3.3
105.00071	2.8
113.86543	1.4
118.69698	1.7
122.02721	45.3
130.04987	26.5
136.47345	1.8
142.03197	7.5
188.03754	8.7
234.04399	4.5
251.06854	11.9
269.46225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0696
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
51.31201	1.6
56.05022	7.8
58.99574	6.9
59.49265	1.7
67.61849	1.8
67.64321	1.8
68.97262	1.9
70.06571	7.9
70.72848	2.0
71.04932	1.8
72.08152	3.8
73.02884	2.4
76.02223	16.1
80.30479	1.7
82.44590	1.7
84.04498	100.0
84.05007	5.1
86.99038	5.5
88.03970	2.0
98.98463	10.0
100.02219	3.1
102.05550	3.9
104.05354	2.4
105.00089	4.9
122.02724	47.0
130.04994	23.2
136.06195	3.0
142.03229	6.4
178.57802	2.1
188.03822	6.7
196.29665	2.3
234.04254	5.9
251.06860	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03695	9.8
56.96553	34.7
86.73073	13.0
91.99679	14.2
98.12711	13.8
98.98452	100.0
99.28687	13.7
117.38633	11.6
117.90649	13.7
119.08614	12.5
133.74498	16.9
167.25932	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62994	1.4
56.05020	2.2
56.96546	3.3
61.01972	1.5
69.07063	3.3
84.04498	37.4
86.09694	13.7
98.98460	14.0
103.05538	1.8
105.07024	100.0
119.40118	1.6
120.08126	1.7
121.06543	6.1
122.09653	32.1
130.05000	4.5
130.06512	13.1
138.09140	2.4
140.02534	1.7
146.09651	5.6
205.13420	4.8
205.98724	1.9
234.11264	18.0
246.24878	2.0
251.13925	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.143
Annotation	(S)-5-Deoxyindenestrol
Peak:m/z	Relative Intensity
51.08663	1.3
52.93206	1.4
56.96546	2.2
61.96722	1.7
63.56013	1.6
67.93930	1.7
69.32833	1.5
74.95814	1.6
91.05477	21.5
98.98437	12.2
103.05465	8.1
105.07024	100.0
117.06998	6.9
129.07001	8.6
131.04927	31.0
131.08572	8.3
145.06473	17.0
145.10138	6.3
146.07246	35.5
155.08521	3.0
155.32178	1.7
173.09581	1.8
191.08449	2.0
205.10175	3.3
233.13277	10.6
251.14278	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1431
Annotation	(S)-4'-Deoxyindenestrol
Peak:m/z	Relative Intensity
50.88896	2.7
51.74263	2.5
54.00329	2.6
55.34073	2.7
66.57665	3.0
78.31346	3.4
79.05483	4.5
91.05460	28.8
91.71706	5.1
95.05019	4.2
98.98466	15.3
105.07021	100.0
108.64985	3.4
117.07028	8.2
129.06979	10.0
131.04921	22.1
131.08551	6.6
145.06497	13.2
145.10089	6.9
146.07236	32.1
171.25536	3.6
173.09650	4.1
205.10138	7.1
233.13193	11.3
243.15988	4.7
251.14288	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1638
Annotation	Alpinenone
Peak:m/z	Relative Intensity
51.65495	21.9
55.56412	20.6
57.03423	46.3
67.05486	82.9
79.05482	45.8
81.07044	81.9
91.05447	62.2
93.07044	100.0
98.98441	57.1
114.10940	27.3
129.05447	37.8
131.08513	41.0
149.13243	25.5
159.11658	34.7
215.87465	31.1
239.07060	28.0
251.16400	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Coprinolone
Peak:m/z	Relative Intensity
57.03423	18.9
58.16341	12.0
67.05488	36.8
75.91946	12.5
79.05482	41.6
81.07047	56.8
91.05470	22.2
93.07037	100.0
95.08576	29.2
95.38506	16.1
98.98473	34.4
107.08621	18.6
128.17360	14.5
129.05467	31.4
131.08549	19.0
159.11673	23.4
174.40836	18.3
251.16440	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26962	11.0
56.96553	14.4
59.95285	10.3
61.10999	12.0
63.36998	11.5
69.03411	11.9
71.04973	22.8
72.25929	11.1
93.06992	12.8
95.04962	12.3
95.08600	16.1
98.98458	100.0
105.07048	18.7
121.10147	20.0
137.09566	14.0
140.01138	15.5
147.08058	27.2
149.11356	12.8
163.11145	15.3
189.11140	12.5
219.79462	12.9
225.94537	17.6
233.15309	15.0
272.59436	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Sch 725434
Peak:m/z	Relative Intensity
54.28873	11.2
56.96547	21.5
57.07068	100.0
61.66405	12.1
68.43249	11.3
74.12961	11.0
74.61373	12.8
79.52017	13.3
83.06123	13.1
98.98437	77.1
139.34636	14.4
172.29265	14.8
195.10146	42.7
227.97549	17.6
251.16322	81.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
55.05501	12.7
58.33209	4.1
67.05131	5.4
67.05494	95.7
67.88028	4.8
69.07060	8.1
72.42998	4.8
75.04766	4.6
78.02370	4.1
79.05489	15.4
81.07043	100.0
91.05459	6.7
93.07011	23.7
95.08599	70.9
98.98468	29.0
107.08602	16.9
109.10141	40.7
119.08513	4.7
121.10138	16.9
123.11700	24.0
131.08589	7.2
135.11685	14.5
153.72935	4.8
159.11642	6.7
175.44366	4.6
184.16365	4.9
203.04785	5.1
215.17967	9.6
224.34666	5.4
233.19048	7.2
249.86179	4.8
251.20007	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0866
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
51.02394	0.7
52.29549	0.8
52.90174	0.7
53.03936	1.4
56.96560	1.4
63.23983	0.9
64.29559	0.9
64.63997	0.9
74.33672	1.0
77.03892	1.0
80.49011	0.9
84.04498	13.0
95.04963	10.6
102.05547	3.0
105.03387	100.0
118.06546	2.8
130.04977	7.2
171.50467	1.1
252.08806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1383
Annotation	rheadan
Peak:m/z	Relative Intensity
51.33401	0.9
56.96543	3.7
64.76102	1.1
65.03918	1.7
65.80138	1.1
84.04495	1.2
89.41251	0.9
91.05472	100.0
98.98471	3.5
104.04978	2.1
113.66048	1.0
130.76144	1.0
132.08015	1.4
144.08028	1.4
160.07603	4.1
181.10071	2.2
189.38293	1.2
225.23691	1.1
252.08519	1.6
252.13828	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
55.01864	14.3
55.05508	10.8
67.05507	21.6
69.89622	7.7
71.04982	8.0
79.05486	21.3
81.07043	13.2
89.60371	6.9
91.05461	43.5
93.07028	24.1
94.06583	7.2
98.98467	30.0
105.07028	61.4
107.04979	8.2
107.08553	9.8
109.06506	8.4
115.05428	11.4
117.07030	11.1
118.43088	7.5
119.08607	32.9
121.06498	17.5
129.07004	13.7
133.06540	18.0
133.10109	43.9
135.08105	22.5
136.38336	9.1
142.07799	13.5
145.10123	10.3
147.08034	15.5
147.11667	38.1
151.07574	9.5
157.10098	46.1
161.09665	10.4
171.11691	21.6
175.11140	43.7
189.12775	16.4
199.11246	13.0
207.13768	13.6
217.12256	18.1
223.13318	15.9
235.13232	100.0
253.14316	81.4
262.38809	9.5
264.65704	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1434
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
55.01860	12.6
55.05491	9.9
56.96547	12.8
67.05488	27.2
67.58295	9.6
68.20207	9.0
79.05492	27.4
81.07022	15.7
91.05477	30.7
91.71755	12.2
93.07056	28.4
95.08608	15.6
98.98473	63.3
105.07013	62.9
117.07012	14.0
119.08599	36.1
121.06538	22.4
131.08557	22.3
133.06522	15.9
133.10121	37.9
135.08008	22.1
147.08054	16.8
147.11687	45.9
157.10126	37.8
165.09138	14.0
171.11722	20.2
173.09610	11.7
175.11220	61.4
189.12743	26.5
207.13609	18.2
216.30463	13.1
217.12096	24.3
223.13222	20.0
235.13263	100.0
253.14288	77.5
261.62378	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.216
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
55.05511	47.0
56.93599	11.1
57.07067	25.7
67.05495	65.7
69.07053	100.0
79.05502	15.1
81.07036	71.9
83.08629	30.9
91.05475	19.2
91.70950	24.6
93.07041	22.5
95.08630	53.1
97.10181	25.0
98.98491	59.6
105.07054	21.3
107.08606	15.6
109.10175	34.9
118.52966	11.0
119.08606	21.8
121.10150	13.7
133.10170	38.3
135.11682	15.3
136.20056	14.0
137.30853	14.0
147.11694	15.5
161.13293	18.2
187.22981	14.1
193.19662	19.0
217.19650	42.4
234.20320	14.2
235.20576	28.3
252.38295	16.3
274.28506	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	13.2
57.07062	3.9
59.19513	3.2
60.08158	10.6
69.07040	3.4
70.06583	5.4
78.01501	3.8
80.04996	29.8
81.03409	38.9
81.07059	3.4
83.04961	6.9
84.04497	76.0
84.08648	3.3
85.02908	7.5
85.17361	3.3
97.02910	4.3
98.98467	3.9
105.72565	3.4
107.04961	3.8
108.04476	61.4
109.02903	4.1
112.07620	3.4
120.08195	5.3
121.06352	3.1
126.05512	100.0
126.59813	3.3
127.03918	6.3
130.05013	10.4
164.07057	13.8
192.06537	7.8
227.21262	18.5
238.07181	12.5
248.29146	3.2
255.10092	5.9
255.13391	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51746	14.1
55.05502	29.8
69.07048	28.3
69.24839	15.9
71.73660	14.9
76.29184	20.7
81.03396	18.6
81.07033	51.0
83.04967	30.6
93.07047	25.9
95.04962	25.2
97.06515	25.3
98.98411	18.4
104.53998	16.1
107.08578	60.4
109.06487	33.3
121.10128	19.0
124.59193	16.2
125.09618	100.0
142.23982	18.6
153.09097	51.3
169.57776	23.3
175.78581	18.9
176.95674	19.7
177.09061	24.2
213.11264	65.4
214.98505	23.1
255.12445	20.1
260.15726	20.2
274.34549	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1744
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
56.96540	3.4
57.07066	10.7
65.90369	3.0
67.05492	8.8
69.07053	11.0
79.05496	9.0
81.07047	23.6
83.04999	3.4
83.08588	3.9
85.06532	16.3
91.05470	17.0
93.07018	7.3
95.04955	34.5
99.08090	4.8
105.07034	25.3
107.08582	5.0
109.06507	98.9
111.04429	5.8
119.08565	16.7
123.08076	8.3
131.08572	19.3
133.10117	6.3
135.08107	4.8
139.23843	3.4
141.06908	4.2
142.07817	8.3
143.08582	15.0
145.10132	8.1
147.11661	4.5
153.05447	4.6
153.07047	4.5
155.08575	9.5
156.09352	18.1
157.10135	31.2
158.10986	4.5
165.07007	7.3
167.08507	8.6
168.09390	5.9
169.10112	21.4
170.10835	7.2
171.11662	30.0
173.13223	19.9
180.09323	11.5
181.10118	8.7
182.10886	20.8
183.11693	8.4
195.11655	32.5
196.12535	8.6
197.09653	9.7
197.13234	33.3
197.50635	3.4
199.11171	41.7
207.11713	15.6
209.11768	13.3
211.14856	14.6
212.12024	4.9
213.12801	14.1
213.16319	27.1
222.14148	6.3
225.12740	9.0
237.11197	7.9
237.16351	11.5
237.18715	4.0
255.17415	100.0
260.22379	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1743
Annotation	4-(1-Ethyl-2-phenylbutyl)phenol
Peak:m/z	Relative Intensity
57.31871	5.8
57.39261	6.3
57.88097	5.4
58.82576	7.3
68.34706	6.0
69.07052	10.2
71.05014	7.9
75.49197	5.9
79.05458	8.5
81.07037	8.2
84.91561	6.6
91.05484	13.3
93.07021	50.4
95.88380	6.9
105.07018	13.9
107.08566	18.1
109.06507	20.0
117.07021	10.9
119.08598	19.7
133.10152	7.9
135.08061	28.4
143.08568	17.3
155.08458	12.9
156.09355	23.7
157.10156	26.4
167.08597	16.5
169.10156	25.3
170.10909	17.4
171.11671	20.5
181.10098	16.4
182.10919	27.7
183.11674	14.7
185.13293	12.1
195.11702	13.0
196.12285	7.8
197.13242	100.0
197.14862	9.5
199.11319	8.0
207.11748	12.3
211.14787	34.8
213.16382	62.0
222.14307	10.1
237.16458	9.7
255.17389	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54137	12.7
51.26929	10.0
51.45251	10.3
56.96557	23.0
57.06057	9.9
69.07052	19.5
70.06669	13.5
76.32056	14.1
81.07042	19.8
81.90588	11.4
90.82445	11.5
97.06503	30.4
105.07036	38.9
117.85973	13.0
119.08580	22.2
121.10102	18.5
127.07018	13.9
131.08597	16.6
135.08012	16.2
143.08586	41.2
150.78589	15.6
152.21515	13.7
157.10144	32.2
171.11697	16.8
196.12473	20.4
197.13286	55.1
198.68890	15.3
199.11201	29.1
211.14816	55.0
214.98744	20.2
255.17398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17230	4.3
52.50581	3.8
56.96548	12.2
58.06596	6.8
60.08155	57.1
80.04991	10.6
81.03393	12.7
83.04976	16.2
84.04493	31.7
85.02902	6.3
86.09717	5.6
97.02882	6.1
100.70457	4.5
104.09874	5.5
105.14688	5.4
108.04469	21.2
112.07601	10.5
126.05492	36.0
136.28278	6.0
136.93472	5.3
158.99771	5.3
172.97459	5.5
173.44035	6.0
175.05934	5.5
227.21162	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0815
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
55.01869	3.2
57.03432	5.2
57.73178	0.5
61.02921	0.5
61.51043	0.4
63.60659	0.4
67.18276	0.6
69.03419	3.6
71.01343	1.0
73.02908	2.7
80.04995	2.5
83.06091	1.3
85.02903	2.9
85.11880	0.5
86.06052	0.5
87.04456	0.7
88.57957	0.5
91.41046	0.5
96.04482	1.8
97.02861	1.3
113.70101	0.5
114.05504	2.0
115.03902	2.0
119.14417	0.6
124.03944	100.0
127.05048	1.2
130.76500	0.6
133.04977	3.6
135.15829	0.5
144.96397	0.7
155.08150	5.5
187.46201	0.6
256.12933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35233	0.7
55.01850	2.7
56.05029	5.0
56.45862	0.6
56.96548	0.7
57.03432	6.1
57.84195	0.7
58.67652	0.8
59.04979	1.2
60.35503	0.7
61.02886	0.8
68.05019	1.1
69.03414	4.6
69.04525	1.4
71.01333	2.9
73.02901	2.6
76.06635	0.8
80.05020	2.7
81.04527	4.0
83.05635	1.5
83.06094	16.8
84.04511	0.8
85.02887	3.7
86.06059	9.4
87.04461	2.2
96.04473	2.5
97.02884	1.6
97.07640	7.7
99.09217	2.3
101.02372	2.2
109.03990	2.6
109.07632	3.9
111.09217	1.4
114.05517	27.6
115.03909	4.0
124.03942	100.0
127.05038	14.6
127.08678	6.9
129.01889	2.2
130.31119	0.9
133.04979	3.5
143.03342	1.3
155.08144	70.0
157.01335	1.8
161.04509	2.6
171.02798	1.0
189.03963	3.8
203.05518	2.8
223.65936	0.9
248.12265	1.3
249.12590	1.2
256.08481	1.0
256.12915	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46598	6.3
54.56609	6.4
57.07068	11.4
58.06578	7.8
60.50960	5.9
63.66443	5.8
65.92939	6.2
70.06580	23.6
70.93920	6.2
74.87196	6.1
76.83694	6.0
88.07633	21.0
91.71647	7.8
92.04713	7.5
102.09176	29.4
109.23679	6.8
110.25935	6.9
111.87276	6.3
132.95827	9.2
150.96938	9.0
155.97385	11.6
173.98442	11.3
191.97171	8.3
197.00137	14.2
214.98828	18.5
240.97144	7.3
256.11954	10.1
256.26334	100.0
264.16266	8.8
277.87396	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2997
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
57.07047	5.2
57.31619	0.9
58.06582	1.9
59.51171	1.1
60.07872	1.9
60.08156	32.6
68.06551	1.1
71.08599	3.4
107.31431	1.1
115.88461	1.1
256.29962	100.0
263.76923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1033
Annotation	Lumiflavin
Peak:m/z	Relative Intensity
58.81397	1.2
63.21777	1.3
67.05506	2.0
69.07059	1.8
69.28455	1.1
79.05487	1.3
82.29612	1.2
88.56140	1.3
97.47626	1.3
100.96195	1.5
103.05466	2.0
144.02400	3.9
162.03456	2.7
170.07133	7.4
172.08633	1.9
198.06612	18.2
200.08208	1.5
203.09949	1.5
209.47968	2.0
216.07675	37.9
239.09256	14.3
244.07248	2.1
257.10309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05643	9.5
64.36755	3.8
66.68024	3.4
70.06583	100.0
83.00961	4.4
88.61134	3.7
97.07661	22.8
100.03585	3.9
101.01993	7.5
107.64385	3.6
108.05185	3.9
112.03635	4.4
118.04634	7.7
124.03683	6.1
140.18327	4.4
140.84187	3.7
142.04643	3.9
152.64851	3.9
155.06656	7.2
169.09431	6.3
171.10889	11.8
172.09357	5.8
172.11829	4.8
173.07697	10.2
189.11948	6.9
192.10989	5.4
194.12521	6.8
195.10944	7.0
196.09383	10.8
197.07649	75.2
198.06165	4.8
210.11940	6.5
212.13614	19.6
215.08629	49.6
220.09203	5.5
238.10178	85.9
239.09981	48.5
257.10999	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1282
Annotation	Albonoursin
Peak:m/z	Relative Intensity
60.58397	17.2
62.59874	14.0
67.05488	13.9
73.19666	18.1
77.29721	14.4
81.07030	35.1
91.05416	17.1
95.08580	20.7
121.55064	19.6
125.84106	15.6
139.01746	21.1
144.02348	31.7
162.03375	29.7
185.05174	23.1
201.13844	19.5
212.10843	32.2
228.08914	31.4
229.09720	36.0
229.13455	52.4
242.10535	44.3
243.43224	18.9
257.12881	100.0
257.17413	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97873	21.0
57.75114	21.6
91.71011	34.6
105.07043	38.1
120.11728	26.3
143.75198	29.4
144.02400	100.0
162.03459	59.8
176.40501	27.4
229.13356	55.7
234.31947	32.7
240.79207	27.4
248.73067	28.2
257.12875	96.4
265.34360	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1284
Annotation	Albonoursin
Peak:m/z	Relative Intensity
54.05647	1.6
58.49190	1.9
65.03911	6.2
67.05493	3.7
91.05464	2.4
92.04980	8.4
94.06532	4.4
95.04936	3.5
120.04382	3.6
122.06030	2.5
124.12463	2.2
141.07008	2.0
146.77698	2.3
150.09087	2.1
156.08093	2.2
168.08087	2.3
169.08865	8.8
171.09163	4.1
173.10838	2.2
183.09138	3.8
184.07628	2.8
184.11179	8.7
185.08458	2.6
185.10728	7.7
186.11491	9.8
187.08633	4.6
188.67007	2.1
196.07437	2.4
196.09979	3.0
197.08409	11.8
199.08607	8.5
200.09407	16.2
201.10204	3.3
201.13812	17.1
211.08603	2.4
212.10745	11.0
213.06566	7.3
213.10112	12.0
214.10780	4.1
224.09323	2.8
227.08012	10.9
228.08879	26.7
229.09821	19.1
229.13312	46.1
239.11938	2.8
240.10136	4.5
241.09688	13.2
242.10493	34.0
257.12820	100.0
258.11224	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22950	9.8
53.81053	10.6
53.86081	8.8
55.11407	9.7
56.24726	9.3
56.73729	9.2
59.59908	12.4
63.87796	11.1
67.05502	18.1
69.07061	16.2
71.12045	10.6
79.05486	19.5
81.07062	20.6
91.05482	32.3
91.71671	15.5
93.07013	19.0
95.04929	13.2
95.08588	15.0
105.07022	49.5
107.08595	26.6
109.06509	19.3
119.08581	33.1
121.10155	100.0
135.08061	43.0
142.48259	13.9
143.08589	16.1
144.02377	25.1
159.11731	15.1
162.03461	22.1
173.13245	15.9
199.14841	37.2
213.16353	16.9
214.59982	13.4
257.19107	41.9
258.07605	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.73666	2.7
55.05503	4.3
61.56352	3.2
67.05495	14.9
69.07044	4.8
71.04977	6.1
79.05479	11.9
81.07034	12.3
83.05028	4.0
91.05476	23.3
93.07030	31.1
95.04932	8.8
95.08609	18.5
100.50549	3.4
105.07013	35.5
107.08583	26.9
109.06527	16.6
109.10150	20.2
111.08028	6.1
115.23203	3.2
117.07047	5.4
119.08585	30.6
121.10136	100.0
123.08045	7.4
129.07007	6.1
131.08543	18.8
133.10162	15.3
135.08054	41.2
135.11687	5.4
137.09631	10.8
141.06927	4.1
142.07790	10.8
143.08565	20.9
144.02330	5.2
145.10115	22.0
147.11707	4.8
149.09587	5.1
155.08572	4.4
157.10159	23.6
158.10933	3.9
159.11722	16.6
163.11192	8.0
169.10156	11.6
171.11723	12.0
173.13245	25.8
183.11716	7.4
187.11113	6.6
189.12733	4.8
195.11595	3.8
197.13254	9.0
199.14803	36.5
201.12787	9.4
213.16409	9.1
239.17982	10.9
243.90169	3.9
257.18994	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59048	1.5
51.11465	1.7
55.05503	5.8
57.07074	2.2
60.71246	2.3
67.05499	12.1
69.07067	5.8
71.04985	10.8
76.34298	2.0
76.49303	2.2
79.05488	9.2
80.49269	2.2
81.07044	8.7
83.04935	2.2
84.45158	2.1
85.06532	5.5
90.34188	2.1
91.05467	18.6
93.07034	25.9
94.85359	2.1
95.04954	6.8
95.08582	14.7
103.05480	3.5
105.07023	39.7
107.08597	20.6
109.06513	16.2
109.10162	17.1
111.08080	12.1
115.63018	2.3
116.28412	2.0
117.07037	6.0
119.08568	24.8
120.43031	1.9
121.10141	100.0
123.08078	5.8
123.11685	4.9
128.06224	5.7
129.06993	4.2
131.08556	17.7
132.95818	2.6
133.10112	22.8
135.08041	25.7
135.11725	6.4
137.09641	6.9
142.07788	6.2
143.08554	19.7
144.02390	4.5
145.10167	17.9
149.09694	3.8
155.08496	3.3
157.10110	26.2
158.10909	7.0
159.11703	16.9
162.03473	3.5
163.11287	3.5
169.10141	9.1
171.11743	7.2
172.52023	2.7
173.13277	25.0
183.11703	7.7
184.12495	3.6
187.14813	5.9
197.13278	5.4
199.14813	30.1
201.12689	3.0
213.16397	7.4
215.14427	2.8
215.17876	3.4
239.17958	10.4
257.18982	62.8
257.21591	4.6
264.43900	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32346	33.3
75.08733	33.5
84.58658	31.9
95.08577	38.3
105.07011	30.8
109.10142	43.2
114.09074	39.2
117.20363	33.2
119.08633	41.8
121.10114	100.0
139.01871	43.0
144.02344	76.2
147.11771	37.8
157.10036	36.3
159.11719	42.7
162.03441	55.4
171.11674	37.1
180.94191	35.0
199.14792	63.3
257.18927	91.9
278.23145	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
56.96545	7.3
60.08156	4.8
63.16401	3.8
67.05499	7.0
69.07067	12.8
71.04964	4.7
71.39697	4.2
79.05475	11.2
81.07034	13.9
85.06541	23.6
91.05457	10.8
93.07030	18.7
95.08600	16.9
97.06512	33.5
98.97592	11.4
99.08101	8.8
104.56949	4.3
105.07029	11.6
107.08590	12.6
109.06532	8.5
112.75352	5.0
114.09150	7.3
116.98621	7.8
119.08563	11.1
123.11661	7.0
128.06187	5.0
129.07050	8.3
130.07809	5.0
131.08517	5.6
133.10127	9.1
135.08038	4.6
140.00223	6.1
141.07001	5.9
142.07794	12.3
143.08563	22.1
145.10129	11.3
149.09668	10.3
155.08609	9.9
156.09389	12.9
157.10106	46.2
159.11674	10.2
169.10118	13.0
170.10873	13.2
171.11679	28.0
182.10851	6.4
183.11716	17.9
184.12433	21.5
187.14833	6.4
197.13281	25.3
198.14886	6.4
199.14784	100.0
200.02367	4.6
201.12869	6.0
214.03882	7.1
239.17860	32.9
257.19003	41.4
257.21817	6.6
265.74323	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1898
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05487	7.1
55.28835	2.3
65.03905	2.8
66.52362	2.4
67.05502	12.8
69.07045	7.4
71.04971	6.1
72.08157	4.9
73.47755	2.3
79.05473	10.7
81.07024	8.1
83.08555	3.2
85.06510	6.6
88.94238	2.9
90.09161	3.7
91.05471	18.4
93.07027	27.7
95.04935	9.6
95.08603	15.7
97.06470	2.6
105.07018	38.2
107.08594	25.1
108.67160	2.8
109.06493	14.2
109.10133	11.9
111.08032	3.5
115.05442	2.6
117.06995	7.5
119.08561	35.5
121.10137	100.0
123.08027	6.2
123.11623	2.8
125.76706	2.6
128.06245	3.3
129.06981	6.1
131.08586	17.0
133.10095	16.5
135.08038	31.4
135.11584	3.7
137.09547	7.8
139.47752	2.4
142.07755	7.0
143.08549	22.3
144.02336	4.2
144.09331	5.1
145.10123	25.1
147.11588	3.3
149.09607	5.3
155.08575	4.6
156.09288	5.0
157.10103	27.3
158.10886	3.5
159.11678	23.3
162.03342	4.4
163.11118	5.3
169.10112	9.2
170.10884	3.7
171.11673	9.8
173.13228	25.3
174.13977	4.4
183.11665	10.9
187.11197	4.3
187.14803	2.9
197.13234	10.3
199.14804	35.5
201.12756	11.6
213.16356	10.9
215.18022	8.1
239.18015	13.9
257.18954	99.4
258.27921	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.69389	2.6
56.81167	3.4
57.96648	3.0
63.24203	2.8
64.45901	3.0
67.05473	9.4
69.07050	4.0
70.33332	3.1
71.04992	4.5
73.28615	3.1
74.26485	3.0
77.35697	3.5
79.05476	8.3
81.07058	8.5
88.39216	3.8
91.05473	16.4
93.07031	25.0
95.04964	10.1
95.08592	10.6
103.56129	3.8
105.07028	28.5
107.08565	19.8
109.06515	10.4
109.10165	8.1
119.08575	20.0
121.10136	100.0
121.34921	3.8
123.08052	5.4
123.11710	4.0
129.07005	4.4
131.08601	8.2
133.10088	8.4
135.08073	24.5
143.08514	18.0
144.02310	4.7
145.10170	8.3
156.09280	4.0
157.10127	11.1
159.11719	6.6
169.10213	7.9
171.11594	5.2
173.13255	13.7
199.14801	28.3
201.12862	4.4
213.16405	9.2
239.18056	8.1
240.76294	4.2
257.18997	68.1
258.27902	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.11
Annotation	Glycerophosphocholine
Peak:m/z	Relative Intensity
50.31172	0.7
53.66612	0.8
60.08160	8.2
71.07363	2.4
77.87717	0.9
86.09690	18.9
90.53609	0.8
98.98463	4.0
104.10735	100.0
124.99992	20.8
184.07291	7.5
187.54146	1.1
216.46454	1.0
243.94106	0.9
245.20668	0.9
258.11005	16.3
271.01840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12712	1.0
56.05016	2.7
56.96551	3.3
57.03421	1.1
60.08149	1.5
60.48417	1.0
65.75333	1.2
69.03424	1.5
70.06562	3.6
72.08148	3.8
83.06090	1.7
84.04494	26.7
84.08134	99.1
85.02863	2.8
86.09698	5.1
91.05506	1.6
91.71581	1.7
100.02183	4.6
101.10753	1.6
104.10726	11.5
104.85432	1.5
125.00066	1.5
129.10231	100.0
130.04956	6.0
142.95773	1.3
146.02676	3.0
156.66925	1.1
195.11205	2.7
198.00696	1.5
258.11215	2.1
258.14539	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	6.5
70.06553	1.2
71.08607	2.7
72.08146	28.4
85.10171	1.2
88.07642	1.5
89.93177	1.2
90.06168	1.1
90.09180	22.4
119.38036	1.0
133.14801	1.1
151.20259	1.0
154.92393	1.2
258.27893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	8.4
56.96542	10.4
64.83114	4.3
66.95586	4.6
67.05504	5.8
68.30927	3.9
69.03410	12.9
70.06545	4.6
79.05487	4.2
80.07930	4.4
84.04493	27.3
84.08125	4.2
85.02901	9.7
85.66496	4.0
86.09701	5.4
86.90820	4.2
95.08610	5.9
97.02899	8.5
97.30118	3.6
100.11247	100.0
102.05486	5.3
107.25610	4.0
115.03925	11.2
130.04964	25.6
130.12289	6.2
140.00171	5.0
168.13863	43.0
173.16486	5.2
196.13329	70.4
218.97513	5.6
242.13774	29.0
259.16537	5.2
260.00076	8.8
283.23712	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.8
69.03408	0.5
69.07057	2.2
70.06573	1.8
72.08140	0.9
85.08904	1.7
95.51077	0.7
97.02894	1.0
100.11244	100.0
115.03934	1.3
132.95589	0.5
154.80124	0.6
174.44165	0.7
208.20926	0.7
215.92406	0.6
259.20172	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.3
63.69868	1.0
65.71542	1.2
66.07650	1.1
66.13401	1.1
69.03419	25.6
70.06557	1.1
84.04456	1.4
86.09699	100.0
87.04448	1.2
93.69990	1.2
95.08649	1.1
97.02913	1.8
100.11250	13.9
109.17245	1.3
115.03936	3.4
146.11743	24.9
199.18077	1.4
259.20255	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28941	0.6
58.06579	2.4
69.06718	1.0
69.07058	7.9
71.07348	2.6
100.11247	100.0
107.98378	0.7
108.77003	0.6
124.19157	0.7
177.05339	0.7
203.45663	0.9
234.03299	0.7
247.52310	0.8
259.20135	6.7
274.67725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74748	1.2
58.06588	8.5
69.03417	2.6
69.07050	1.7
70.06587	2.2
81.57644	1.2
95.04921	1.3
97.02880	1.8
99.17702	1.2
100.11248	100.0
106.88010	1.3
108.96596	1.2
115.03935	2.9
125.52167	1.1
125.91235	1.4
126.65503	1.1
190.95308	1.4
197.63768	1.3
224.20874	1.3
259.20139	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05494	12.6
66.19709	6.2
67.05462	13.4
69.07057	45.7
71.04971	45.6
81.07041	21.5
82.77340	8.3
83.04962	11.5
83.08625	13.0
85.06531	37.6
91.05482	19.6
93.07033	22.2
95.08595	19.3
100.11244	7.7
105.07035	40.4
107.08580	22.3
109.06501	21.2
109.10149	10.9
111.08070	18.4
117.07021	7.6
119.08581	62.7
119.13585	6.7
121.10139	17.6
123.11700	27.6
131.08609	18.7
133.10146	46.6
133.26450	6.8
135.08035	19.3
139.77177	6.7
140.45802	7.8
143.08597	8.2
145.10144	30.3
147.11705	18.1
157.10100	10.3
159.11697	33.0
161.13234	49.0
163.09795	8.1
169.76370	7.7
171.11685	17.6
173.13263	9.1
175.14807	100.0
185.13271	15.5
189.12602	7.3
201.16396	16.2
203.14261	8.7
241.19670	11.0
259.20541	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	Bactacine
Peak:m/z	Relative Intensity
60.00527	22.3
64.10712	33.0
67.05486	23.6
69.07058	47.9
71.04978	78.6
72.00233	28.8
81.03477	25.4
81.07037	43.8
84.39823	26.1
93.07059	26.7
95.08579	38.0
100.11253	100.0
105.07052	39.9
119.08624	49.8
121.10172	29.9
123.11736	31.9
124.90830	29.8
133.10153	47.5
135.08015	32.9
145.10150	65.6
159.11743	44.5
161.13284	38.6
175.14830	79.6
201.16486	41.6
246.01297	29.6
259.20633	93.2
261.55438	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05501	8.5
56.96564	12.3
57.03415	7.2
57.07068	6.4
57.16121	4.8
62.19297	6.2
67.05492	16.0
69.03432	12.6
70.77618	6.6
79.05487	10.7
79.75961	5.5
81.07054	18.2
83.88447	5.6
85.00184	5.7
90.46831	5.4
91.05479	35.5
93.07051	13.8
95.08594	18.5
97.06538	9.5
100.11261	89.6
105.07020	73.1
107.08588	14.5
109.10093	7.7
115.03923	22.5
117.06953	16.4
119.08581	28.2
121.10156	10.1
121.86659	7.3
129.07062	10.0
130.28947	6.6
131.08536	16.0
133.10164	21.9
143.08574	9.0
145.10104	15.1
147.11681	19.1
157.10156	11.2
158.17575	6.4
159.11699	28.7
161.13264	25.7
171.11714	19.8
173.13371	12.0
175.14833	29.1
189.16309	8.1
196.61253	7.8
198.38045	8.0
213.96942	7.3
241.19524	56.1
258.27948	7.4
259.20593	100.0
259.28113	11.1
260.00259	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52385	2.6
53.07473	2.5
56.96565	5.0
72.08139	7.2
73.16467	2.9
73.76112	2.8
81.03440	5.2
84.04520	4.1
84.08085	4.6
85.02924	3.7
86.09682	6.7
95.53694	3.2
98.08422	15.8
98.97542	5.1
101.85892	2.9
107.04947	86.4
116.98653	3.8
122.43202	3.5
125.09499	7.7
126.10294	8.7
130.07356	12.7
151.96700	3.8
153.08937	17.6
154.09737	35.8
157.13348	4.2
191.20059	3.2
219.64461	4.0
260.13910	100.0
260.16757	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75799	1.3
56.96558	18.5
57.07075	11.8
67.75433	1.4
70.06580	16.9
71.08604	3.0
73.99241	1.3
83.52133	1.6
85.10176	1.8
88.07619	21.4
97.99184	1.7
102.09167	4.4
106.08655	7.5
115.96130	1.5
116.38546	1.4
154.93188	2.1
169.50856	1.6
172.94283	7.0
184.54095	1.7
190.95335	5.7
195.95627	7.7
213.96907	9.4
216.23174	1.8
218.97244	14.7
236.98434	9.3
242.24760	6.8
260.00067	12.5
260.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1443
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
56.05026	2.5
60.77354	1.4
62.22487	1.8
70.34009	1.6
70.66472	1.4
74.96093	1.8
84.04497	65.0
84.05009	3.6
86.09697	100.0
91.71118	2.8
102.05524	3.1
109.18356	1.4
127.60482	1.8
130.04999	9.5
132.10194	53.4
132.11189	3.6
135.19980	1.6
139.86563	1.6
142.05009	5.6
156.58951	1.9
161.75467	1.5
173.77061	2.2
198.11205	10.0
204.13809	1.7
244.11728	9.0
261.14420	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
56.38523	1.8
56.96551	5.1
58.06578	3.5
60.96508	1.6
69.03420	1.8
69.07067	13.5
70.06600	2.8
71.07348	2.7
72.08138	1.6
74.02449	1.9
78.87602	2.0
84.04498	13.6
84.08129	3.0
84.96051	2.4
86.09695	100.0
87.05579	4.2
90.13082	1.7
90.65701	1.9
91.71084	2.4
98.97581	3.3
100.11247	98.0
100.21153	2.1
102.05514	2.4
106.03362	2.1
109.07533	1.9
116.98579	2.1
130.05009	6.1
133.06078	7.3
140.00183	3.7
148.06046	12.1
152.00262	2.4
261.05798	7.3
261.14587	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	3.4
58.06599	1.9
59.20250	1.1
69.07047	5.4
84.04494	63.2
84.08154	2.1
85.02886	2.2
86.09695	100.0
102.09175	26.4
130.04984	10.0
132.10196	42.3
144.81177	1.4
152.10643	1.4
174.85329	1.8
198.11235	9.7
244.11865	6.7
259.44641	1.7
261.14523	11.7
261.18100	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.19926	4.8
53.22906	4.8
55.05502	13.7
62.47816	5.2
63.80207	4.5
67.05495	60.2
69.07052	18.4
79.05473	35.8
81.07050	66.2
83.08623	8.3
91.05474	36.5
93.07026	71.4
95.04964	8.7
95.08592	44.7
97.06489	7.0
105.07021	18.4
107.08582	48.2
109.10150	19.4
118.84637	5.3
119.08584	15.3
120.14156	5.5
121.10141	40.9
123.11707	5.8
131.08563	12.7
133.10143	16.7
135.11659	28.0
145.10107	9.3
147.11655	13.6
149.13242	28.9
161.13222	13.8
162.57179	6.3
163.14856	27.0
173.13306	7.2
187.14766	6.3
210.80014	5.8
223.26636	5.5
236.08279	7.0
243.21019	39.6
261.22101	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24410	6.6
52.76734	7.1
55.05502	16.0
55.97752	6.7
56.96565	9.6
57.07076	16.3
67.05499	55.5
69.07078	10.4
79.05470	57.8
81.07034	58.3
84.04498	7.8
85.06564	8.4
86.22983	6.9
91.05495	33.0
93.07034	54.7
95.08601	42.9
99.08108	10.4
105.07049	19.9
107.08627	33.5
109.10178	13.3
117.06998	18.5
121.10149	61.6
127.30959	8.9
131.08624	31.6
132.22697	8.4
133.10204	18.6
135.11700	15.6
145.10175	27.6
147.11732	12.9
159.11722	16.4
161.13347	15.5
163.14890	32.2
173.13297	26.6
177.16443	24.0
187.14786	14.6
220.09766	11.3
243.21065	72.6
261.22104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
56.96553	22.6
63.26501	11.8
67.05486	62.5
78.65213	14.1
79.05490	49.3
81.07048	91.3
91.05463	28.0
93.07037	88.2
95.08613	52.7
105.07011	18.2
107.08609	45.6
109.10164	24.0
117.06946	12.5
121.10142	59.2
131.08427	14.7
133.10112	18.1
135.11710	42.3
137.06099	15.5
145.10129	26.1
149.13274	32.9
157.56381	15.7
163.14857	22.2
168.88898	16.9
173.13176	17.5
243.21184	39.0
261.22089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
53.03942	4.8
55.05493	17.1
57.07055	10.5
65.51923	4.2
67.05228	4.8
67.05502	58.4
69.07056	16.7
70.82903	5.4
71.04991	4.5
79.05492	47.8
81.07056	66.0
83.08599	7.8
83.80398	5.4
84.04486	4.9
85.79580	5.7
90.82612	4.5
91.05485	33.2
93.07040	72.8
95.04964	8.1
95.08605	45.6
97.06532	5.7
105.07030	17.5
107.08587	42.0
109.10153	15.8
111.08097	5.1
117.06996	7.1
119.08587	20.5
121.10140	43.7
131.08574	17.2
133.10172	14.4
135.11673	37.7
145.10147	12.3
147.11719	14.0
149.13220	30.7
159.11632	10.5
161.13257	14.2
163.14813	30.5
173.13239	9.9
175.14857	5.6
187.14772	7.2
187.42207	5.8
225.60696	5.5
243.21118	45.1
254.15666	6.7
261.22137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24134	8.7
56.96555	24.9
60.04515	68.9
63.87158	8.9
68.05013	36.0
69.03404	16.8
70.38267	8.0
72.04494	17.8
72.95774	7.6
73.12341	8.1
74.02435	8.1
81.03416	13.3
84.04501	24.9
85.02892	17.6
96.04486	75.4
97.02874	20.0
104.99260	17.0
110.54105	9.2
112.03978	39.8
113.02367	20.5
114.05518	100.0
124.03963	33.5
125.02370	18.4
132.06621	15.4
142.05022	62.9
156.06522	17.7
157.04977	24.3
160.06061	34.9
178.07010	16.5
179.59431	9.9
202.07120	35.4
216.46381	11.1
220.08203	37.3
243.12123	12.3
261.26111	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1033
Annotation	H-Asp-Gln-OH
Peak:m/z	Relative Intensity
51.54932	1.8
52.51836	1.9
54.30809	1.9
56.05031	2.6
57.54969	1.9
63.46413	1.9
66.86653	2.1
70.02942	5.8
74.02437	22.6
84.04497	70.7
84.74825	2.0
85.02899	3.5
87.05587	66.2
88.03980	11.5
112.13146	2.5
116.03432	11.6
129.06609	2.6
130.04979	12.6
133.06087	100.0
182.04495	7.7
199.07239	3.8
245.07729	5.6
262.10309	10.8
264.50555	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00592	1.0
57.07067	8.4
62.91092	0.9
70.06237	2.0
70.06583	24.6
70.80480	1.2
71.08606	5.7
84.08147	1.3
84.99878	1.3
88.07114	1.4
88.07620	18.7
88.44475	1.4
96.73455	1.1
98.80496	1.2
102.09163	1.8
103.75333	1.1
105.16312	1.3
106.08646	4.2
114.09157	5.7
114.91024	1.2
118.08622	2.5
132.10194	22.2
150.11252	19.9
160.60797	1.5
186.18562	2.1
218.21129	6.6
262.23746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	13.5
57.07053	8.0
58.06579	8.4
60.04486	2.3
61.02655	1.5
71.02329	1.5
71.08607	3.5
74.06078	13.1
86.06061	3.0
88.07096	3.2
88.07623	45.7
96.71379	1.7
104.99261	4.1
114.74387	2.0
118.08622	7.5
122.08152	7.3
134.22116	1.7
188.24533	2.0
214.21645	48.0
220.78343	2.1
230.36293	2.1
262.23761	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2377
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
51.40057	2.0
52.14712	1.6
57.07062	11.9
59.24287	1.9
66.61839	1.6
67.30598	1.6
69.56994	2.0
70.06584	29.6
71.08617	6.9
88.07623	34.0
88.08152	2.9
97.41671	1.9
102.09185	23.5
157.48456	2.5
186.92714	2.5
200.20091	62.4
244.22595	3.0
262.23755	100.0
272.33469	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85538	7.1
61.08537	8.9
61.90282	9.2
85.13629	10.4
101.00883	32.4
105.22345	9.9
119.01918	47.7
124.02477	12.0
127.76829	10.6
130.93456	9.6
131.01913	13.9
142.03497	36.7
143.01891	63.1
148.15822	10.8
151.09926	10.8
154.03481	22.7
155.02016	16.0
161.02965	86.1
173.02957	27.5
184.04526	100.0
191.04008	17.2
194.31853	11.9
196.04533	25.1
203.04030	37.4
214.05612	25.8
238.52875	10.4
263.01794	25.8
263.06082	44.3
277.08093	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05496	13.6
57.07066	7.9
67.05131	6.2
67.05493	100.0
69.07051	15.6
71.08617	5.3
75.00259	4.2
75.73286	3.8
79.05479	17.5
81.07042	89.9
83.08611	14.2
91.05465	17.8
93.07037	19.8
95.08599	85.2
97.06546	6.7
97.10152	7.4
99.08060	5.0
104.99308	4.5
105.07026	12.2
107.08580	13.9
109.10126	33.7
119.08597	17.4
121.10114	13.1
123.11697	18.6
132.38643	5.0
132.80901	4.3
133.10109	10.4
134.40857	4.0
135.11659	9.2
137.13306	7.2
138.16777	4.2
147.11674	7.0
149.13293	8.1
151.14815	5.8
152.20065	4.3
161.13164	6.1
163.14766	7.0
165.16396	8.6
219.70798	4.5
239.23990	4.6
243.87340	5.0
245.22600	28.4
263.14807	9.3
263.23611	58.2
273.85455	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82584	16.9
51.81085	16.4
56.96555	22.3
57.07064	31.7
67.05486	43.3
67.73501	19.2
76.89429	21.4
81.07046	100.0
84.11961	22.3
87.96735	23.5
92.25403	21.2
93.07025	26.1
95.08591	52.2
104.99270	55.2
109.10172	30.8
127.56221	28.7
132.73364	23.0
141.02466	25.2
181.02960	30.6
222.00507	32.6
263.23727	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88223	22.1
62.02589	24.7
67.05490	85.6
81.07044	100.0
91.05500	35.2
91.71075	48.9
93.07053	26.7
95.08624	82.4
104.99249	28.4
109.10162	34.8
118.19207	27.1
152.34544	30.4
158.72810	26.1
162.98486	25.7
214.29959	26.6
263.23599	73.3
272.45874	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.71276	2.8
55.05497	13.7
57.07057	12.5
60.31819	2.5
60.50071	3.1
63.70316	2.6
65.03942	4.0
67.05495	87.9
69.07058	11.1
69.89522	2.9
71.08622	7.5
76.86396	3.1
77.46932	3.0
79.05098	3.9
79.05485	22.9
81.07047	100.0
83.08591	12.8
85.06535	3.5
91.05492	20.4
93.07032	20.3
95.04967	3.7
95.08595	81.3
97.06541	5.5
97.10188	4.8
104.99301	3.9
105.07024	9.2
107.08600	8.9
109.10158	38.3
111.08128	3.5
119.08567	11.7
121.10142	13.7
122.69283	3.5
123.11688	11.4
133.10130	15.1
135.11719	9.1
137.13304	6.2
147.11719	7.8
149.13242	5.0
151.14825	8.6
161.13258	7.5
163.14828	4.3
165.16402	8.3
175.14873	6.3
178.89261	3.5
179.17836	6.0
211.88237	3.4
245.22626	20.3
263.23636	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45324	1.0
52.94219	0.9
55.01616	1.8
55.01868	24.8
55.05486	1.7
58.99572	1.7
59.29733	0.9
59.32628	1.1
64.31888	0.9
67.05499	1.2
69.03404	1.1
69.07052	1.2
76.02220	6.3
79.05471	3.2
81.07038	2.6
83.04973	13.7
86.99051	1.1
90.22590	1.0
97.02885	1.1
105.00087	2.5
105.77413	1.1
107.08597	5.0
109.26441	1.1
115.02091	1.3
122.02728	19.8
122.07166	1.7
125.09627	100.0
143.10699	10.4
163.04004	1.1
264.12643	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1116
Annotation	Thiamine
Peak:m/z	Relative Intensity
69.08105	0.8
70.81992	1.0
80.04992	1.8
81.04531	15.3
96.26273	0.9
103.35066	0.8
113.02966	1.2
117.36206	0.9
122.07142	100.0
123.07471	1.1
125.09248	1.1
144.04767	26.7
191.04860	1.3
214.63205	0.9
241.57243	1.2
245.26149	1.0
265.11188	1.2
275.64151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1546
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.63579	1.1
54.09482	1.0
55.05503	10.3
55.05706	0.9
57.05808	1.2
59.18914	1.0
67.65599	1.1
70.06586	1.9
72.08145	100.0
72.44968	1.0
75.90401	1.0
78.38483	1.0
81.04533	1.7
83.49006	1.1
84.08183	3.3
86.09757	1.9
91.05493	1.2
115.31038	1.1
119.04977	1.7
120.08096	13.3
122.07158	9.2
144.04829	4.0
147.04399	6.6
166.08665	7.2
248.99541	1.4
265.07233	1.3
265.15442	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1797
Annotation	Clitocybulol B
Peak:m/z	Relative Intensity
58.60564	4.2
67.05498	13.5
72.16928	5.1
73.13361	4.3
79.05476	17.5
81.07043	22.2
81.31163	4.7
83.99105	4.8
91.05482	15.4
93.07040	29.6
95.04948	5.9
95.08615	9.9
105.07016	23.0
107.04955	7.3
107.08587	18.8
108.17495	6.5
109.06505	11.5
117.07048	11.7
119.08569	9.5
121.06546	6.7
121.10139	13.1
122.07143	6.5
123.08070	5.7
131.08569	15.3
133.10109	7.9
135.11670	8.6
145.10081	31.4
147.11650	5.6
149.09619	33.7
163.11201	14.0
176.47299	5.6
187.11195	9.7
191.10596	6.8
229.15839	10.0
237.81291	6.2
247.16985	12.3
265.17923	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1797
Annotation	Speciosin K
Peak:m/z	Relative Intensity
52.97916	6.5
54.09909	6.9
55.05471	7.6
58.83905	7.2
67.05460	11.2
81.07019	9.9
91.05476	8.7
93.07033	17.3
93.34620	8.2
95.08559	7.6
98.87478	8.3
105.07028	19.7
107.08595	15.8
109.22134	7.9
113.87305	9.3
117.06995	10.0
118.79739	10.8
119.08569	19.8
122.07164	33.4
131.08574	17.6
133.10162	10.9
144.04767	9.6
145.10118	60.0
159.11674	31.9
163.11073	10.5
173.09615	9.6
191.10645	16.9
201.16382	25.9
207.60413	8.8
211.17935	8.6
219.17477	17.1
247.16872	100.0
252.95755	9.1
258.11246	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2525
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.05501	68.1
57.07062	23.9
62.22651	6.9
64.80421	7.2
67.05498	72.5
69.07056	97.4
71.08616	20.3
75.13618	7.1
79.05486	35.0
79.91855	6.9
81.07044	81.4
83.08614	84.1
91.05481	7.9
93.07027	44.3
95.08598	61.0
97.06528	18.3
97.10152	53.9
107.08611	38.4
109.10163	30.5
111.08081	15.5
111.11699	14.2
118.76530	7.1
121.10136	57.3
122.07164	15.9
123.11716	10.4
127.09731	7.7
135.11670	42.0
149.13277	19.1
163.14885	9.0
165.16388	8.6
247.24223	36.5
265.14838	8.1
265.25244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
74.83587	1.5
78.04110	1.7
84.34102	1.9
90.31177	1.6
91.05476	100.0
126.96542	1.6
142.93430	1.8
181.25607	1.7
224.14418	5.0
247.30847	2.1
266.15375	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56020	5.3
53.58679	5.4
54.81228	5.8
60.89959	5.9
71.83121	6.0
73.02885	9.1
74.00681	8.4
76.66718	7.2
84.04494	100.0
92.14781	7.4
95.05016	7.8
106.33585	7.0
107.59803	6.7
116.17501	7.2
120.99538	39.9
130.05013	22.2
138.02199	40.8
160.76010	7.3
171.02567	7.4
190.09262	8.5
267.06561	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.7
67.05489	1.7
69.03409	2.2
83.04957	1.8
83.08611	2.0
88.16107	1.5
91.71597	2.7
95.15433	1.6
100.11257	6.3
101.29171	2.0
102.05017	2.0
136.06175	2.5
141.31541	2.1
165.94273	2.1
181.12341	1.9
193.08458	5.1
209.07837	13.9
220.27507	1.9
249.10947	5.0
267.12006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1201
Annotation	2'-Amino-2'-deoxyadenosine
Peak:m/z	Relative Intensity
70.65392	1.4
75.08121	1.6
84.45445	1.5
96.63830	1.7
113.14613	1.6
136.06171	3.2
145.34875	2.0
185.77904	1.9
193.08318	3.3
209.07831	16.4
249.11101	3.8
267.12018	100.0
273.82413	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1339
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
51.59600	0.7
56.05030	1.6
59.60964	0.9
82.28963	0.9
84.04498	28.9
91.05492	2.4
93.07040	5.9
95.05003	1.8
102.05540	1.0
103.05492	2.5
114.53017	1.0
121.06501	100.0
121.18320	1.0
130.04996	14.5
138.09138	14.9
164.26563	1.1
174.10779	1.1
178.15775	1.0
221.12973	3.7
250.10713	10.6
267.13345	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	10.5
55.05495	6.9
56.96555	3.3
63.86872	3.2
66.51790	3.0
67.05499	7.9
69.07040	4.9
79.05472	6.7
81.07043	10.2
91.05468	59.8
91.71637	5.9
93.07040	11.4
95.04958	9.1
105.07023	77.9
105.92332	4.0
117.06975	5.4
119.08587	33.1
129.07005	15.3
131.08562	21.0
133.10117	75.1
136.06163	11.3
142.07806	8.7
147.08063	6.3
147.11655	37.4
157.10144	16.5
175.11177	79.7
209.07851	18.3
249.11038	5.1
267.12006	100.0
273.95346	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	3.6
62.72685	0.5
70.62076	0.4
77.96404	0.5
91.05473	0.9
91.70997	1.0
95.08537	0.6
98.98460	100.0
116.99483	1.1
123.70570	0.6
136.06206	1.3
140.01076	8.9
140.02061	1.0
146.89328	0.7
155.04683	2.5
185.13380	0.6
196.07469	0.6
211.10974	0.6
232.48563	0.5
267.21176	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01419	6.5
63.46924	7.2
81.04508	8.2
88.64039	7.5
110.07212	8.1
122.07175	59.9
123.07501	34.9
142.15915	7.6
150.96198	8.1
164.98834	87.3
180.98370	58.9
194.01422	10.5
208.02997	8.9
224.06206	14.7
238.12750	9.6
240.11603	9.0
265.32950	10.5
268.05130	100.0
288.18301	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1649
Annotation	Daimuron
Peak:m/z	Relative Intensity
57.07076	1.7
65.03928	1.9
72.04146	1.6
72.04511	19.7
81.07066	2.7
91.05474	100.0
93.07021	1.7
95.08612	1.4
101.07142	3.8
105.07058	2.1
107.08586	1.8
115.72964	1.2
136.06200	2.2
136.11215	5.6
145.10124	1.6
157.10133	2.7
165.07047	1.8
166.07796	1.6
171.11726	1.8
181.10149	4.3
238.81187	1.4
245.07629	1.5
269.16351	3.5
269.22720	5.7
294.69034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62860	10.2
53.31725	10.4
55.05492	25.6
57.03422	24.7
66.17808	9.4
67.05505	55.0
69.03418	12.5
69.07061	17.1
70.69411	11.4
71.08593	10.7
79.05488	21.8
81.07042	100.0
91.05480	30.1
93.07031	46.7
95.04945	11.4
95.08595	22.1
100.11256	39.5
105.07017	20.2
107.08588	19.3
109.10123	12.1
117.07047	14.5
131.08542	16.0
133.10120	20.4
136.06055	14.2
149.13245	17.5
159.11734	29.5
185.84093	12.4
209.04347	11.7
269.17474	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	35.3
56.19920	13.0
56.31460	14.1
56.96582	15.0
57.03427	32.0
57.07073	40.4
61.06184	12.6
67.05491	94.4
69.07049	30.6
78.34361	13.4
79.05479	31.7
81.07041	100.0
83.08620	20.7
91.05483	21.0
93.07046	63.1
95.08611	27.4
103.51723	14.7
104.99280	26.2
105.41248	17.3
107.08593	34.9
120.15154	17.0
121.10117	15.7
131.08583	25.7
133.10123	30.3
136.06223	23.1
137.06598	26.6
149.13309	21.4
159.11722	27.5
160.88753	17.2
177.12645	18.8
215.51868	15.8
235.08565	17.0
236.56870	18.1
266.14212	17.8
269.17459	34.8
281.04813	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
55.05505	17.9
57.03423	16.9
67.05502	90.1
69.07041	15.3
77.82113	9.6
79.05479	23.4
79.22701	10.2
81.07040	100.0
83.08620	18.4
91.05463	30.5
93.07032	83.1
93.91266	9.5
95.08596	19.4
97.06557	11.1
107.08609	20.2
111.08071	13.6
121.10152	15.6
131.08604	15.8
133.10147	14.5
135.11697	16.0
136.06189	23.2
137.06567	17.0
142.80656	12.3
149.13239	31.5
159.11691	12.8
166.56657	12.3
171.32576	13.5
177.12744	12.3
188.11841	10.6
260.00525	12.0
269.17487	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	38.7
67.05500	96.4
69.07043	47.6
81.07055	77.6
82.76485	40.2
91.05499	49.3
91.71011	43.2
93.07047	55.1
93.87630	45.1
94.41899	39.1
95.08609	83.5
104.99289	60.9
105.07037	61.3
119.08569	100.0
123.42939	51.6
136.06241	57.0
145.10104	59.3
171.11780	61.4
239.30371	61.0
253.26414	48.6
269.18954	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64880	4.2
57.25277	3.7
60.08152	55.3
60.12462	3.9
69.07052	11.6
86.09710	11.0
89.47292	4.3
97.06557	4.9
97.52360	5.1
109.70564	4.5
127.26986	4.5
145.26483	5.4
154.24431	4.8
178.82939	5.2
220.38908	6.1
241.22702	100.0
254.97697	5.2
273.88428	5.6
276.53934	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34163	4.8
53.30957	4.7
58.06584	5.0
58.45358	4.5
60.08157	65.6
60.93595	4.7
62.43554	4.3
66.97530	5.2
69.07052	16.8
70.06611	5.1
86.09697	16.1
86.24639	5.4
97.06505	6.8
152.87404	6.4
241.22694	100.0
248.70076	5.7
261.87885	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2263
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.05500	6.1
56.96535	4.9
57.45661	4.9
63.25875	4.0
67.05493	24.4
69.07061	7.3
72.74008	4.3
79.05491	9.2
81.07039	40.2
83.08604	6.3
93.07034	15.0
95.08611	31.9
99.25648	5.3
105.07037	19.8
105.71053	4.8
107.08578	21.8
109.10150	18.5
110.33522	4.6
117.06998	8.1
119.08590	16.2
121.10139	10.2
131.08582	20.0
133.10120	14.2
135.11761	6.9
143.08601	7.5
145.10124	19.5
147.11703	9.6
149.13234	7.0
157.10123	6.0
159.11729	19.6
161.13271	9.7
171.11714	6.6
173.13211	12.4
175.14909	10.3
199.14789	14.7
213.16408	12.7
227.18005	7.1
241.19623	12.9
269.22629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10365	4.2
56.05035	35.9
56.05264	5.3
56.09111	4.9
60.08166	8.1
61.01137	23.3
69.03090	7.3
69.03423	93.2
69.07056	6.2
71.08614	6.5
72.08142	47.6
86.09676	8.2
98.60342	4.8
104.05336	36.6
112.05344	5.7
115.76543	5.5
124.07581	56.7
142.83215	5.4
152.31485	5.3
154.12303	6.5
170.86858	5.7
172.07907	14.4
172.11559	18.3
230.03308	5.7
242.23038	10.3
258.37189	7.2
270.16348	100.0
270.19498	11.2
271.06128	9.4
281.04340	5.8
283.83316	7.2
289.82950	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10365	4.2
56.05035	35.9
56.05264	5.3
56.09111	4.9
60.08166	8.1
61.01137	23.3
69.03090	7.3
69.03423	93.2
69.07056	6.2
71.08614	6.5
72.08142	47.6
86.09676	8.2
98.60342	4.8
104.05336	36.6
112.05344	5.7
115.76543	5.5
124.07581	56.7
142.83215	5.4
152.31485	5.3
154.12303	6.5
170.86858	5.7
172.07907	14.4
172.11559	18.3
230.03308	5.7
242.23038	10.3
258.37189	7.2
270.16348	100.0
270.19498	11.2
271.06128	9.4
281.04340	5.8
283.83316	7.2
289.82950	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2789
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
54.37183	2.4
57.07054	6.9
67.47959	2.2
72.04494	7.4
77.41418	2.5
89.10946	2.1
90.85159	2.1
102.09190	3.0
116.10709	4.6
130.12270	2.6
144.67264	2.8
189.24699	2.5
233.66034	2.7
270.27902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0788
Annotation	Micrandrol C
Peak:m/z	Relative Intensity
69.03413	17.3
70.06583	26.4
72.08151	28.7
81.07063	17.1
86.09715	33.3
100.11278	15.4
103.25199	15.0
110.07234	26.0
111.42501	16.2
115.29854	17.6
120.70927	16.6
129.86494	18.5
156.24776	17.9
202.50961	18.6
270.99591	19.3
271.08044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
56.05022	3.9
56.94052	1.4
57.74903	1.1
68.99769	1.3
69.03415	7.0
70.06580	5.5
81.03400	4.8
82.02924	1.6
83.01358	2.1
84.04497	66.0
84.08118	2.0
85.02885	1.6
96.04479	7.5
97.02884	29.9
98.06042	2.7
102.05505	1.7
109.02895	2.0
117.13930	1.3
124.03973	5.4
125.02348	100.0
127.03893	3.2
130.04987	17.0
134.05991	2.1
142.05032	8.1
152.07051	2.9
164.61989	1.4
198.43303	1.5
208.06096	1.8
233.37874	1.4
271.09262	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.144
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
53.44717	2.9
58.32660	3.3
67.99796	3.1
74.29408	3.2
79.05532	3.7
96.08164	6.3
108.08099	21.7
122.09700	5.9
127.35574	3.9
134.06107	4.3
139.59758	3.9
168.08125	4.2
169.08949	10.5
183.10419	5.6
196.07578	9.9
197.08382	25.1
198.12828	11.5
199.08784	12.9
199.12518	4.8
210.09221	4.2
211.09909	39.3
213.10283	27.5
214.11078	7.4
215.15508	8.2
226.12267	65.7
227.11830	22.9
228.12550	41.3
229.74194	4.9
243.14917	35.6
247.72603	5.4
253.13409	9.5
256.12112	6.1
271.06110	5.3
271.14386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1441
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
53.25463	4.8
55.05508	7.0
57.07051	6.9
58.00923	5.5
67.05499	7.0
69.07047	7.0
79.05484	5.9
81.07039	25.2
91.71107	8.0
93.07030	15.1
95.08592	17.0
96.08075	7.3
105.07034	22.3
107.08588	13.1
108.08099	29.0
109.10139	19.9
119.04929	9.5
119.08633	7.1
121.10147	16.8
122.31237	5.7
131.08499	6.2
135.11716	8.3
157.10052	8.8
168.08110	9.4
169.08951	8.2
175.14830	8.8
183.10440	9.2
193.25253	7.7
196.07489	7.3
197.08351	21.1
198.12822	13.3
199.08842	10.4
211.09912	30.6
213.10339	20.7
226.12267	57.6
227.11841	22.1
228.12541	45.9
243.14838	35.4
245.22972	6.9
255.11261	16.5
256.11868	14.0
271.05933	53.4
271.14398	100.0
271.24261	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05489	4.6
67.05482	14.7
67.31534	2.3
69.07060	16.6
72.21983	2.2
79.05470	6.2
81.07043	40.4
81.22311	2.3
83.08582	6.1
91.05465	9.4
91.70979	2.6
93.07027	17.1
95.08595	33.4
95.22361	2.5
97.10135	4.2
105.07017	36.7
107.08587	23.5
109.10150	35.4
111.11697	5.5
117.07017	6.6
117.96171	2.3
119.08572	17.8
121.10129	17.4
123.11674	10.1
131.08551	11.0
133.10112	13.6
135.11748	5.0
136.50020	2.6
145.10107	6.9
147.11674	10.6
149.13200	22.6
157.27751	2.4
159.11734	5.8
161.13249	14.9
163.14792	16.1
173.13214	6.6
175.14795	12.1
177.16380	5.0
187.14743	5.7
189.16402	6.6
201.16350	9.3
205.63562	3.3
215.17995	11.5
237.12047	2.9
271.06015	14.9
271.24167	100.0
277.08929	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
67.05476	45.0
69.07043	23.7
71.34240	10.1
71.94276	8.2
75.99319	9.3
79.05497	29.1
81.07033	74.5
81.54731	10.3
91.05473	17.0
93.07030	32.3
95.08589	48.9
105.07004	26.9
107.08578	37.8
109.10144	34.2
119.08566	28.9
121.10150	32.5
123.11684	20.0
133.10149	21.3
135.11673	37.4
138.33128	10.6
147.11670	19.9
149.13203	18.3
152.33246	10.6
154.07018	11.6
161.13220	43.7
175.14832	19.6
182.97626	12.3
246.52249	12.9
271.05890	21.6
271.24097	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05513	7.2
57.07056	13.2
58.97907	7.3
67.05502	19.2
69.07049	24.2
70.36583	6.5
73.54847	7.3
78.53677	6.9
81.07053	52.1
90.05566	18.3
91.05493	13.3
91.71091	7.2
93.07038	32.3
95.08595	44.4
105.07043	40.2
107.08601	26.5
109.10136	45.0
117.45165	7.5
119.08585	32.1
121.10181	23.9
123.11715	10.4
131.08478	10.8
133.10139	13.0
135.11716	8.4
136.89763	8.6
137.13211	13.5
147.11617	12.5
149.13240	26.3
153.01924	11.9
161.13264	11.1
175.14799	10.4
271.05896	71.9
271.24194	100.0
287.56265	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
54.39737	1.2
55.05488	5.2
56.12854	1.2
57.07060	3.3
62.90088	1.2
63.31193	1.3
67.05493	9.6
69.07061	13.7
70.33170	1.4
79.05475	5.8
81.06596	2.7
81.07046	36.0
81.41103	1.3
83.08604	5.1
91.05467	6.2
91.71699	2.6
93.07041	26.0
95.08046	2.3
95.08603	33.2
105.07021	32.7
107.08591	21.0
109.10148	25.3
111.11765	1.8
117.07066	1.5
118.22131	1.5
119.08578	12.5
121.10143	24.7
123.11694	9.7
125.13251	4.1
126.28399	1.4
131.08528	5.8
133.10126	9.1
135.11668	15.8
137.13260	13.9
145.10132	6.9
147.11676	5.9
149.13255	8.3
159.11662	4.4
161.13234	8.6
163.14754	3.2
173.13277	5.4
175.14772	8.1
177.16319	1.9
187.14763	7.3
189.16333	7.7
195.66647	1.6
201.16281	4.8
215.17929	10.9
229.19508	8.7
243.21173	2.8
265.23376	1.7
271.24185	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16774	16.1
55.05477	26.1
61.85541	18.9
69.07043	27.3
78.18186	15.9
81.07038	93.4
93.07051	25.4
95.08606	86.4
98.65084	19.8
105.07039	66.1
107.08570	47.6
109.10160	39.2
113.37013	21.2
121.10160	58.0
125.82387	24.4
127.76005	19.8
153.01909	28.7
179.76991	22.1
199.96985	21.4
220.52998	23.7
222.15285	23.1
227.73880	23.3
230.26593	22.9
242.05121	21.0
271.05948	82.6
271.24197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05506	5.7
57.07084	3.8
57.32762	2.6
58.99706	2.7
63.47445	2.6
63.88050	2.8
64.30950	2.7
66.30904	2.6
67.05499	23.2
69.07078	12.2
79.05491	9.7
80.69234	3.7
81.07047	63.6
81.07471	4.6
82.93447	3.1
83.08629	5.1
91.05501	13.7
93.07036	27.5
95.08605	53.5
97.10184	3.9
105.07028	42.2
107.08587	37.4
109.10152	27.9
111.11711	5.1
116.56787	3.6
119.08582	24.9
121.10132	16.5
123.11724	8.3
133.10133	37.5
135.11742	12.4
140.27441	3.0
145.10135	7.7
147.11679	16.4
149.13287	6.2
159.11720	6.0
161.13213	26.2
162.23953	3.0
163.14923	3.5
175.14821	25.9
182.80974	3.5
189.16370	100.0
201.16455	9.8
215.17975	6.3
222.72620	3.3
271.06149	4.5
271.24231	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05509	3.6
64.15101	1.1
67.05496	12.9
68.88926	1.5
69.07063	13.2
79.05482	7.7
81.07050	32.6
83.08620	3.6
91.05479	6.3
93.07040	26.4
95.08604	26.5
96.65586	1.6
104.29694	1.3
105.07024	23.3
107.08594	24.6
109.10151	20.4
111.11732	6.2
112.19199	1.3
117.07076	1.4
119.08577	12.8
121.10132	27.7
123.11705	11.2
125.13244	2.0
127.21287	1.4
131.08580	3.2
133.10126	9.7
135.11703	17.3
135.74918	1.5
137.13268	4.5
137.79924	1.5
145.10080	4.0
147.11678	7.6
149.13220	11.1
159.00751	1.4
159.11697	5.0
161.13264	15.0
163.14821	3.5
173.13278	5.0
175.14821	17.4
177.16322	2.6
187.14813	7.7
201.16414	6.2
215.17943	11.1
221.81789	1.6
228.18741	4.1
229.19496	12.2
252.34955	1.8
258.14243	1.6
271.24203	100.0
277.34097	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86069	3.7
70.06578	15.6
72.08146	44.9
86.09705	4.6
97.02892	5.2
120.08111	100.0
123.04449	4.5
174.09177	20.5
174.12758	6.2
177.85628	4.7
272.11298	6.8
272.17578	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20036	2.2
55.01857	4.4
64.89531	1.8
69.08367	2.1
72.08136	29.3
81.07500	2.2
86.75842	2.1
91.71047	5.1
120.08091	100.0
125.17334	2.6
174.09163	17.7
228.45320	2.6
272.17557	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
60.08157	1.6
61.24344	1.5
61.58825	1.5
65.03936	2.4
67.01852	2.2
68.99778	2.9
69.03428	2.0
70.20090	1.4
91.05460	10.9
95.04923	2.5
105.45962	1.9
107.04915	2.2
114.12791	12.3
119.04932	20.8
123.04475	3.2
147.04404	44.1
147.05524	3.5
149.53822	1.9
153.01822	100.0
163.11145	1.5
173.66928	1.7
273.07547	49.6
273.18588	2.5
273.21643	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.23899	1.7
55.05498	4.9
58.06577	4.4
59.04975	2.9
59.41299	2.0
60.08153	17.9
67.05497	6.2
69.07063	6.7
71.04980	3.2
72.79008	2.1
79.05511	2.4
81.07053	4.8
83.04947	3.3
85.06528	2.8
85.08920	3.1
86.09679	4.9
89.27239	2.0
89.85371	2.0
91.05493	6.8
93.07041	5.7
95.04961	20.0
95.08561	4.7
98.14435	2.7
105.07018	12.1
107.08593	10.1
109.06524	25.7
109.10168	7.5
109.74771	2.4
111.08053	3.4
114.12796	100.0
117.06968	2.6
119.08588	14.1
121.91307	2.4
123.08071	11.9
131.08618	8.0
133.10121	6.6
135.08051	4.6
137.09612	4.6
142.07819	3.3
143.08499	5.8
145.10120	20.6
147.11682	6.7
148.67557	2.4
151.11270	3.3
156.09319	3.6
157.10147	13.5
159.11713	9.9
161.09579	3.8
171.11610	11.6
173.09656	4.2
173.13229	14.2
175.11220	3.5
185.13275	6.7
187.11176	7.4
189.12782	7.5
192.81805	2.8
195.11662	3.2
197.13284	7.9
199.11211	4.9
211.11368	3.5
213.16432	5.4
215.14316	17.2
217.12309	5.9
225.12869	2.7
231.17564	7.7
255.17494	13.9
273.18515	35.3
273.21777	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.04751	1.0
50.33136	1.0
51.12885	0.8
54.73760	0.8
55.05505	2.3
56.96528	1.0
57.07054	1.3
58.06598	2.6
60.08151	3.4
65.03935	1.3
67.01846	3.2
67.05489	1.5
68.70363	1.0
68.99787	1.6
69.03414	3.6
69.07051	4.2
71.04979	1.2
73.71923	1.0
77.78613	0.8
79.05481	2.3
81.07046	2.9
81.42221	1.2
85.08885	1.7
86.09691	1.7
88.19621	1.0
91.05472	15.1
91.71088	1.2
93.07025	4.1
95.04957	4.8
95.08594	1.5
97.02845	1.4
105.07026	8.0
107.04927	2.5
107.08593	2.6
109.06493	5.3
109.10143	1.4
114.12798	40.9
117.07017	2.9
119.04941	20.1
119.08607	7.6
121.06486	1.2
121.10144	3.2
123.04421	4.3
129.06989	1.8
130.07741	1.1
131.08595	3.2
133.06462	3.2
133.10118	2.6
135.08067	2.5
141.06984	1.5
142.07790	3.2
143.08566	5.6
144.09364	1.1
145.10083	5.2
147.04401	43.6
147.11697	2.9
148.04715	1.5
149.09621	1.5
151.03925	1.2
153.01823	100.0
154.02179	1.9
155.08539	2.7
156.09351	5.0
157.10117	6.0
159.08011	1.3
159.11630	2.2
161.09563	1.3
167.08514	2.4
169.10153	4.3
170.10931	2.0
171.02863	2.8
171.11658	6.2
173.09610	3.8
173.13234	1.8
175.11159	3.1
181.10175	2.2
182.10921	1.5
183.11711	1.8
185.13211	2.4
189.05614	1.2
189.12721	5.0
192.12460	1.1
195.11600	1.3
196.12473	1.3
197.13252	7.9
199.11172	4.3
207.11873	1.3
211.14801	3.2
212.15625	3.2
213.12756	1.3
213.16313	5.8
215.14284	3.4
227.14369	1.7
229.15878	1.9
230.16801	1.5
231.17484	1.2
237.16330	1.4
240.15115	1.1
255.17390	12.3
257.78479	1.0
273.07541	52.5
273.18469	20.8
273.21677	8.2
274.07880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78469	1.8
55.05501	3.8
55.74435	1.7
58.00380	1.8
58.06578	4.9
60.08149	9.4
65.34412	2.0
69.07052	5.0
81.07032	3.8
85.08899	4.6
86.09707	3.6
91.05479	3.7
93.07088	2.1
95.08622	3.0
105.07031	7.2
107.08599	3.9
109.06551	2.7
114.12798	100.0
119.08558	6.8
119.97300	2.7
121.10082	3.6
129.06967	4.2
130.07912	3.1
133.10104	4.9
135.08093	3.8
136.17162	2.2
143.08595	5.7
145.10162	5.6
155.08563	4.1
156.09352	4.2
157.10172	8.7
169.10156	4.7
171.11624	7.0
174.10518	2.7
182.10794	3.8
183.11755	2.7
187.11211	3.2
189.12677	4.4
197.13284	7.8
199.11159	4.5
211.14798	7.8
212.15714	2.8
213.16402	5.4
215.72002	2.4
233.79861	2.3
255.17479	10.9
273.14670	2.8
273.18536	15.1
273.21753	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	7.5
55.05739	2.3
55.61700	2.2
57.07073	3.6
58.06575	7.7
59.07356	3.5
60.08155	95.8
60.08455	6.7
69.07034	9.7
72.08126	4.7
74.02428	14.9
75.65128	2.5
76.93289	2.0
83.04929	3.1
86.09688	38.7
112.07600	3.1
112.34242	2.7
120.08067	10.0
121.08438	11.4
130.08649	12.9
132.10147	7.5
156.24770	2.7
167.75925	2.5
168.13841	5.0
186.14946	2.8
273.18506	5.5
273.21680	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50903	1.6
55.05489	5.7
55.13110	1.8
57.07053	4.1
58.06582	9.7
58.73099	1.6
60.08156	91.8
60.66674	1.6
65.09134	2.2
69.07053	5.3
72.01875	1.7
74.02424	6.9
83.04953	4.4
86.09689	31.9
86.88573	2.0
103.87457	1.9
108.89169	1.8
111.84108	1.9
112.07570	5.4
130.08669	11.0
132.10187	7.4
186.14890	3.0
239.11549	2.4
273.21698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	3.7
58.42828	0.7
60.08159	4.5
63.70203	0.7
69.07064	4.1
70.06586	1.1
84.08136	1.4
85.08932	5.3
86.09693	2.9
90.68828	0.7
96.35439	0.8
114.12800	100.0
158.17488	0.9
225.83524	0.8
236.14574	0.8
273.21686	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17258	1.5
53.00287	1.5
55.05513	4.5
58.06573	4.5
60.08155	78.3
63.55671	1.4
64.65506	1.4
69.07058	17.6
70.06535	2.2
72.07751	2.0
72.08145	38.4
84.04475	2.6
85.13002	1.7
85.86024	1.9
86.09648	2.8
97.06542	2.0
98.06028	6.4
114.12775	6.2
116.07077	9.9
118.08655	6.7
120.08106	2.2
123.03398	2.4
127.43493	1.8
128.93694	1.8
134.80742	1.8
156.63545	2.0
157.69382	2.0
168.13770	2.0
175.13016	2.9
186.14870	2.7
273.21674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05511	12.1
57.07074	6.9
59.07990	2.2
60.08153	19.2
67.05495	35.7
69.07055	29.6
72.09485	2.4
72.51921	2.2
74.89414	2.1
79.05478	15.5
81.07045	83.9
81.95806	2.3
83.08648	7.6
86.09702	8.0
91.05487	9.4
93.07031	33.4
95.08596	100.0
97.10179	6.3
105.07024	22.8
107.08586	45.9
107.09255	2.7
107.42514	2.8
109.10150	52.4
109.10841	2.8
111.11804	3.1
114.12826	9.9
119.08579	12.3
120.35485	2.7
121.10151	27.3
123.11689	28.1
123.12442	2.3
130.08656	3.2
132.95302	2.3
133.10164	11.3
134.75639	2.7
135.11676	18.8
137.13313	5.8
147.11742	10.5
149.13246	35.2
161.13319	10.0
163.14783	38.6
175.14885	8.2
177.16451	11.5
189.16460	9.1
191.18056	3.0
203.18013	10.4
206.76912	2.7
217.19609	8.6
232.42180	2.8
273.21841	18.6
273.25732	58.2
273.28625	3.7
294.32748	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1549
Annotation	N-Desmethylzolmitriptan
Peak:m/z	Relative Intensity
56.96532	3.6
59.08016	3.2
65.47476	3.3
68.05006	3.1
69.07057	6.8
73.88151	3.1
80.03932	3.1
80.05032	5.9
81.04535	18.0
82.75057	3.1
83.55036	3.4
86.75562	3.6
88.46976	4.7
95.06086	16.3
114.12788	21.2
115.13132	9.1
134.10468	3.6
159.07918	8.5
160.08667	4.6
172.08727	7.1
173.09557	6.7
174.10255	5.7
176.67802	3.8
219.52664	4.4
226.55251	4.2
230.16614	13.2
274.15472	100.0
274.22107	4.5
274.27292	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2737
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.07069	9.3
61.22310	1.1
62.86207	1.1
66.76785	1.2
70.06580	17.0
71.08603	4.9
74.79436	1.4
78.21602	1.2
88.07627	22.4
100.00274	1.1
100.29443	1.3
102.09159	6.8
106.08665	10.1
109.14106	1.3
172.38277	1.3
213.98427	1.3
222.44608	1.4
240.55467	1.4
256.26361	6.5
274.27390	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26668	0.6
55.05501	2.5
56.05022	3.1
59.11100	0.6
71.26120	0.8
83.08609	3.5
84.04494	50.9
85.02906	1.4
96.04485	1.0
99.20258	0.8
100.11247	100.0
102.05499	1.0
130.05011	6.7
142.05029	1.4
146.11751	31.2
146.12936	1.8
184.13324	3.0
212.12759	9.4
213.36757	0.8
219.32870	0.8
235.70158	0.9
258.13339	6.6
275.15991	8.2
284.44009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21920	1.2
53.95394	1.1
55.05499	4.9
56.05018	4.4
58.06583	1.4
60.08144	2.0
63.63018	1.1
74.06065	2.6
82.92028	1.2
83.08607	9.5
83.46713	1.1
84.04497	51.8
86.09688	3.1
89.15500	1.2
96.94721	1.3
97.47379	1.4
98.06137	1.3
100.11250	100.0
102.05524	1.7
104.61798	1.2
106.84093	1.6
109.34930	1.1
111.43082	1.2
116.54857	1.4
130.04994	8.0
146.11754	33.9
184.13338	3.2
212.12862	5.4
218.44640	1.6
258.13385	6.1
275.16095	11.9
280.63077	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26844	2.0
54.29711	2.0
57.40706	2.2
58.06594	24.3
58.97417	2.0
59.07358	7.7
60.08155	39.3
82.47545	2.1
84.36369	2.4
85.02877	2.4
85.05258	2.5
86.09696	33.5
97.37971	2.3
100.07609	82.1
120.32149	2.4
170.11734	3.6
204.42389	2.8
211.95844	2.7
275.19623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07041	9.1
55.05496	23.6
56.96549	11.4
57.07061	36.8
58.73269	11.1
62.14035	8.8
62.63053	11.2
67.05502	20.4
69.07054	9.6
70.10902	11.1
71.04977	18.4
78.09016	11.2
79.05459	16.5
81.07043	17.7
83.04991	23.5
88.07626	18.0
91.05463	26.4
91.71627	13.2
93.07034	27.8
95.04960	12.5
95.08607	25.7
100.87727	11.9
105.07036	35.6
107.08600	20.9
109.06556	15.3
109.10139	16.3
111.08070	34.4
117.07034	14.0
119.08582	57.0
121.10142	37.2
131.08585	51.9
133.10121	35.0
135.08084	29.8
143.08536	21.9
145.10104	42.3
147.11681	23.5
155.17836	12.1
156.09346	14.6
157.10124	33.4
159.11687	47.0
173.13289	75.3
175.11165	16.5
187.14859	15.8
199.14903	28.4
213.63097	12.4
219.98119	14.0
257.19049	25.3
274.27365	31.1
275.16571	16.1
275.19922	18.8
275.27716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
54.17121	7.5
54.98431	7.4
55.05500	12.6
56.52053	7.6
57.07069	17.0
62.89062	7.8
67.05497	16.2
69.07053	18.7
70.06585	16.7
71.04986	28.8
79.05495	12.6
81.07054	26.6
83.04973	15.8
85.06538	17.6
88.07634	17.1
91.05479	35.0
91.71600	10.7
93.07041	55.8
95.04979	18.2
95.08598	44.1
100.22867	9.4
105.07033	46.0
106.08659	11.7
107.08597	47.4
108.24269	8.9
109.06522	34.2
109.10152	24.1
111.08089	55.8
115.05454	12.1
117.07042	30.0
119.08575	76.5
121.10165	49.0
126.74151	8.8
129.06998	13.1
131.08536	71.0
133.10085	46.8
135.08051	54.7
137.09621	26.9
142.07809	16.2
143.08629	23.9
145.10144	42.7
147.11705	11.4
149.09569	10.9
157.10078	55.8
158.10931	29.9
159.11679	73.8
169.10104	15.9
171.11670	28.8
173.13295	100.0
174.14012	15.7
175.11168	22.0
177.12744	21.4
183.11694	25.6
187.11108	11.6
187.14786	11.2
191.14383	23.5
197.13290	20.3
199.14844	33.3
201.12750	19.8
201.80626	10.5
215.17946	11.8
257.19034	30.1
274.27338	19.3
275.20166	31.3
275.27707	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.43088	5.7
52.25525	9.1
52.82083	6.5
55.05500	10.7
56.96553	14.9
57.07069	24.8
67.05494	17.7
69.07065	17.6
70.06573	19.6
71.04980	41.0
73.03396	7.2
79.05489	14.2
81.07048	21.4
83.04962	21.2
85.06535	21.5
87.21863	7.1
88.07622	23.3
91.05480	31.4
93.07030	32.4
94.42323	7.1
95.04930	16.6
95.08589	26.3
97.06560	9.4
102.09138	10.0
105.07026	46.4
107.08592	35.6
108.16393	8.2
109.06501	34.6
109.10144	17.0
111.08077	52.7
117.07039	16.9
119.08575	69.0
121.10149	47.3
123.11659	9.4
128.34373	9.3
129.07039	17.9
131.08572	50.3
133.10117	48.5
135.08034	44.3
135.11641	11.4
135.68875	8.8
137.05988	77.3
137.09628	14.6
142.07803	12.7
143.08575	30.6
145.10133	45.1
147.11684	15.5
149.13179	12.2
157.10100	48.4
158.10933	19.1
159.11662	74.8
169.10164	15.4
171.11607	14.3
173.13289	100.0
175.11160	16.7
177.12761	15.2
183.11696	26.3
187.11118	18.1
187.14885	12.0
199.14835	42.0
213.16470	12.8
239.18005	17.7
257.19037	37.9
274.27390	24.5
275.20099	36.3
275.27698	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
54.89075	4.3
55.05480	4.2
56.30079	3.7
63.40210	4.4
68.54580	4.2
69.07057	18.8
70.06552	4.6
74.16344	4.3
81.07059	5.2
91.05435	6.3
93.07056	11.9
95.08608	12.2
105.07016	6.2
107.08556	4.5
109.10159	4.6
111.08088	22.0
119.08585	10.1
121.10168	7.7
123.08064	20.5
135.08052	22.3
135.11685	4.9
145.10068	6.2
159.88181	4.7
171.11771	6.3
181.12274	17.1
191.14287	100.0
199.14798	7.4
201.14052	5.5
217.15933	5.7
275.20016	40.6
275.27679	11.9
288.42343	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05507	7.6
66.49483	3.9
67.05492	13.0
69.07044	14.7
71.04980	37.6
79.05518	6.2
81.07066	9.5
85.06522	10.6
91.05441	8.5
93.07034	9.9
95.04963	14.8
95.08608	38.8
97.06519	58.8
97.16756	4.0
99.04451	100.0
103.05502	4.6
105.06001	4.3
105.07020	23.1
107.08577	11.5
109.06536	7.5
109.10165	13.5
119.08589	34.5
121.10099	37.0
123.08094	5.0
123.11664	6.2
131.08537	6.7
133.10114	32.1
137.09610	11.1
145.10052	7.7
147.11678	49.4
154.26799	4.1
155.10658	72.7
157.10117	14.5
159.11641	10.5
183.11684	6.6
197.13280	5.9
199.14925	25.1
199.16507	4.6
217.93582	4.6
239.18016	16.9
257.19003	12.4
275.20007	21.5
288.87115	4.4
295.05899	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1078
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
51.68621	1.0
53.03920	1.2
55.01859	1.1
58.06578	2.5
59.00983	0.9
59.07345	1.3
60.04508	2.6
61.02907	1.2
68.05011	1.2
69.03411	4.9
69.69004	1.1
70.06588	2.1
72.04520	1.3
80.05008	1.5
81.03391	6.2
82.06528	1.1
84.04499	11.2
91.71702	2.2
96.04485	21.2
97.02876	4.9
98.06063	11.4
99.04446	2.0
106.37959	1.1
109.02863	6.2
126.05491	18.7
127.03902	2.2
130.04929	1.2
134.82945	1.1
138.05493	100.0
142.21727	1.2
144.06558	22.2
148.89265	1.1
154.87613	1.2
168.06555	13.1
186.07568	11.0
198.56998	1.4
225.76828	1.2
276.10803	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1188
Annotation	(5-L-Glutamyl)-L-glutamine
Peak:m/z	Relative Intensity
56.05023	2.7
61.62405	1.1
84.04494	100.0
85.02885	1.8
93.31197	1.7
100.15834	1.2
101.07134	7.6
102.05541	5.1
112.80009	1.3
116.22266	1.4
122.06011	2.3
127.02634	1.4
130.05000	75.7
147.07640	39.4
147.08736	3.1
149.07187	1.7
168.06621	4.5
196.06212	1.4
200.08601	2.7
241.08144	1.8
276.11908	2.8
278.75134	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01074	2.8
55.33054	3.3
56.96548	17.1
66.83969	3.1
70.72281	3.9
77.00885	12.2
79.09441	4.8
81.07089	4.7
91.71706	3.5
93.07018	8.1
100.02457	13.2
121.10143	9.0
123.04099	6.7
131.58083	3.8
137.33672	4.2
155.01607	4.3
166.23196	4.1
182.59404	4.4
189.04375	6.5
194.04904	9.0
205.97263	5.2
212.05960	5.4
235.04140	4.2
235.07622	9.4
235.11885	15.1
253.12778	24.7
258.13431	10.9
276.14423	100.0
294.15430	4.6
299.16129	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2685
Annotation	Alkaloid 275A
Peak:m/z	Relative Intensity
52.33413	1.6
52.60300	1.5
56.43356	1.5
90.67305	2.1
120.08108	20.9
121.08900	18.2
130.50952	1.6
134.09631	4.5
239.67421	2.0
276.26834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98835	14.2
52.63796	17.0
56.05045	17.1
63.12480	16.6
70.06581	39.1
84.04508	100.0
97.02921	23.4
101.05267	18.4
102.41132	19.7
103.09264	20.9
105.35377	20.7
121.50154	23.2
130.05022	59.1
171.52994	20.4
199.78793	21.0
277.03275	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94267	0.7
53.00315	1.2
59.91703	0.8
63.07951	0.9
68.75965	0.7
69.03419	100.0
85.17439	0.8
87.04459	66.1
91.26456	0.7
91.71739	1.8
98.68948	0.8
105.05508	15.2
105.06146	1.1
128.07076	6.1
131.06934	0.9
131.57245	0.8
155.07043	8.6
172.93176	0.8
173.08047	5.6
184.47186	0.8
191.09203	2.3
193.31631	0.9
213.95161	0.8
284.93799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05492	13.7
55.05712	2.2
57.07086	2.5
66.86517	2.9
67.05490	33.8
69.07059	17.2
70.56698	3.2
71.04962	3.6
79.05479	56.6
79.70630	2.7
81.07053	32.5
82.53654	2.7
83.08584	7.3
85.58176	2.6
91.05463	32.3
93.07034	100.0
95.04955	14.8
95.08594	24.4
101.37294	3.3
105.04513	3.5
105.07026	14.1
106.38494	3.5
107.08587	43.3
109.10152	12.7
117.07048	3.8
119.08562	6.3
121.10140	39.6
126.27459	3.4
131.08527	3.2
133.10127	11.3
135.11696	47.1
145.10158	4.1
147.11639	7.6
149.13246	12.9
159.11649	3.6
184.45267	3.1
199.14726	5.0
221.29181	3.6
235.16751	3.7
241.12865	3.6
259.20566	5.6
268.08710	3.2
277.21600	42.3
277.24292	5.7
282.62570	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	6.4
56.96541	3.1
57.07069	5.0
58.06592	13.2
60.04510	3.3
68.08154	1.7
71.08609	6.0
72.08125	3.3
74.06066	5.8
86.06037	8.0
88.07112	3.0
88.07623	45.5
104.07083	4.7
116.98669	2.0
132.10188	9.0
134.08136	2.3
149.02338	4.6
186.18532	46.0
230.21107	16.2
232.16878	13.0
278.23233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1589
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
51.82751	0.7
57.06801	1.3
57.07068	21.1
58.54013	0.8
60.97180	0.8
65.03934	2.4
66.68382	0.8
75.41089	1.0
93.03413	1.0
121.02842	5.3
149.02332	100.0
190.04979	2.5
199.06354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
56.96554	4.7
57.07067	14.7
63.92100	1.1
65.03930	3.6
65.92160	1.3
70.06574	1.9
81.03394	1.6
84.04500	2.6
86.09698	100.0
91.05417	1.4
93.07037	2.6
96.18898	1.4
98.97567	3.9
103.05421	3.7
108.04462	2.6
116.98627	2.6
120.08099	86.9
121.02881	5.6
124.08729	3.3
127.33341	1.5
131.54080	1.4
132.10246	1.8
132.45697	1.3
146.52943	1.3
149.02332	86.3
156.01050	2.7
166.08636	6.5
181.02875	1.9
190.04984	5.8
200.02319	3.1
204.04478	3.3
212.95142	1.8
219.05827	3.0
232.80258	2.0
238.07486	4.1
279.09155	8.0
279.17084	6.8
288.87485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66145	1.0
57.07045	1.9
61.65350	1.1
62.25890	1.2
63.88815	1.0
67.05450	1.6
69.07039	1.6
79.05484	16.2
91.05456	2.7
95.04962	8.6
103.05452	13.1
104.99271	3.1
105.07025	100.0
107.08620	4.7
118.06520	2.0
133.06488	56.2
135.08046	89.2
149.02310	7.8
151.07532	18.6
197.09964	1.4
231.27652	1.5
242.61215	1.5
279.17780	4.6
280.62704	1.4
281.75308	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.8
55.60688	1.3
56.96552	1.6
57.07070	18.6
65.03930	2.7
69.07076	2.0
73.50582	1.5
85.06540	6.0
86.09690	2.1
87.04464	15.1
89.06027	28.9
91.71724	3.3
97.46497	1.7
98.97601	4.3
116.98640	2.8
121.02872	5.9
126.09155	2.5
129.09132	6.8
130.08673	4.8
132.29533	1.7
133.08620	13.5
140.00171	2.0
146.99564	2.0
149.02332	100.0
158.01256	2.4
190.04985	6.5
198.49498	1.9
200.02339	2.7
219.05785	3.2
279.09421	3.1
279.18082	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
57.07055	15.7
59.03706	4.8
65.03922	5.7
67.05170	8.4
67.05496	100.0
70.02791	5.4
72.53750	4.2
78.33546	4.7
79.05454	8.4
81.07044	96.7
91.05476	5.0
95.08593	64.2
101.49525	5.2
104.99265	14.9
107.08625	6.4
109.10136	35.7
121.10101	8.7
123.11695	20.2
149.02322	69.8
209.96432	5.8
237.97789	6.5
254.07603	5.6
279.09402	14.0
279.23096	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05499	5.7
57.07064	3.8
65.03927	3.7
67.05496	100.0
69.07055	6.4
74.42733	1.1
79.05489	9.6
79.91392	1.2
81.07049	95.1
83.08634	2.8
85.06525	1.8
91.05447	3.2
92.61859	1.2
93.07047	10.2
94.52538	1.2
95.04956	1.3
95.08599	65.5
97.06499	1.4
97.10182	2.5
99.98727	1.3
99.99865	1.5
105.07042	2.2
107.08591	8.0
109.10155	20.3
119.08562	1.7
121.02867	1.3
121.10152	5.0
123.11706	12.0
131.08571	5.0
133.10130	2.1
135.11705	4.2
137.09575	1.2
137.13277	6.2
145.10120	3.1
147.11713	2.6
149.02390	8.5
149.13240	3.1
151.14796	2.8
162.95422	1.6
173.13284	4.1
187.14838	1.9
195.13791	1.9
223.16956	1.7
243.20984	1.7
261.22388	1.5
279.23160	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05485	8.0
56.96550	8.4
57.07066	22.5
61.64052	4.2
67.05497	62.8
69.07055	10.5
69.61635	5.8
70.31432	4.0
75.00555	4.1
79.05476	8.0
79.81203	4.5
81.07049	68.6
86.09714	7.0
91.05468	5.1
91.33566	4.2
93.07047	14.9
95.08602	48.6
98.97565	4.4
107.08578	4.2
109.10149	20.0
121.02885	6.8
121.10154	6.0
123.11706	14.2
135.08086	5.0
137.13280	7.0
149.02342	100.0
155.43423	4.5
190.04977	5.0
200.02348	6.2
219.05685	5.1
240.10074	6.6
279.09369	10.0
279.23318	16.6
293.40887	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.12849	1.6
55.05499	6.2
56.79150	1.6
57.07057	7.6
65.03933	2.9
67.05495	100.0
69.07050	8.4
69.07381	1.6
79.05487	8.4
81.07047	96.8
81.59467	1.8
83.08620	6.4
91.05466	3.9
93.07021	11.8
95.08595	74.9
95.57167	2.2
97.06501	2.0
97.34400	1.8
107.08574	6.3
109.10153	23.4
121.10148	7.3
123.11716	9.3
131.08592	3.6
133.10126	3.8
135.11679	5.8
137.13242	8.8
149.02332	39.5
149.13199	2.8
173.13295	4.8
177.12766	2.9
183.27188	2.2
190.04990	3.4
195.13872	2.9
200.02289	2.6
209.15366	2.7
219.05656	3.9
243.21098	2.4
261.22171	3.2
279.09427	4.3
279.23178	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96238	2.4
55.05496	5.8
57.07060	3.8
58.99582	5.4
61.01145	4.0
61.31638	2.7
67.05499	6.4
73.02910	6.0
74.00655	47.7
79.21156	3.2
84.04504	5.2
84.93854	3.0
85.01111	5.2
88.04009	7.5
93.07030	8.0
95.08604	36.3
96.50701	2.9
99.02641	3.3
104.13234	3.0
111.04772	3.5
120.01165	100.0
123.08080	3.8
149.02330	9.6
150.02690	13.4
162.05521	9.5
166.32820	3.5
201.61575	3.5
216.10532	9.8
231.24356	4.5
239.97748	3.9
244.10007	15.0
262.10959	9.9
263.09473	7.8
280.12247	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85766	49.9
56.03812	41.1
64.15724	42.8
67.05487	85.4
69.07037	53.9
78.90375	45.2
85.52385	50.5
85.63347	44.4
91.05482	82.7
93.07037	55.9
95.08612	100.0
105.07047	75.4
106.92786	50.8
107.04929	68.1
107.08582	74.7
109.06487	65.8
135.08054	52.8
146.23180	59.6
147.08098	60.4
161.09618	65.5
173.20544	61.3
179.10651	82.6
207.10078	85.5
225.01982	52.9
281.17227	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	27.3
55.35364	23.3
57.03414	29.2
65.03902	24.0
67.05495	100.0
69.07043	24.6
79.05485	90.9
81.07044	92.9
83.04968	62.6
91.05476	94.2
93.07037	61.8
95.04955	65.6
95.08614	41.4
105.07024	45.8
111.42809	26.9
123.43797	26.7
147.11711	71.2
154.96912	28.4
231.80138	31.0
264.16650	29.4
267.24741	31.3
268.24951	27.2
268.95694	28.2
269.56845	29.5
281.13577	65.7
281.17532	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Pestalotheol C
Peak:m/z	Relative Intensity
54.25636	13.0
55.05500	46.9
57.03426	33.8
65.03921	17.6
67.05493	100.0
79.05487	71.9
80.52596	13.3
81.07034	59.3
83.04964	35.3
91.05465	58.9
93.07018	74.4
95.04990	27.0
95.08583	24.7
105.07011	31.9
107.08569	29.4
112.80041	15.1
117.06960	18.6
119.08586	25.0
129.07024	16.3
139.68689	13.9
141.78531	14.0
147.11729	28.5
207.13780	18.9
281.17270	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	32.1
56.96554	39.9
59.57076	26.0
67.05497	54.0
69.62508	29.9
79.05481	38.3
81.03393	50.2
81.07041	40.4
93.07015	63.6
93.18227	30.8
95.08607	44.6
102.24458	30.2
105.07062	36.9
107.08620	48.7
122.32890	31.2
125.18945	29.3
135.11555	35.0
145.10170	35.8
163.11223	37.4
196.76875	31.0
227.12717	49.1
242.03461	43.1
283.09454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32065	6.0
58.32262	5.8
58.43723	6.3
59.62278	6.1
66.81162	5.2
67.98568	5.5
69.81875	5.2
70.84657	5.2
91.71017	13.5
121.12622	6.3
127.44227	7.9
152.03215	62.5
154.08380	55.9
165.41200	6.8
170.04221	14.1
238.10527	12.7
265.11624	29.0
283.12607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
55.05518	11.9
56.96559	11.0
61.01157	7.9
61.95566	9.2
67.05510	21.7
69.03448	10.6
69.07076	24.8
71.04988	18.0
79.05498	14.4
81.07039	51.8
83.04992	11.8
91.05515	20.3
93.07081	45.9
95.04975	16.4
95.08617	29.2
97.06531	12.5
105.07030	85.3
107.08634	38.7
109.10188	28.2
112.54020	9.8
119.08601	47.7
121.10136	100.0
123.08097	14.4
130.07793	16.7
131.08641	35.0
133.10165	34.7
135.08102	10.6
135.11710	16.2
143.08606	12.8
145.10168	42.8
157.10194	19.3
158.08714	9.6
161.09665	17.9
173.13307	43.1
210.39650	12.4
265.19757	15.1
278.40146	10.9
283.20615	60.3
292.96570	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
50.00574	3.1
53.00299	3.5
55.05503	8.9
56.96539	4.3
57.07077	3.5
64.87157	3.8
67.05493	28.5
69.03412	12.6
69.07059	14.9
71.04977	23.8
76.10647	4.1
79.05487	30.1
79.60812	4.0
79.83259	3.4
81.07043	58.5
83.04939	4.9
91.05479	39.4
93.07037	47.8
94.26329	3.6
95.04976	25.3
95.08584	23.8
97.06546	8.1
98.97610	5.0
103.05466	5.2
105.07024	88.2
105.67239	3.9
107.08579	45.0
109.06516	17.3
109.10149	29.7
111.08104	3.9
115.05447	7.6
117.07005	13.8
119.08571	61.4
121.06504	12.0
121.10130	100.0
123.08061	11.7
123.11681	4.7
128.06258	5.8
129.06999	13.5
130.07834	8.6
131.08566	47.8
133.10103	47.3
135.08098	11.8
135.11691	11.7
141.07024	4.3
142.07747	7.2
143.08568	31.8
144.09306	5.4
145.10120	64.5
146.49887	4.6
147.11700	6.9
149.09689	5.8
156.09299	5.9
157.10104	29.2
158.10892	12.4
159.11670	17.6
161.09615	28.4
161.13300	7.5
163.11188	6.1
169.10120	8.9
170.10913	4.8
171.11693	12.9
173.13246	67.8
175.11166	5.4
175.14804	7.4
179.08644	9.4
181.10011	6.3
185.13335	9.6
187.14836	6.4
195.11734	9.5
197.13242	8.6
199.14876	7.0
209.13388	12.2
213.16457	7.3
215.89133	4.4
223.14752	10.4
227.14337	9.5
235.03723	4.4
247.32680	4.6
252.80115	4.3
255.21109	5.5
265.19562	17.0
276.30893	4.6
283.20496	85.8
302.94485	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62683	2.3
67.05499	2.9
70.06588	6.4
72.08154	36.0
74.00690	2.5
84.04509	3.8
85.02921	3.9
85.56821	2.5
90.63487	2.7
92.55338	2.5
111.09177	3.4
114.27454	2.8
125.12399	2.6
126.10278	100.0
126.11153	5.3
127.03995	2.6
130.06540	33.7
132.51797	2.8
150.28062	2.8
154.09731	13.4
193.58507	2.7
198.34346	2.9
224.17596	32.0
299.94211	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34246	0.6
69.03410	3.8
70.06590	2.9
72.08154	2.0
81.03408	1.0
84.08125	1.1
85.02898	5.1
87.04461	100.0
97.02896	1.6
99.04496	0.7
105.04784	1.7
105.05499	35.4
108.29215	1.0
121.06517	1.6
128.04576	0.9
128.07068	2.0
136.06297	1.2
152.05669	44.5
153.04057	4.1
224.17648	1.4
240.16797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2945
Annotation	Stearamide
Peak:m/z	Relative Intensity
57.07058	9.7
60.18871	3.0
75.00308	3.4
102.09176	6.6
111.63847	4.0
114.33084	3.5
116.10760	6.5
284.29480	100.0
284.32794	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2944
Annotation	Stearamide
Peak:m/z	Relative Intensity
56.71667	3.3
57.07080	7.0
64.78683	2.6
64.97285	2.7
70.05239	2.8
71.08643	4.4
72.04514	5.8
86.45037	2.9
115.75814	3.1
116.10767	5.0
128.46814	3.5
132.97766	3.3
157.23293	3.4
241.45636	3.9
283.90247	4.1
284.29456	100.0
294.17932	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.3308
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
51.82424	1.2
53.05576	1.5
56.96544	1.4
57.07047	6.9
58.06575	3.7
60.08153	32.1
61.38820	1.6
61.53442	1.6
61.60337	1.8
64.01996	1.7
79.06811	1.5
95.74179	1.9
211.70464	1.8
284.33081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.17
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	23.0
60.08145	70.0
65.67597	23.1
72.96140	18.3
117.23970	20.7
125.51883	21.0
171.01404	65.7
178.03482	34.5
194.03004	67.9
284.32843	100.0
285.33514	48.9
296.66064	30.8
303.17822	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1912
Annotation	Mepyramine
Peak:m/z	Relative Intensity
55.68279	3.0
69.03423	58.4
72.08147	25.3
87.82689	2.8
120.08102	100.0
137.49959	3.5
181.16640	4.4
188.10677	25.1
191.78368	3.3
205.38939	4.2
286.19113	48.9
291.27451	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	3.5
56.96552	2.8
58.06604	21.0
59.07367	5.4
60.07866	5.3
60.08159	100.0
61.01162	4.4
69.03395	2.7
69.07063	29.1
70.06582	27.8
73.90627	3.0
86.09698	30.3
93.89378	2.7
95.04961	3.7
97.06522	6.9
104.05341	5.1
120.08192	4.0
123.04459	10.2
166.66658	3.3
173.09219	8.9
182.15359	5.0
207.84834	3.2
209.30885	3.1
241.22821	9.7
286.19482	54.2
286.24658	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	3.5
56.96552	2.8
58.06604	21.0
59.07367	5.4
60.07866	5.3
60.08159	100.0
61.01162	4.4
69.03395	2.7
69.07063	29.1
70.06582	27.8
73.90627	3.0
86.09698	30.3
93.89378	2.7
95.04961	3.7
97.06522	6.9
104.05341	5.1
120.08192	4.0
123.04459	10.2
166.66658	3.3
173.09219	8.9
182.15359	5.0
207.84834	3.2
209.30885	3.1
241.22821	9.7
286.19482	54.2
286.24658	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
50.32035	1.2
53.00261	1.3
57.06851	1.4
57.07067	14.7
58.06593	2.8
60.06174	1.2
60.08158	8.6
60.50175	1.2
62.06081	10.0
65.81428	1.5
66.75736	1.2
69.07042	3.4
71.08624	8.0
85.10165	1.9
86.09719	3.1
117.02055	1.4
143.63835	1.5
156.17496	2.1
161.81741	1.6
174.18587	6.7
191.01329	1.6
212.23747	6.8
230.24747	30.6
239.69643	1.7
286.31012	100.0
287.23227	6.7
287.31329	2.1
300.61951	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
57.07078	7.3
58.06576	2.1
60.08146	4.7
63.76014	1.4
70.06565	2.0
70.75050	1.2
71.08611	2.7
72.08147	35.5
85.10182	1.5
86.09673	3.1
88.07618	1.5
90.09187	26.1
117.57687	1.6
125.00089	1.8
129.88847	1.5
129.94937	1.3
129.97505	1.2
146.68948	1.4
240.09982	3.0
245.83864	1.6
286.31021	100.0
287.23309	2.6
287.31097	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
60.08153	10.1
68.99770	3.6
69.07032	2.0
86.09711	3.1
86.39809	2.0
88.03934	2.2
89.03899	2.9
91.71672	1.9
105.03374	3.2
107.04931	2.4
121.71937	1.7
129.07011	1.8
135.04414	2.6
144.25363	2.5
149.02367	6.5
153.01823	31.8
157.06406	2.2
161.02330	4.6
163.03906	2.3
175.03990	2.4
185.06013	3.1
203.06956	2.5
213.05438	7.0
216.04187	3.5
217.05150	3.3
229.38922	2.2
231.06454	9.2
241.04883	17.1
251.03416	1.8
256.81433	1.9
259.06009	4.8
269.04529	4.8
278.09741	1.9
287.05478	100.0
287.23364	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
60.08143	2.7
65.55489	1.4
66.16602	1.7
67.01838	1.5
68.08685	1.5
68.99787	2.9
70.17577	1.4
76.19449	1.4
89.03893	1.9
102.54403	1.4
128.64066	1.9
135.04411	3.7
141.32986	1.5
153.01822	11.7
184.45569	1.7
184.60500	1.5
188.53374	2.2
231.06340	1.8
260.05389	1.8
287.05481	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	4.3
57.07049	3.5
58.06588	7.2
60.08157	99.1
69.07057	31.4
74.02425	6.1
86.09703	40.9
87.09728	3.4
95.08629	3.6
97.06540	5.1
109.27874	3.3
111.23232	3.3
112.51297	2.7
125.27769	3.0
130.08693	3.6
132.10216	13.1
175.81444	3.4
194.12543	3.5
200.27635	3.5
287.23257	100.0
287.26486	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	6.5
60.08158	100.0
60.28750	2.0
69.06795	2.2
69.07066	23.8
74.02418	10.9
75.00108	2.3
76.02361	2.1
80.13775	2.7
80.70233	2.0
86.09179	3.3
86.09700	52.9
94.90801	1.9
112.07622	2.7
113.66501	2.0
127.17030	2.1
130.08601	12.4
132.10217	10.0
140.14069	2.2
182.15475	3.0
193.32930	2.2
196.48399	2.6
287.23288	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55319	0.6
50.68147	0.7
51.46487	0.8
53.00289	0.7
58.06596	6.3
59.07377	0.8
60.08157	100.0
69.07060	24.4
71.08613	1.2
74.02428	8.1
83.04967	1.0
86.09699	35.4
88.03973	1.3
97.06506	1.6
110.75845	0.7
112.07593	1.7
130.08623	6.4
132.10190	9.0
182.15353	2.1
195.53714	0.9
200.16512	1.1
204.04561	1.0
241.22688	0.9
242.75681	0.8
273.27484	1.0
287.23264	65.0
288.23453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57455	2.1
58.06573	6.9
60.00577	2.0
60.08156	100.0
61.42404	2.2
69.07063	24.0
74.02415	9.7
86.09698	40.6
130.08589	6.2
132.10179	7.7
219.48410	3.4
229.82854	2.9
287.23254	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85880	1.9
54.80991	2.0
56.95598	1.9
60.07871	5.4
60.08155	100.0
62.23431	2.2
69.07066	17.5
72.73185	2.1
74.02421	7.2
80.72515	2.6
86.09696	31.6
91.42689	2.2
112.07622	2.8
121.40900	2.5
130.08629	5.2
131.55650	2.2
132.10188	5.5
184.78944	3.1
269.68390	2.6
271.28668	3.1
280.18188	2.8
287.23267	88.3
288.87219	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79969	1.2
57.07023	1.2
58.06573	4.6
60.08154	100.0
69.06731	1.9
69.07048	20.1
69.20592	1.3
74.02406	5.6
85.02904	2.2
86.09700	37.9
110.62823	1.5
112.07626	1.7
130.08621	5.8
132.10213	9.9
179.34747	1.6
200.16434	2.1
204.04530	1.7
234.99677	1.6
236.87686	1.8
238.47125	1.6
250.17589	1.7
253.58199	1.6
287.23254	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2365
Annotation	Neocrotocembranal
Peak:m/z	Relative Intensity
55.05492	5.1
56.45258	3.8
57.07059	9.6
60.08153	90.9
67.05486	11.7
69.07051	27.5
71.08629	8.2
79.05484	4.7
81.07043	10.4
84.25244	4.1
86.09699	33.0
91.05463	14.5
91.70983	5.8
93.06985	4.9
95.08599	7.9
105.07014	22.8
117.07040	11.4
119.08592	7.3
121.35925	5.5
129.06981	5.7
130.08653	7.7
131.08571	21.0
132.10214	9.7
133.10124	6.8
143.08626	6.5
145.10132	8.9
157.30399	6.0
171.11644	11.2
256.74988	6.6
269.22601	19.9
287.23444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
50.41033	2.7
51.19929	3.0
52.58739	3.4
55.05511	3.6
60.08152	18.1
64.09689	3.2
67.05488	14.9
69.07059	12.3
79.05486	5.8
81.07041	24.9
86.09712	5.9
86.56122	3.3
91.05496	6.2
92.61173	3.6
93.07037	17.1
95.08600	27.8
103.77129	3.3
105.07044	17.4
107.08573	19.5
109.10152	30.7
119.08592	11.6
121.10215	7.9
123.11729	5.0
125.09589	5.6
131.08601	13.4
133.10143	12.0
135.11688	11.2
143.08604	6.7
145.10175	16.2
147.11732	7.8
149.13217	5.7
157.10185	7.5
159.11723	11.3
161.13246	12.1
161.61693	4.0
171.11725	7.5
173.13338	5.4
175.14879	12.0
187.14864	5.2
189.16328	3.7
199.14818	6.8
201.16447	8.2
203.17900	6.1
213.16495	4.7
215.18008	4.8
229.19684	6.6
241.19600	7.4
269.22586	37.4
275.00864	4.7
287.23608	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	27.1
56.96556	30.9
57.07050	13.8
60.08156	100.0
62.75425	11.2
64.00210	9.1
64.97256	12.5
66.00163	10.8
67.05495	30.0
69.07063	28.7
72.10934	10.9
81.07043	40.9
86.09699	35.0
91.05470	16.5
91.71624	18.1
91.98248	11.7
93.07053	19.6
95.08585	37.6
103.16593	13.9
105.07040	20.3
107.08598	27.2
108.08916	16.4
109.10104	21.9
111.08086	63.2
119.08576	28.4
133.31239	13.4
149.13281	12.5
171.33798	12.5
229.19490	26.4
230.19807	15.6
247.07895	16.3
269.22699	22.0
270.09854	17.0
287.23444	74.9
288.10873	57.8
288.23688	73.7
306.11697	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86066	4.3
56.96567	10.4
57.86114	5.1
58.06616	5.9
60.08157	57.1
62.07626	4.5
69.07081	16.4
72.55083	5.2
86.09721	17.7
109.25297	5.8
114.12808	7.7
122.87215	6.1
153.04036	7.6
171.05141	6.7
183.05202	6.2
194.06781	7.7
209.06638	8.3
216.08698	6.7
224.05956	9.2
234.09811	8.8
244.11967	11.7
247.08189	19.2
265.09329	20.1
270.09717	35.7
280.20255	7.6
283.10153	8.4
287.23453	23.9
288.10822	100.0
288.23465	14.8
293.11353	8.9
306.12094	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1916
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
52.98131	0.5
58.06594	4.3
69.07057	3.4
70.06567	1.3
84.08130	1.5
85.08923	3.8
86.09686	1.1
91.71693	0.6
111.66427	0.6
114.12796	100.0
128.96350	0.6
134.76270	0.6
150.92430	0.6
288.19150	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30293	2.6
55.05514	7.5
56.58736	3.2
56.96576	4.5
58.06590	4.4
69.07046	3.3
70.06600	13.6
72.08143	53.4
73.06251	3.6
84.04516	4.4
84.08144	5.1
86.09719	6.4
86.93192	3.5
99.09245	7.7
107.04979	10.5
114.12806	31.9
121.06539	14.3
127.03927	6.8
131.25581	3.4
133.05666	3.9
133.06485	21.1
134.06013	6.6
138.10263	20.8
167.87923	3.9
168.99916	4.2
171.14975	7.0
180.99617	4.6
190.12250	88.6
190.13831	6.6
198.01973	5.2
199.14413	4.3
199.50156	3.5
226.80464	5.1
288.20697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04956	2.4
55.05500	5.2
56.96545	3.2
58.06575	6.0
60.08170	5.7
64.63080	2.8
67.86341	3.3
69.07060	4.0
70.06577	17.0
72.08150	63.0
84.04465	4.0
84.08137	5.9
86.09694	9.9
99.09201	5.6
105.51434	3.2
107.04972	10.0
111.04491	3.1
114.12792	90.2
121.06517	14.2
121.99516	3.7
124.11227	4.3
127.03934	6.3
133.06499	22.9
134.05969	9.0
136.96214	3.9
138.10249	21.2
171.14932	13.7
190.12262	84.2
199.14467	6.4
199.80147	3.5
209.05997	5.1
266.84250	3.4
288.20721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
51.27175	1.3
51.66192	0.9
58.35454	1.0
67.01839	3.2
68.99781	2.9
69.03410	1.8
77.92041	0.9
79.05489	1.7
89.03901	8.7
97.02904	1.6
107.03380	1.5
107.04967	4.0
110.72404	1.1
111.00771	3.0
111.04469	2.7
117.03360	8.8
123.04443	5.3
135.04399	17.2
139.03958	1.5
145.02850	8.2
146.98058	1.3
153.01819	100.0
158.06006	1.2
159.04399	1.3
163.03885	57.8
171.02936	3.9
176.76553	1.4
179.03375	4.2
186.05492	4.1
187.04077	1.3
200.03098	1.2
227.46341	1.3
271.05966	1.2
289.07019	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2521
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
54.43462	2.8
55.05491	8.8
56.05029	3.0
57.03419	4.8
57.07053	4.3
58.84165	2.8
59.86055	3.0
67.05501	26.2
67.49074	2.8
69.07048	14.2
71.73611	3.0
74.34369	3.0
74.72911	3.3
77.84077	2.7
79.05473	9.4
81.06596	6.5
81.07041	75.1
81.58279	3.2
83.08603	5.7
85.06566	3.9
88.07620	10.2
91.05471	13.0
93.07034	37.3
95.08598	87.8
105.07029	27.8
107.08582	31.2
109.10147	56.7
110.36708	3.1
119.08604	23.5
121.10182	23.6
123.11693	14.1
131.08595	6.2
133.10124	11.1
135.11681	23.5
137.13258	13.4
145.10126	4.3
147.11723	11.7
149.13232	21.1
159.11671	7.1
161.13231	23.1
163.14862	10.6
173.13118	4.9
175.14835	28.7
187.14825	7.1
189.16531	4.4
201.16426	12.5
203.14546	3.5
215.15887	3.4
215.17917	12.9
240.07674	3.6
242.24843	6.5
271.24173	100.0
289.25244	37.9
289.28610	8.5
290.26718	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.57123	4.2
50.98827	4.2
51.39483	3.7
53.27458	4.1
55.05499	7.7
56.96566	6.1
57.14767	5.8
60.43112	4.5
65.03993	4.4
67.05492	25.3
69.07063	19.2
79.05476	10.6
81.07047	62.2
83.08625	6.7
85.06529	9.4
90.20050	5.4
91.05465	10.7
93.07032	34.6
95.08601	100.0
98.97592	17.7
105.07027	29.4
107.08592	27.7
109.10145	44.8
113.64547	5.0
116.98614	9.8
117.59075	5.0
119.08588	22.0
121.10129	23.8
123.11697	12.8
127.03880	6.8
127.57692	5.3
133.10149	18.7
134.99692	7.2
135.11714	21.0
135.68394	6.8
137.13229	27.9
140.00179	12.7
145.10081	12.0
147.11674	15.8
149.13252	18.6
157.59631	5.8
158.01251	9.2
159.11725	9.4
161.13274	12.9
173.13330	6.9
175.14862	21.3
200.02264	7.7
201.16342	8.4
203.18106	6.0
214.03827	9.5
215.18002	10.8
233.18935	8.3
238.18155	7.0
244.99458	6.5
271.24274	60.7
280.27066	6.4
289.25244	21.0
309.14230	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63337	1.8
53.91686	1.9
56.05036	14.5
57.07057	12.1
58.06575	7.3
60.04503	3.9
64.63864	2.3
64.68680	2.6
71.08606	6.3
74.06059	16.2
77.14459	2.3
82.57393	2.3
86.66022	2.3
88.07099	4.3
88.07618	59.7
104.32034	2.6
106.29856	2.3
112.37199	2.5
118.08655	8.9
122.08125	9.7
126.88689	2.4
133.08574	2.5
163.78697	2.7
204.20219	2.7
218.31245	2.8
224.02072	3.1
238.40768	2.9
242.24791	41.0
272.25946	3.5
290.26862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78206	2.1
56.62682	1.8
56.96544	2.0
57.07059	10.4
63.55289	1.7
63.81276	1.6
69.46416	1.7
70.06580	26.9
71.08603	4.3
78.65813	1.9
78.79902	2.1
81.07027	2.3
83.70992	1.9
88.07632	22.9
91.71031	1.8
106.08653	3.1
114.09170	5.6
118.08611	3.1
123.08095	2.2
132.10188	25.6
141.83337	2.0
150.11256	23.6
151.07535	3.1
153.33122	2.3
163.29726	2.4
215.08487	2.6
232.59634	2.2
246.24278	7.0
287.22638	2.7
290.26852	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37746	1.8
57.07063	12.7
58.06570	4.7
70.06581	24.4
71.08616	4.4
87.28434	2.1
88.07616	31.9
91.83621	2.0
101.40700	1.9
102.09167	23.1
111.27479	2.2
121.23910	1.8
221.78622	2.3
223.79593	2.3
228.04295	2.7
228.23190	51.5
272.25882	3.0
290.26840	100.0
290.30093	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46042	2.4
53.58683	2.2
55.47181	2.2
60.05640	18.0
61.01122	2.5
65.76226	2.7
70.06583	100.0
71.04977	18.6
72.08144	7.5
74.02458	3.7
91.71020	2.9
95.06107	9.1
98.06052	3.6
110.02438	4.7
112.08749	11.3
115.08705	11.7
116.07100	17.5
118.01628	3.3
130.09752	6.4
134.04494	4.3
156.79828	3.1
158.09236	7.9
168.06537	3.9
175.11903	46.9
193.03992	3.3
196.06007	5.0
202.32539	3.6
211.76883	3.6
232.08060	6.3
256.09369	4.7
291.12933	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17241	0.7
53.00286	1.3
54.85393	0.7
55.05478	0.7
57.06797	1.1
57.07066	14.6
58.06591	4.2
58.07386	3.6
59.05001	1.0
60.04498	0.9
64.21906	0.9
64.36868	1.0
67.05473	1.1
69.07043	0.8
70.06580	38.1
70.82574	0.9
71.06908	7.9
71.08597	2.6
71.80800	0.8
72.08138	1.2
72.69238	0.8
74.06076	0.9
81.07016	2.9
85.10149	2.0
88.07619	48.6
89.07937	8.5
91.05467	1.5
93.07031	1.9
95.04958	1.9
95.08563	2.2
102.09171	25.5
103.08913	0.9
103.09485	6.0
105.07043	1.8
109.06467	1.6
111.08076	4.5
121.10111	1.8
123.08047	9.8
124.35036	0.9
131.08519	1.1
132.10228	1.6
133.10182	1.1
135.11658	1.2
145.10083	1.4
146.11742	1.0
149.09613	1.2
151.06386	1.9
151.07535	24.0
171.11627	1.2
179.10680	1.7
184.20650	1.4
189.12672	4.8
197.11711	3.4
207.13786	11.7
215.84538	0.9
228.23212	37.7
229.23546	45.9
272.25958	1.5
273.26117	3.1
288.62766	1.1
290.26855	59.0
291.19873	7.2
291.27197	100.0
299.21994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05508	3.8
57.07058	8.4
59.04986	3.1
67.05488	4.6
69.07054	3.0
70.06575	8.6
71.04990	1.8
71.06877	2.1
71.08598	1.8
79.05473	4.9
81.07040	8.4
83.04998	2.7
83.08622	3.2
85.06551	2.0
88.07646	9.6
91.05479	6.0
93.07029	14.8
95.04958	5.2
95.08603	14.7
97.06542	2.8
105.07021	8.8
107.04951	4.9
107.08591	7.0
109.06501	6.9
109.10148	4.1
111.08073	45.2
111.74576	1.8
114.09157	2.7
114.90386	1.7
119.08584	7.1
121.06498	2.2
121.10131	7.0
122.07326	2.1
123.08054	36.8
130.07791	2.3
131.08568	3.7
132.10201	9.9
133.06454	3.9
133.10173	5.9
135.08057	9.0
135.11656	2.5
137.09628	2.5
145.10109	4.2
145.54086	1.9
147.11658	5.4
149.09657	4.2
150.11244	7.7
151.07533	100.0
151.11594	2.2
156.09308	2.0
157.10121	4.4
161.09630	3.6
163.11111	3.1
173.13303	3.9
179.10706	3.4
181.02689	2.0
181.12242	2.1
189.12727	24.4
191.14232	2.4
192.11456	4.0
197.11644	13.1
207.13786	57.9
215.14328	2.8
217.12199	3.0
233.15405	7.9
241.02942	2.1
256.13702	2.0
290.26862	20.7
291.19507	32.5
291.27176	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05513	14.1
63.06270	4.7
63.47101	4.9
67.05503	6.0
69.62291	4.7
79.05502	12.4
81.07093	6.3
81.90659	5.0
83.08611	6.6
93.07072	20.8
95.04960	13.1
95.08628	17.8
105.07084	10.8
107.04964	14.8
109.06553	8.3
111.08079	39.7
119.08602	11.2
121.10172	10.5
123.08080	41.0
126.89915	5.5
131.08551	5.9
133.06528	6.5
133.10178	13.0
138.24957	4.9
144.16847	6.1
145.10146	8.6
147.42152	5.2
149.09618	10.6
151.07527	100.0
151.08606	8.4
157.10144	6.8
163.11253	6.1
173.13280	7.7
175.11185	6.8
186.10844	5.9
189.12805	22.5
191.14363	14.9
192.11531	7.2
195.08893	5.1
197.11723	11.8
197.13423	6.8
207.13756	48.3
215.14444	6.3
233.15335	45.5
273.18610	10.2
291.19537	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	20.1
58.03788	4.7
67.05482	12.8
69.03404	8.3
71.04948	5.3
79.05499	14.5
81.07037	16.7
83.08577	15.5
90.84005	5.6
93.07042	8.2
95.08592	31.2
96.25194	6.6
97.06517	10.6
97.43954	5.4
104.46789	6.5
105.07043	14.5
107.04951	27.9
107.08616	15.1
109.10162	15.2
111.08087	6.6
119.08557	18.2
120.02884	6.0
121.10150	10.9
123.08094	11.1
125.09561	6.7
130.51494	5.8
131.08571	8.2
140.62627	5.9
145.10065	10.9
147.11707	7.2
151.07500	9.2
157.10223	7.1
159.93983	5.8
173.13266	9.6
191.14375	34.4
195.88190	6.5
199.46304	6.6
211.13228	7.2
233.15353	100.0
233.17520	8.5
291.19617	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
67.05489	17.0
71.04975	12.2
79.05473	14.1
81.07052	26.7
91.05460	25.8
93.07056	24.3
95.04969	17.5
95.08612	17.8
97.06565	9.5
99.04435	20.9
101.32755	10.5
105.07026	27.1
107.08585	29.2
109.06509	47.1
109.10160	22.3
111.08070	16.2
118.13705	10.1
119.08587	15.5
121.10137	100.0
123.08097	17.5
131.08556	11.1
135.08038	16.9
136.96432	12.2
145.10129	38.0
151.07526	61.1
153.09131	37.3
173.09625	16.9
189.12755	24.8
207.13782	16.8
215.14328	37.2
233.15376	49.7
255.17430	17.7
273.18387	31.0
276.84647	13.6
291.19571	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.07725	3.2
55.05508	4.8
57.07060	6.5
59.04996	6.1
60.62370	3.5
67.05497	9.7
67.13036	4.1
69.03401	4.5
79.05489	7.3
81.07059	9.6
81.55827	3.8
83.05018	6.1
91.05454	12.9
93.07032	21.3
95.04937	7.1
95.08594	16.7
97.06505	5.9
105.07053	23.9
107.05003	4.4
107.08604	18.3
109.06523	24.2
109.10163	10.5
111.08091	37.8
116.21404	4.1
117.07050	5.0
119.08595	18.8
121.06528	6.9
121.10110	12.6
123.08063	37.8
125.62058	4.7
125.75406	4.7
126.21928	4.4
130.53140	4.6
131.08566	12.3
133.10123	9.5
133.46361	4.5
135.07133	7.1
135.08037	41.4
137.09662	10.1
143.08537	5.4
145.10155	22.0
147.11717	13.6
147.95464	4.7
149.09647	5.0
151.07529	100.0
157.10118	10.4
159.11716	6.0
163.11166	9.0
173.13264	8.0
175.11195	9.0
179.10689	7.5
189.12708	30.6
193.15906	4.7
197.11703	11.5
197.13327	8.0
207.13814	56.6
215.14230	6.2
221.11464	6.4
231.17355	9.4
233.15446	10.3
255.17253	5.9
273.18542	14.9
291.19534	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.34169	8.2
57.07072	11.1
60.48916	9.0
65.17399	9.5
69.07059	9.7
81.07026	13.6
83.08565	11.6
91.05471	10.3
93.07040	16.0
95.05005	11.9
95.08612	24.8
105.07018	14.9
109.06531	23.6
111.04478	10.5
111.08092	34.9
113.09528	10.9
119.08570	21.2
123.08086	53.0
140.48442	10.6
145.10143	11.8
151.07529	100.0
189.12735	25.8
207.13788	60.8
233.15265	17.0
233.28662	10.9
250.17725	11.0
282.49170	10.7
291.19653	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.05503	20.2
55.85939	12.0
67.05489	12.2
69.03419	12.6
70.93237	11.2
71.63181	9.5
73.27458	11.8
74.29079	10.2
76.20150	10.3
79.05490	25.5
81.07063	22.9
83.08601	15.4
90.30775	11.1
92.42998	10.6
93.07030	19.8
95.08627	32.2
105.07070	23.7
107.04977	29.9
107.08636	35.4
109.10180	18.0
111.08107	40.4
119.08620	32.1
121.10214	26.3
123.08098	46.6
131.08614	19.8
133.10172	25.2
135.08119	14.1
151.07552	100.0
157.10197	14.1
158.63713	12.3
165.60628	13.7
189.12810	26.4
191.14368	19.9
207.13896	49.2
233.15399	67.7
273.18497	13.0
291.19647	53.5
301.29736	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	13.5
56.96552	93.3
63.76760	12.6
64.18572	13.5
67.05484	23.1
67.40508	12.9
68.93733	13.4
69.07047	16.2
70.25015	12.8
73.21419	13.6
74.47350	12.6
79.05457	16.7
81.07041	19.6
89.79289	17.2
93.07031	44.9
95.08626	22.2
105.07068	19.4
107.08601	27.3
109.06483	39.4
111.08108	15.5
120.73027	16.9
121.10154	58.8
123.08068	54.5
128.70657	15.0
149.09651	27.5
151.07594	79.2
167.10672	100.0
172.47723	15.5
207.13683	38.7
246.44283	19.6
273.09808	26.3
286.97607	16.9
291.11121	39.1
291.19543	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01689	1.7
57.07071	42.0
74.06088	4.1
85.43632	2.2
107.03407	2.2
107.04954	63.1
125.12228	2.3
133.07329	2.3
163.11198	8.3
180.10194	100.0
209.78265	2.3
236.16452	65.2
292.22693	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01277	12.2
52.58638	12.3
57.96314	12.6
67.98513	13.2
73.92979	15.7
74.59411	12.1
74.69096	12.5
85.02890	34.1
106.01231	14.2
118.08643	41.0
127.03915	17.8
135.80014	15.2
143.01907	23.2
161.03026	17.2
161.99455	41.6
184.04605	23.4
233.70299	22.3
257.48969	20.1
293.06244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78559	4.6
62.14724	4.8
71.59624	4.5
84.04495	6.0
86.09696	100.0
91.71034	6.2
96.44857	5.8
97.38034	5.2
112.52676	7.3
117.02078	6.5
120.08092	95.5
153.30319	6.5
172.04709	6.4
180.10175	59.5
208.78944	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.79208	7.3
55.05492	8.9
61.00807	7.6
67.05489	9.2
69.07059	9.1
81.07030	43.8
83.04981	10.0
91.05455	9.8
93.07030	27.3
95.08604	43.5
105.07027	17.9
107.08602	12.4
109.10200	12.6
113.09633	28.0
119.08581	12.9
121.10140	21.2
129.23676	10.1
133.10162	14.9
135.08023	20.6
145.10152	13.8
149.09554	14.4
159.11714	18.3
199.14989	9.9
219.13855	25.3
237.14883	49.7
275.20056	40.1
293.21103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.05488	28.1
62.77952	17.9
63.87035	18.2
67.05489	62.1
79.05462	37.6
81.07045	63.8
91.05492	23.8
93.07027	27.6
95.04935	19.6
95.08603	46.3
97.06536	21.4
107.08573	24.1
108.52035	23.0
118.88445	18.8
119.08596	38.5
238.27655	20.2
275.20004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
54.67785	9.5
55.05499	13.8
56.96553	10.9
57.07072	81.0
63.50533	10.5
66.58739	10.1
67.05492	14.4
68.39555	9.3
69.07050	12.5
79.05473	14.4
81.07053	20.1
83.04975	12.2
91.71044	23.5
95.04960	23.7
97.02885	10.9
102.22561	10.2
107.04913	11.5
109.02901	14.8
111.04460	35.8
114.62757	10.0
121.66709	11.4
148.00342	14.1
153.05467	20.1
181.04973	35.3
191.10768	22.8
209.11757	50.5
215.05135	11.5
237.11198	100.0
293.21164	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.66540	6.8
53.03932	27.8
55.01857	17.4
55.05495	18.3
57.07050	10.4
62.47013	8.5
63.23116	8.2
64.75809	9.7
67.05490	56.2
69.07049	30.6
74.17205	8.8
77.64768	9.6
79.05473	46.2
81.03386	54.0
81.07032	87.5
83.01194	9.6
88.62714	10.6
91.05469	69.4
93.07011	49.4
95.01339	14.7
95.04939	30.9
95.08596	49.3
97.06557	19.9
105.07014	100.0
107.04940	27.1
107.08591	21.7
109.06534	13.4
109.10141	11.2
113.46771	11.4
114.06461	11.1
117.07025	23.8
119.08590	47.5
123.08046	12.4
125.09650	11.5
131.08594	27.4
133.10107	55.7
137.62999	9.6
145.10085	25.6
147.11685	23.8
152.59569	11.2
159.11674	20.6
169.84760	9.9
179.14325	17.2
237.11148	11.9
250.98367	13.3
275.20090	43.2
276.89200	11.8
289.27753	12.3
289.36591	11.1
293.21091	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.11627	8.2
55.05507	13.8
56.96547	8.3
63.51668	7.9
64.23833	7.5
66.35706	8.6
67.05501	14.3
69.07038	16.3
71.04977	45.5
71.84027	8.5
79.05462	11.1
79.25122	10.2
81.03418	9.6
81.07050	41.5
85.06535	29.3
86.88201	9.4
86.96223	10.4
91.05489	11.9
93.07037	19.4
95.04939	25.0
95.08606	59.1
97.06523	63.5
99.04455	100.0
105.07023	51.5
107.08595	15.5
109.06523	48.6
109.10170	15.1
111.08008	12.1
119.08563	40.7
121.10153	57.2
123.08056	15.4
123.11735	20.2
128.69843	8.4
131.47334	9.2
133.10130	27.0
135.07979	13.1
137.09657	20.5
143.08542	13.6
145.10104	12.2
147.11688	92.6
152.74724	8.1
155.10677	29.4
157.10120	19.1
159.11691	20.7
165.12798	24.3
175.14841	17.9
183.11653	12.9
199.14777	46.5
201.12654	10.9
251.61334	11.9
257.18829	14.4
275.20108	18.3
293.21234	32.9
297.35342	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.05504	34.1
57.03442	12.8
59.04527	11.8
67.05489	67.8
69.07046	29.2
79.05486	46.9
81.07056	100.0
83.08629	22.5
91.05478	54.6
91.80451	13.9
93.07040	37.3
95.04957	21.9
95.08598	40.2
105.07041	49.5
107.08646	37.5
109.06516	28.0
109.10145	29.7
119.08594	39.1
133.10126	26.4
137.06044	39.0
147.11639	22.7
159.11728	17.1
241.35388	22.7
275.20169	45.0
293.20892	38.5
309.70200	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.23635	3.7
55.05500	10.0
57.07066	15.3
58.10300	3.5
59.38238	3.6
62.45992	3.5
67.05497	9.1
67.31928	3.6
67.51947	3.2
69.07059	5.5
79.05486	5.2
81.07043	10.0
83.08623	4.6
85.46033	3.5
95.04964	11.3
95.08582	8.0
107.04964	5.2
109.71146	3.7
121.06486	7.0
121.10142	5.8
147.11691	4.3
176.25095	4.1
191.10603	5.6
208.16664	3.8
209.11652	9.7
209.60123	4.4
237.11229	20.2
239.20062	4.3
266.68277	4.8
293.21094	100.0
296.89658	4.3
299.11725	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.05512	35.1
56.96548	28.2
57.90707	18.3
67.05496	66.7
69.07067	47.5
73.36148	20.1
81.07046	79.6
83.24752	19.4
86.09671	26.5
91.05495	38.1
93.07052	36.1
95.04967	29.1
95.08601	49.0
105.07028	57.8
107.08586	36.8
109.06474	21.9
111.01556	19.6
133.10114	50.2
174.42058	25.0
188.67303	21.6
225.67641	25.7
275.19940	100.0
293.21033	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.17863	22.7
55.05505	27.6
56.96555	24.4
60.51667	25.6
67.05489	54.9
69.07054	50.1
69.18003	21.9
81.07053	76.7
95.08586	47.0
96.45294	23.4
98.74418	30.6
105.07012	36.1
107.08587	29.0
131.08571	33.5
133.21925	23.7
146.97957	31.7
185.20914	30.2
196.24876	27.1
223.08360	30.2
275.20145	33.0
293.21173	100.0
306.76447	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30848	0.7
63.69389	0.8
64.49988	0.7
65.03947	1.8
84.04529	1.6
91.05470	11.4
119.04929	28.3
130.05043	1.8
132.18556	0.9
144.94557	0.8
147.04407	100.0
150.07755	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33268	15.5
50.61222	13.7
55.13073	15.7
55.79775	14.5
69.03436	22.8
81.07100	45.6
91.05488	44.5
91.71313	42.1
93.07047	44.2
98.97604	37.5
105.07072	26.8
107.08633	19.2
118.06642	20.1
118.96502	23.1
119.08554	100.0
140.00232	23.6
173.57401	20.0
220.09755	24.8
225.51357	25.4
228.15921	22.3
253.08717	47.8
283.90738	24.7
294.13449	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2064
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.06408	0.2
56.96566	0.3
57.07062	0.3
65.03906	0.2
66.04707	0.6
67.05479	0.6
69.07054	0.2
71.08607	0.4
79.05486	0.6
81.07050	2.4
83.38605	0.2
91.05470	0.5
92.45056	0.3
94.04176	3.9
95.04994	0.3
98.98503	0.2
100.07610	0.2
107.04984	0.6
122.03645	7.6
123.11694	1.5
137.05972	100.0
138.06299	0.4
158.15421	1.1
170.15366	1.9
178.01756	0.2
262.45395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61395	0.5
55.71087	0.6
57.07057	1.1
58.81176	0.5
59.48110	0.6
60.83965	0.5
66.04707	0.7
70.45173	0.6
71.08605	1.7
80.60821	0.6
84.79562	0.8
91.54733	0.7
94.04205	1.9
114.58495	0.8
122.03629	8.7
137.05971	100.0
141.12697	1.5
215.80266	1.0
285.33521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	4.0
57.09216	2.4
62.08538	2.5
63.91534	2.7
69.03445	2.9
70.06596	7.5
72.08147	38.9
77.35390	2.7
84.04495	3.7
86.09698	100.0
86.10195	5.5
111.04435	28.1
118.49681	3.7
196.13437	8.1
294.21747	65.5
294.24838	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69201	14.5
55.05513	78.0
57.07080	33.0
58.02962	60.2
62.67786	17.7
66.77287	13.7
67.05513	45.0
69.07059	100.0
81.07065	78.9
83.08636	58.3
89.57806	17.2
91.05544	20.4
95.08630	60.4
97.10205	17.1
100.07656	27.3
109.10209	39.2
114.09209	24.7
115.97327	17.3
128.10736	33.8
133.10101	23.0
237.65489	17.6
249.53957	18.3
289.37885	23.2
294.27991	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40848	3.9
70.06573	8.3
99.26891	4.2
104.10747	9.4
196.15347	5.3
221.03604	4.9
229.79572	5.2
235.04451	9.8
253.05510	100.0
259.04541	6.0
295.06519	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1287
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
51.01288	0.8
56.05035	2.0
58.64877	0.8
61.85379	0.9
73.21299	1.0
75.45374	1.0
84.04497	40.1
91.05502	1.3
93.07100	1.2
95.79739	1.0
103.05455	5.5
107.04951	2.0
120.08097	100.0
130.05048	4.4
131.05016	3.1
140.01938	1.0
166.08620	33.2
166.09947	1.9
186.09099	6.7
197.08839	1.2
232.09743	4.3
251.38188	1.1
268.88510	1.2
269.82254	1.2
278.10312	3.5
295.13055	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1285
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
56.05022	7.5
59.09153	3.9
81.10565	4.3
84.04498	67.9
86.09691	13.5
102.05525	6.1
112.66460	4.0
114.84795	3.9
120.08092	100.0
147.04494	4.9
155.57149	5.2
166.08615	31.5
231.11264	27.7
277.11929	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
57.56424	2.5
60.62465	2.1
61.05900	2.2
66.88960	2.2
67.05482	12.1
68.01665	2.1
69.03421	100.0
69.07050	5.0
71.04966	3.4
73.23686	2.6
79.05492	5.6
81.03446	3.6
81.07033	6.2
83.04984	3.2
84.04489	3.3
85.02901	4.9
91.05456	5.7
93.07033	15.6
95.04946	3.3
95.08585	3.5
97.06513	13.2
107.08569	2.4
109.10128	5.0
111.08066	2.7
113.06002	6.0
119.08549	3.4
120.08068	2.8
121.10149	6.8
123.08061	3.4
136.38139	2.3
137.09647	6.5
137.31805	2.1
139.11183	7.4
143.83495	3.0
149.09666	3.6
167.10585	4.3
168.63010	2.5
252.23480	3.0
295.15375	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67928	6.4
53.29439	6.8
56.45777	7.3
69.07052	16.6
72.59555	8.8
75.99750	8.1
79.05468	19.7
81.58917	9.1
91.05462	16.0
93.89811	8.0
103.05465	13.0
105.07026	71.6
133.06525	60.4
134.07288	21.1
135.08031	100.0
140.10399	9.9
151.07578	23.4
155.62477	9.8
156.89262	8.9
165.03659	44.5
179.05222	13.4
222.34433	9.7
242.12720	10.0
259.98639	9.6
277.16125	20.8
295.17358	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76276	9.7
54.16385	10.1
57.07051	13.5
63.69983	10.1
69.07062	27.8
71.08622	13.7
79.05474	21.0
95.04971	12.3
96.19825	11.5
105.07034	86.6
106.07802	11.8
107.08576	18.1
107.48911	12.0
133.06523	48.6
134.07251	39.4
135.08038	100.0
138.30782	12.1
156.88933	13.1
165.03709	42.3
181.48724	14.9
198.00279	13.1
220.21762	14.4
257.55371	15.6
277.16177	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84107	10.0
66.32882	11.6
68.68513	11.8
69.07053	20.9
78.10735	12.7
79.05470	25.8
81.07076	19.0
95.04916	17.0
105.07023	87.9
106.64413	12.3
111.20146	13.9
133.06506	32.1
134.07275	29.8
135.08037	100.0
147.47978	14.4
155.61494	14.0
165.03694	37.7
167.05298	14.3
175.59451	13.7
177.08824	14.6
184.16576	13.6
193.34035	13.2
295.17386	18.4
295.69083	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97445	3.5
54.52855	3.7
57.07068	6.6
57.62002	4.2
58.99564	3.9
69.05592	3.8
69.07042	15.3
77.13309	4.0
79.05484	19.3
91.05475	14.4
95.04963	8.1
101.56841	4.6
103.05463	14.0
104.65334	4.4
105.06326	5.8
105.07025	87.8
106.07824	9.9
112.93202	4.3
132.84514	5.2
133.06480	57.5
134.07272	29.9
135.08054	100.0
137.04245	6.2
148.20087	4.7
151.07552	18.5
165.03687	45.6
167.05292	7.8
179.05312	18.4
235.53395	5.0
277.16229	21.5
295.17337	14.0
301.69998	5.4
303.63144	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1901
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
50.45214	2.0
51.90952	2.5
55.01861	8.1
67.05483	7.3
69.07047	5.5
70.04185	2.5
79.05499	6.3
81.07059	36.9
83.08585	2.6
91.05462	5.1
95.08607	4.7
107.08591	3.9
109.06519	11.6
109.10133	4.3
111.04458	12.8
119.08608	5.1
125.06000	3.7
133.10135	4.0
137.05975	100.0
151.07549	3.8
161.09593	5.4
175.11176	4.9
188.01608	3.3
203.17984	5.5
229.09833	3.6
231.17641	3.8
249.18520	8.6
277.17978	26.6
295.18994	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98684	13.5
57.07061	60.2
59.41000	12.7
63.21713	13.1
67.05490	19.4
69.07066	46.7
72.20294	14.2
80.65942	16.1
85.02898	61.4
85.10880	17.7
86.79236	14.4
91.05490	27.7
92.62423	14.3
93.07014	32.2
95.26331	15.0
98.30885	19.7
105.07013	37.3
107.08631	19.0
119.08595	48.2
123.08107	15.4
124.13772	15.2
127.55997	19.5
133.10139	100.0
147.11717	73.4
175.11226	17.2
193.12248	32.2
203.10678	22.0
207.10176	20.5
209.11813	68.3
217.60942	17.0
221.11623	32.8
251.41725	18.6
277.17984	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1904
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.16299	3.4
55.01873	13.1
55.05504	7.5
63.78549	3.6
67.05515	7.9
69.07067	14.3
73.66676	3.8
79.05536	4.4
81.07059	36.3
83.08631	3.9
89.11594	3.9
91.05521	6.4
93.07083	8.9
95.08599	7.1
105.07065	7.6
107.08674	5.3
109.06567	15.1
111.04478	13.7
117.04312	4.1
119.08588	5.4
125.05991	5.7
133.10167	4.6
135.11713	7.5
137.05969	100.0
137.06912	5.3
144.90625	4.1
147.11742	5.0
153.12781	5.4
155.44106	4.2
155.48203	4.2
175.11139	7.7
231.17458	8.1
249.18617	9.8
263.20822	4.9
264.46005	4.8
273.42517	4.9
277.17899	29.2
277.21649	4.3
295.19119	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42278	60.5
58.18283	73.9
60.48630	76.7
60.49817	63.2
67.05474	59.6
91.71118	72.8
95.08558	95.8
127.43769	88.7
170.17960	83.8
197.66771	85.5
206.75882	81.2
216.53583	100.0
234.63464	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70971	4.9
60.08139	9.3
102.79962	5.7
118.61574	6.2
118.62437	5.2
129.82053	5.1
140.44295	5.3
164.06815	19.9
208.13078	9.0
236.12596	7.4
295.19876	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	Pseudopyronine B
Peak:m/z	Relative Intensity
51.78744	13.8
53.00269	16.7
55.01862	21.2
55.05493	46.4
57.07054	21.0
59.75943	13.6
67.05489	59.5
69.07050	20.5
69.24023	13.8
79.05474	25.3
81.03398	26.8
81.07050	75.9
83.04964	21.5
85.10165	97.6
91.05489	45.7
93.07024	36.1
95.04967	35.0
95.08585	38.7
97.10226	16.3
107.04945	33.0
112.08844	15.3
113.09665	100.0
121.10142	17.6
141.97256	15.5
143.08443	17.4
165.12753	75.6
266.15094	24.9
277.21729	68.5
295.22726	98.0
313.95020	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.25969	29.1
50.69809	21.6
55.01859	96.4
55.05494	31.4
55.84277	25.6
61.38181	24.2
64.24524	28.9
67.05482	70.7
69.07061	36.2
71.08603	34.2
79.05472	52.8
81.03382	36.8
81.07056	83.9
83.08596	50.0
85.10190	33.0
91.05478	47.1
93.07054	50.4
95.08574	67.5
97.06491	30.1
99.08054	31.2
110.84715	28.3
111.08076	99.7
142.60550	26.9
165.12694	37.8
232.88608	31.0
243.23743	33.8
277.21576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
54.32587	18.5
55.05504	49.3
57.07060	45.3
60.35899	23.0
60.41708	19.9
67.05493	100.0
68.75605	20.8
69.07056	48.3
71.08615	80.2
79.05464	37.9
79.23852	21.2
81.07046	76.2
83.04942	32.9
91.05454	27.6
93.07037	62.6
95.08609	53.3
99.74688	23.7
105.06956	32.6
107.08584	27.2
109.10180	35.6
119.08524	30.6
135.11635	25.5
137.09656	28.5
178.36772	30.6
179.14345	61.6
249.72168	26.3
277.21686	55.2
297.71603	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
50.23249	9.1
50.87865	8.0
54.50685	8.3
55.05518	40.5
57.07079	32.4
67.05511	41.8
69.07067	24.2
75.35791	10.0
79.05515	33.0
81.03422	29.7
81.07063	57.9
83.05004	17.7
83.08640	20.5
85.10181	24.4
90.93454	9.6
91.05492	28.3
93.07058	36.5
95.04955	25.8
95.08605	26.0
97.10204	14.6
105.07050	13.9
107.08624	25.8
109.06576	12.3
109.10167	13.1
113.09623	19.0
133.55696	11.0
144.45378	11.1
149.10834	10.3
150.38602	9.9
151.11215	13.5
165.12807	40.1
169.32030	11.9
174.97168	11.4
195.94814	12.4
198.84320	10.6
277.21683	56.1
295.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	68.4
55.05503	54.3
57.07095	42.1
61.73979	37.5
67.05484	99.2
67.78266	43.7
68.75771	42.4
69.42188	45.1
81.07046	100.0
82.68050	56.5
90.43749	42.4
91.05470	48.7
93.07050	71.9
95.08583	62.4
112.52558	50.4
119.79102	56.6
135.80315	40.9
161.98148	52.2
251.54324	54.2
277.21222	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	4.0
71.07367	4.2
86.09699	26.8
86.57497	2.8
91.71729	6.7
91.99946	3.4
98.98997	2.9
104.10737	100.0
108.32512	3.0
118.89584	3.0
121.64787	3.0
163.20285	3.4
236.99239	24.2
296.06537	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1604
Annotation	Butralin
Peak:m/z	Relative Intensity
53.55238	1.5
62.61033	1.6
67.05482	1.3
69.03395	2.7
71.04993	2.3
78.67191	1.6
80.11606	1.8
98.17209	1.6
147.07901	6.5
161.09666	1.8
162.10257	74.3
174.10217	2.0
178.65239	1.8
211.63693	1.9
296.16025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10573	6.9
57.07042	6.5
60.81881	7.8
61.12934	7.4
61.58726	6.8
67.05501	8.1
69.07038	9.8
72.04507	98.0
72.94762	7.1
89.56524	8.4
91.71645	16.7
92.15327	8.0
136.06038	9.6
216.51790	8.9
269.23474	9.4
296.29495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	4.0
69.07044	3.2
70.06577	0.9
72.08121	0.8
84.08111	1.8
85.08910	3.4
86.09685	1.4
90.18594	0.5
114.12796	100.0
115.13067	0.7
116.37117	0.6
193.18417	0.7
208.56007	0.7
297.19092	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	9.3
57.07070	8.9
59.21972	9.5
67.05487	21.4
67.07760	9.0
67.61301	8.3
69.07040	17.1
74.60095	8.8
79.05465	14.1
81.07027	30.8
83.08525	10.4
83.36739	8.7
84.99473	9.2
85.06519	17.8
91.05455	21.6
93.07029	15.8
95.08592	40.4
98.97546	23.2
103.07523	10.3
105.07020	40.9
106.04943	9.1
107.08594	22.4
109.10141	15.9
116.98567	11.6
119.08574	35.5
121.10162	17.7
131.08592	18.7
133.10161	21.8
140.00188	17.1
143.08554	20.9
145.10114	22.3
157.10056	11.6
158.01271	25.3
159.11653	22.3
181.02831	14.9
181.09985	12.9
183.11736	17.1
193.10165	21.4
195.11659	15.4
197.13213	14.8
209.13313	15.0
211.14862	14.0
223.14925	13.9
237.16553	12.7
251.17998	12.9
297.22098	100.0
297.99194	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52122	1.1
65.67893	1.0
66.49228	1.2
70.06590	12.5
71.06110	2.6
71.08616	2.0
72.08147	19.9
73.04527	1.2
74.35061	1.1
81.04524	1.7
83.28210	1.2
97.06534	2.3
98.09687	2.8
112.11217	7.8
114.56706	1.4
119.27903	1.2
122.07165	1.6
123.07923	4.2
124.08682	2.1
125.10765	1.4
140.10794	3.1
140.11806	17.9
146.64319	1.4
167.66393	1.4
168.11311	100.0
210.19646	9.5
213.64021	1.4
235.09904	1.6
238.19118	36.1
238.21318	3.0
238.34685	1.4
265.58081	1.6
297.13843	1.5
297.26468	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	18.8
79.53968	6.5
81.61855	7.5
91.71093	10.7
93.56281	7.6
98.97573	100.0
109.70350	7.2
116.98620	49.4
134.99651	23.6
139.99306	8.8
140.00177	50.4
150.02309	7.6
151.89806	7.8
158.01274	32.0
179.86438	10.9
181.02876	18.3
246.80225	8.5
256.96521	15.9
274.97565	36.2
275.54642	9.3
292.98663	24.2
297.99011	51.0
299.40085	8.4
316.00015	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
50.02375	1.2
53.68596	1.0
56.52472	1.2
58.90460	1.0
60.47970	1.1
61.01132	5.3
67.41379	1.3
75.02682	1.7
79.85205	1.3
97.02890	2.3
119.03494	1.4
136.06175	100.0
298.09714	4.7
304.42725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	24.4
56.96546	5.9
61.01139	12.6
69.03411	8.8
69.07040	12.6
70.06569	9.0
72.08147	78.8
73.06561	6.1
83.12374	4.5
84.04488	4.8
85.02890	11.2
86.09685	15.0
97.06522	76.7
98.97578	4.7
101.06001	16.0
102.03768	13.8
104.05337	30.6
110.09696	4.2
116.49438	5.2
116.98624	5.9
119.07076	4.8
127.03764	4.7
128.46448	4.5
130.87772	4.0
130.93842	4.6
135.09184	16.4
136.06187	20.5
152.11838	12.7
180.11285	5.5
200.11044	9.5
203.18005	6.0
224.59833	5.0
228.11711	8.5
241.22824	5.5
250.19101	8.4
270.42270	5.3
298.19437	100.0
315.99814	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18427	2.3
53.37123	2.3
56.42339	2.5
57.07067	9.8
60.08158	22.5
66.41149	2.6
71.08612	3.8
88.22443	2.9
91.36234	3.4
97.33479	3.0
99.91814	2.9
182.13426	3.3
298.23016	3.2
298.31000	100.0
298.34158	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3101
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
56.78555	3.7
57.07068	8.5
65.71893	4.0
67.53806	3.5
91.70945	9.2
95.57829	4.3
96.68226	5.0
116.10748	5.7
138.65292	5.1
141.04642	4.7
298.31027	100.0
303.23154	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52191	1.2
69.03425	9.6
70.06578	2.6
73.99728	1.6
76.60054	1.6
86.06059	19.7
87.04458	64.5
97.35033	1.8
100.07597	7.9
104.07095	100.0
114.09169	3.1
196.06358	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78044	2.8
62.97335	3.4
65.81282	3.2
67.05515	4.9
69.07050	3.3
72.86790	3.6
79.05469	3.7
81.07044	7.6
82.06567	4.1
88.67220	4.1
91.05497	4.8
92.05005	8.6
95.08592	4.8
105.07018	4.7
107.07332	15.0
108.08115	23.6
110.09679	6.8
120.04446	35.4
122.06089	5.1
122.09689	10.8
129.07054	4.9
134.05957	4.6
138.05528	7.5
138.09131	8.5
150.09129	100.0
150.10260	7.2
153.77457	4.5
162.05481	89.1
229.13599	7.8
257.12750	10.5
264.76392	4.9
299.13864	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.0
56.96546	7.2
57.07055	7.7
62.09538	5.4
63.76933	5.2
67.05482	8.4
67.64404	4.7
69.07038	8.6
73.65729	4.2
77.54523	4.8
81.07084	8.1
88.57539	6.0
91.05486	31.0
93.07030	11.8
95.08617	10.4
98.97572	6.7
105.07006	11.9
107.08626	10.5
108.26699	5.9
116.06223	7.4
116.98615	6.9
119.08546	13.9
129.07056	6.3
131.08586	51.4
140.00081	6.2
159.08035	100.0
189.12674	6.6
198.53279	5.9
215.09904	6.1
225.12662	7.2
225.76701	7.5
232.88260	6.5
243.36758	5.3
281.18967	14.2
299.20068	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.28045	4.2
56.96551	5.2
60.08150	4.7
63.33281	4.2
71.95958	5.1
91.70933	5.7
104.81986	5.6
138.75961	5.8
147.69356	6.0
172.94447	5.9
249.03229	6.1
258.05295	36.3
263.12018	6.6
286.04718	46.2
301.07062	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	3.8
58.06602	6.1
60.07858	5.6
60.08155	100.0
69.07055	21.2
72.83602	4.4
78.91006	4.3
80.15229	3.8
84.04481	4.4
86.09697	42.4
88.03986	28.4
98.97598	5.8
101.87977	4.3
144.10233	12.2
146.11819	11.6
181.02902	4.3
182.15483	4.5
201.10162	4.4
242.03621	4.6
246.93184	4.7
260.00235	6.2
301.24820	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23448	2.2
54.24702	2.6
55.01871	2.8
56.96527	3.2
58.06591	3.5
58.99581	5.6
60.04526	2.4
60.08155	34.1
65.03925	4.9
69.03407	3.5
69.07049	7.2
70.06580	11.3
72.08137	7.4
75.65755	2.9
76.02217	16.1
78.13609	2.4
84.04494	34.4
84.08150	5.2
85.20144	3.1
86.09698	4.9
86.84508	3.0
86.99052	6.9
91.05463	6.8
93.03406	5.5
97.06512	8.2
101.07138	4.1
105.00069	6.5
111.04425	50.9
114.12857	3.5
116.07094	8.8
116.98717	3.4
122.02715	64.0
130.04988	9.3
134.06032	7.3
136.07579	8.3
139.03893	100.0
140.00209	5.8
164.06985	3.1
173.09274	4.2
180.06519	4.6
181.03352	4.7
181.04953	38.8
181.09776	4.9
182.01135	3.4
198.15358	3.1
200.02251	5.4
242.03383	5.9
242.11288	3.7
245.49832	3.2
302.20908	31.3
306.58658	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54577	0.2
56.96551	0.3
63.60570	0.3
65.03928	2.0
73.33262	0.3
74.12377	0.3
82.73281	0.3
84.91930	0.3
91.05471	100.0
92.05814	0.8
92.47658	0.3
93.45013	0.3
100.38986	0.3
108.08144	0.5
132.08066	1.1
189.27861	0.3
195.80089	0.3
208.99335	0.4
214.04085	0.4
223.03799	0.4
302.30261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13754	1.7
51.16051	1.7
51.25319	2.0
51.69325	1.6
56.05030	4.5
56.96551	3.9
66.01837	1.8
67.05481	5.8
69.03416	1.9
70.06575	3.5
72.08144	13.3
79.05473	4.2
81.07047	43.0
84.04494	100.0
84.05004	5.1
85.02888	4.0
85.06533	5.3
86.09688	10.7
91.05465	9.5
91.70979	4.6
93.07016	2.8
98.97565	3.4
102.05541	39.0
109.06517	28.3
119.04951	5.2
129.10222	2.1
130.05000	50.9
132.51077	2.0
137.05969	45.9
143.11710	2.3
148.06055	9.2
151.63390	2.0
152.00084	2.2
154.08626	11.0
161.75461	2.4
176.68681	2.3
183.54639	2.3
238.10724	9.8
256.11838	9.3
284.11288	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1862
Annotation	(-)-Indolactam-V
Peak:m/z	Relative Intensity
67.50549	2.9
69.03086	6.5
69.03423	78.6
70.06544	4.7
71.56309	3.2
72.08147	33.4
91.05473	10.4
98.45051	3.7
99.39651	3.5
119.04906	5.6
132.13800	3.5
136.07578	100.0
142.91338	4.2
152.01210	3.6
204.10184	25.0
250.45816	3.6
302.18640	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19545	1.9
50.93798	2.4
52.38505	2.6
54.38279	2.5
62.23918	2.6
65.72906	2.3
69.03423	62.6
72.08140	34.2
84.04508	2.8
91.05476	9.6
111.04436	2.8
119.04958	9.9
122.02726	5.0
136.07574	100.0
139.03940	5.8
204.10207	29.0
302.18539	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	6.0
56.96560	3.8
67.13467	2.2
70.06586	4.3
72.08144	100.0
80.49903	2.4
84.04501	5.1
84.08139	4.2
86.09699	31.9
92.30867	2.8
101.91335	3.3
124.19576	2.6
132.10211	7.9
143.11780	30.3
146.40964	2.8
157.13382	11.2
171.11301	21.8
185.12885	5.3
195.75705	3.4
200.02435	4.0
203.31909	3.1
233.16284	2.9
271.48529	3.4
302.05264	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3052
Annotation	Sphinganine
Peak:m/z	Relative Intensity
57.07069	9.3
67.52277	1.3
70.06585	18.6
71.08600	4.9
72.07010	1.3
73.82716	1.2
77.76719	1.2
87.08523	1.2
88.07621	17.5
91.53229	1.3
97.56760	1.4
98.36858	1.4
102.09166	6.1
106.08668	10.2
145.42798	1.5
161.92810	1.4
186.76239	1.6
284.29434	6.0
302.30490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Homoeriodictyol chalcone
Peak:m/z	Relative Intensity
50.01521	2.3
54.54142	2.7
56.96567	5.0
58.85502	2.4
59.71087	2.7
65.36814	2.8
67.01875	6.4
81.07079	3.1
89.03927	6.5
97.02906	4.7
104.99314	3.0
109.29828	3.0
117.03409	9.5
117.20415	3.2
120.07747	2.9
145.02844	14.1
149.05988	5.0
153.01822	100.0
171.02936	14.4
177.05490	38.9
179.03496	5.1
186.05499	13.3
206.27165	3.3
224.21503	3.4
276.37350	3.5
278.06387	3.6
282.57666	3.5
303.08542	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	6.0
56.96545	6.1
70.06583	7.4
71.90214	3.4
72.08137	4.0
84.04488	100.0
85.02927	3.8
86.06068	12.9
86.09699	89.6
114.05558	3.9
130.04991	95.6
132.10201	20.6
142.04994	8.1
152.10678	6.4
172.06085	12.9
177.05470	4.7
198.11237	19.3
227.84114	4.0
243.13489	5.1
257.14938	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1805
Annotation	Viridamine
Peak:m/z	Relative Intensity
52.69755	5.1
53.58279	5.3
56.32262	5.9
57.07071	5.2
62.58036	5.3
71.08628	11.1
81.07039	8.8
81.18534	6.8
94.08295	5.8
104.99261	26.0
153.00368	19.2
155.01910	26.2
162.04065	13.4
171.01395	100.0
178.03462	31.7
194.02991	51.2
205.98062	8.7
237.09677	16.2
260.11365	12.2
263.34467	9.0
283.64737	7.7
303.18042	29.2
326.19714	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
51.81327	18.7
55.05482	25.3
55.47096	16.5
63.04963	18.3
67.05476	24.0
72.29498	18.1
73.39468	16.7
80.63033	21.9
81.07040	61.5
83.98330	19.2
86.09695	26.1
91.05486	51.2
93.07036	47.0
95.08578	58.3
99.02061	20.7
104.99290	47.8
105.07032	94.1
107.08588	93.7
115.55354	25.0
117.07017	24.9
119.08560	45.6
121.10136	51.8
131.08624	43.6
133.10168	51.3
145.10135	69.0
157.10110	25.0
159.11761	31.2
161.13283	45.8
227.17987	30.7
239.18031	28.2
240.36678	23.6
281.90359	25.9
285.22086	100.0
296.28522	25.7
300.20358	24.4
303.22922	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
55.05508	21.2
55.45345	3.3
56.96577	2.8
57.07077	10.5
65.03937	4.2
67.05493	61.3
67.05820	3.3
69.07069	11.4
71.04989	4.6
76.50623	2.8
79.05474	25.4
81.07043	51.9
81.07474	4.4
83.08620	3.7
85.06561	3.4
91.05473	100.0
91.06030	5.5
91.71624	3.7
93.07029	37.7
95.05014	3.9
95.08619	26.3
97.94613	2.9
104.31427	3.0
104.98673	3.0
104.99246	17.5
105.07018	59.3
107.05785	3.3
107.08588	21.7
109.10178	6.3
115.05513	3.8
117.07005	45.5
119.08566	29.5
121.06570	3.7
121.10194	11.2
122.55400	3.0
123.11696	10.8
127.29634	3.4
129.07030	13.1
131.08549	42.4
133.10075	20.4
135.08049	5.7
135.11763	5.0
137.13264	3.9
141.06984	16.3
142.49417	3.2
143.08600	8.5
143.42528	3.6
145.10123	31.7
147.11713	6.8
149.09628	4.5
149.13274	4.1
155.08641	8.1
157.10191	6.6
159.08070	5.3
159.11726	9.6
161.09692	4.0
161.13284	9.8
167.10689	5.1
169.10193	14.1
171.11726	4.5
173.09741	5.1
173.13287	5.6
175.14856	7.2
183.11749	12.0
187.11203	7.3
187.14899	6.0
189.16478	8.5
191.10817	7.3
195.72850	4.0
201.12915	9.6
213.16550	5.3
233.15402	5.0
243.21210	6.1
257.19098	7.6
266.86780	3.4
267.21039	8.9
285.22067	15.9
303.23117	96.2
303.26486	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
52.96312	24.4
57.07048	38.4
65.41509	27.3
67.05499	60.6
72.04481	26.4
76.96619	27.6
81.07031	43.5
91.05472	91.4
93.07016	36.1
93.65765	38.4
95.08570	34.2
95.89343	33.4
104.99266	42.3
105.07021	61.9
117.06966	57.8
119.85815	30.9
123.15047	34.7
128.21094	33.4
131.08565	54.5
145.10065	45.9
162.00832	32.5
183.59573	44.9
206.92815	41.6
218.24023	42.1
263.76691	36.7
296.20404	48.5
303.23077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Obtunone
Peak:m/z	Relative Intensity
55.05511	26.2
56.96547	4.2
57.07064	21.9
59.57419	4.1
66.02614	3.9
67.05495	71.3
69.07050	24.5
71.08620	9.6
79.05482	27.7
81.07047	61.8
83.08597	8.0
85.06529	5.7
91.05470	100.0
93.07040	37.6
95.04967	4.7
95.08591	35.1
104.99270	22.7
105.07020	94.1
107.08587	19.3
109.10155	15.5
117.07027	36.2
119.08572	43.4
121.10202	8.2
129.06985	28.9
131.08551	55.6
133.10124	19.8
141.07007	8.6
143.08595	9.3
145.10062	28.0
145.70650	5.0
147.11742	7.8
149.09573	12.0
157.10170	25.2
159.11742	15.2
161.13254	7.3
165.28722	5.4
169.10202	11.9
169.27187	4.9
171.11610	7.2
173.09679	7.2
173.13266	12.8
175.14864	8.8
175.16473	5.3
183.11691	8.3
187.11278	8.0
195.96857	11.9
201.12779	14.6
201.16315	6.0
218.98431	11.8
219.13644	8.7
228.97850	5.7
233.15392	9.8
270.00470	6.0
285.22018	14.8
303.23190	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	19.1
57.96328	21.0
63.74176	22.8
67.05488	57.3
77.21277	23.3
79.05476	30.3
81.07054	49.1
91.05490	25.2
93.07025	43.9
95.08613	30.0
95.14331	28.1
104.99262	100.0
105.07056	40.3
117.07041	35.0
119.08605	30.3
121.10117	24.6
121.76696	27.4
133.10094	35.3
170.83934	24.4
184.73700	30.2
197.00160	26.7
197.28055	25.0
303.23035	39.4
316.71893	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2316
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
50.63145	9.8
55.05480	11.3
57.25438	10.8
67.05491	71.5
67.46870	10.7
69.51427	11.3
79.05491	35.3
81.07041	78.6
84.34418	11.6
91.05465	52.7
93.07037	44.8
95.08617	60.7
104.01353	12.6
105.07022	45.2
107.08565	23.7
109.10173	30.1
115.44794	12.8
118.09657	12.9
119.08572	52.8
121.10146	34.5
131.08572	28.0
133.10092	32.4
135.11694	24.5
145.10136	17.3
147.11620	27.4
175.14821	15.5
207.68655	13.5
257.44028	13.9
303.23233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	Agallochin G
Peak:m/z	Relative Intensity
53.00278	6.1
55.05505	33.6
56.75220	4.1
57.07056	10.0
62.70592	4.1
67.05497	56.0
69.07057	27.1
73.06538	4.7
79.05492	32.6
81.07047	61.9
81.48779	4.4
85.06509	5.1
91.05477	89.9
91.71651	7.3
92.16241	5.3
93.07025	46.9
95.04956	7.4
95.08575	34.3
104.99265	23.3
105.07026	84.9
107.08582	20.6
109.06505	8.3
109.10159	6.0
117.07003	32.0
119.08562	35.3
121.10152	18.2
129.06984	22.6
131.08545	46.2
133.10124	22.8
141.06998	10.6
143.08559	10.6
145.10164	36.6
147.11641	6.3
149.09615	9.7
155.08507	8.2
157.10121	22.1
159.11681	14.4
161.13278	11.6
169.10155	11.1
171.11723	5.9
173.13196	9.7
175.14877	11.1
183.11729	11.8
187.11171	9.1
191.10797	6.2
201.12813	14.5
205.21576	5.5
241.19591	6.2
267.20981	8.1
285.22125	11.6
303.23178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	100.0
57.01062	5.0
57.21044	6.2
69.56616	6.0
89.55894	6.5
89.64059	6.5
104.99270	7.9
127.54784	8.2
165.15218	6.9
175.02733	13.6
180.03127	9.2
198.04456	14.9
210.04391	10.2
221.05974	15.5
260.09372	8.5
281.06976	7.9
304.08511	87.8
322.09781	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	100.0
59.54829	6.8
64.73507	8.3
67.19347	9.2
75.41299	8.1
95.70161	7.5
104.99251	25.0
159.95689	7.7
170.50841	8.4
183.42564	8.5
184.04507	8.1
237.08063	11.9
257.34659	10.4
260.09430	46.8
278.10602	9.4
304.08554	33.4
322.09451	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92558	3.5
56.05023	19.6
58.06585	9.5
60.05627	22.4
67.22553	4.1
68.05029	4.7
70.06580	98.3
72.08141	16.7
84.04496	23.4
85.07655	6.9
86.05620	4.6
86.06034	28.3
91.71070	6.1
100.95674	5.5
102.05543	11.5
112.08735	9.3
114.05512	70.9
114.06245	5.8
114.10292	12.0
116.07091	18.4
124.07614	7.3
125.75546	4.6
129.06619	7.8
130.05025	9.4
130.09770	7.0
131.05710	5.5
137.10722	6.4
141.10201	12.1
142.08644	9.3
158.09276	10.8
175.11884	33.8
183.11346	5.9
185.09190	100.0
185.10722	5.7
186.07640	7.8
286.13852	47.0
304.16025	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	19.8
58.06601	6.1
60.05640	32.3
65.82449	3.4
68.05021	5.2
70.06583	96.2
70.06933	5.8
71.05013	6.7
72.08166	17.9
84.04507	23.6
85.07654	6.8
86.06088	19.2
86.08848	4.4
91.71603	4.9
97.07648	8.0
100.03979	7.4
102.05566	6.6
112.08718	6.4
114.05518	61.9
114.10309	13.9
116.07076	25.6
124.07587	7.6
129.06598	11.5
130.05016	6.1
130.09807	7.9
141.10297	6.9
142.08676	7.1
145.09758	7.3
157.09779	5.3
158.09309	14.2
160.00415	5.2
167.25531	5.0
175.10493	8.0
175.11891	58.9
175.13243	4.5
183.11357	10.0
185.09189	100.0
196.92616	4.6
213.16699	4.5
234.07700	5.2
286.13901	44.8
304.16162	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
51.08971	3.3
55.05503	5.1
66.44651	4.4
72.04146	5.8
72.04510	86.4
73.59865	3.8
83.08603	5.6
91.05467	12.3
95.45972	4.4
104.99281	11.6
105.07029	17.3
123.20226	5.2
129.35947	5.2
133.47083	4.9
152.31079	4.3
162.31802	4.2
291.36111	4.9
304.26282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12156	3.9
51.51934	4.8
52.06679	3.9
52.31184	3.8
52.46224	4.9
57.07071	15.4
60.37090	4.6
70.06579	29.3
88.07605	32.3
96.93880	4.8
97.69042	4.6
98.59612	5.8
102.09190	24.6
104.99267	47.0
116.37623	5.4
242.24753	54.8
261.86877	5.4
262.98221	7.7
304.28409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56692	19.3
56.96560	45.4
63.26685	19.3
65.47456	21.5
65.47826	20.7
68.00697	18.2
78.77138	22.9
81.07085	26.0
91.71650	50.1
98.97615	100.0
108.70767	22.7
116.98678	42.4
140.00238	55.9
158.01410	34.6
181.02814	31.2
325.15384	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
68.99776	5.5
69.03398	1.5
77.38029	1.1
80.40318	1.1
81.03403	2.7
111.04433	1.5
113.48634	1.2
127.03907	6.5
137.02344	100.0
153.01826	54.9
179.03374	14.3
179.80447	1.3
208.10208	1.3
248.38072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	22.0
56.13970	2.0
56.96568	2.8
58.06586	8.1
58.63195	1.9
60.08156	100.0
61.01142	13.7
69.07062	23.6
70.06584	6.2
72.08152	2.6
73.03891	2.9
79.99446	2.2
91.05457	6.8
97.06516	3.1
98.97567	2.8
104.05316	27.5
109.30054	2.9
113.72601	2.6
114.12798	4.6
119.04967	6.0
122.06094	3.7
133.03177	8.2
138.09088	2.5
146.06569	2.5
147.04420	23.5
150.05849	10.7
169.02435	2.6
198.11230	4.5
222.00479	2.9
289.20200	2.7
289.57974	2.8
305.18884	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75344	3.5
57.18008	3.2
58.06591	6.3
58.46967	3.0
60.08146	15.4
61.01141	90.8
68.29578	3.7
69.07066	4.4
74.02415	4.3
85.40115	3.6
86.09695	80.0
86.96009	4.6
87.02699	11.3
89.59710	3.7
92.07367	3.7
97.02307	4.3
103.73856	4.6
105.03726	17.2
106.41097	4.2
133.03259	4.9
141.88922	4.4
153.47853	4.3
170.11684	5.9
198.11235	100.0
238.91719	5.3
246.11551	28.2
305.18881	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
53.03964	4.4
54.29119	4.3
55.05497	17.9
57.07074	5.8
67.05494	50.5
69.07053	22.3
73.24947	3.9
79.05488	54.7
81.07041	52.5
83.08615	9.4
87.67606	4.9
91.05471	42.2
93.07036	100.0
95.04950	14.0
95.08613	32.6
97.10200	4.7
99.69148	6.2
104.99281	5.8
105.07021	17.0
107.08582	48.7
109.10136	11.8
117.07008	4.7
119.08569	6.9
121.10143	35.7
123.22212	4.9
131.08557	6.6
134.23184	5.7
135.11674	29.7
137.06001	23.3
149.13266	21.5
163.14812	10.3
231.37195	5.1
231.78656	5.3
250.27252	6.4
270.95850	5.4
305.24692	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2471
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
53.31310	7.0
55.05504	17.7
57.07051	11.2
67.05494	50.9
69.07083	14.6
76.60081	7.0
79.05483	44.8
81.07045	46.3
83.08600	9.3
83.64188	7.8
91.05463	37.7
91.70941	8.4
93.07034	67.7
95.08580	39.6
105.07014	29.7
107.08587	28.2
109.10117	20.6
116.17233	7.2
119.08570	20.6
121.10152	42.5
121.26929	7.8
123.11684	7.6
131.08481	8.5
133.10078	19.3
135.11714	20.5
135.62138	7.6
137.05975	41.8
145.10091	9.3
147.11670	19.2
150.78033	7.6
167.10582	7.2
173.55508	7.8
177.16399	9.3
191.18060	10.1
202.89246	8.8
207.13876	12.4
221.15414	12.6
305.24710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2473
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
55.05493	19.7
57.07066	13.7
59.70216	5.4
67.05497	69.7
69.07054	24.5
72.84367	7.0
79.05486	41.0
81.07043	72.0
83.08602	12.2
83.28896	7.2
85.06523	7.5
87.06892	5.7
87.46810	6.3
91.05473	44.8
91.71596	9.1
93.07034	69.5
95.04956	7.0
95.08597	42.0
103.97635	7.1
105.07021	32.1
107.08583	48.8
109.10151	18.0
117.06992	7.7
119.08596	33.5
121.10140	59.2
122.14585	7.0
131.08516	13.2
133.10161	27.8
135.11710	19.9
147.11667	18.0
149.09592	10.2
149.13313	11.0
151.14897	10.2
175.11137	8.9
177.16357	11.9
185.13210	7.3
203.18016	9.1
206.30505	7.3
207.13806	11.3
221.15404	22.7
221.97110	7.2
269.22607	12.4
287.23618	17.1
305.24762	100.0
317.49008	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22910	3.5
60.04237	8.4
60.04516	100.0
60.08141	4.9
68.61754	3.7
69.03383	4.7
70.06590	5.6
72.04498	4.0
72.08146	8.5
74.06046	11.4
74.94740	4.5
84.04518	30.1
84.08130	6.7
86.09691	64.5
89.58929	4.0
91.00573	4.5
102.05530	50.7
113.95040	4.8
127.12273	6.3
129.06624	18.8
132.10225	40.2
133.81221	4.4
137.05962	10.1
139.47868	4.4
147.07637	37.9
168.92586	4.6
171.11888	4.3
173.12836	9.7
175.07162	44.0
194.49800	5.4
201.12292	4.7
219.13315	15.1
282.13660	6.5
288.15482	8.2
305.74222	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69084	1.0
54.76077	1.1
65.03930	1.0
69.07072	1.7
80.68843	1.0
81.07036	1.4
85.13700	1.2
94.04176	4.9
108.76318	1.2
122.03647	10.8
137.05972	100.0
138.06285	1.6
170.15425	1.4
182.15440	2.8
244.58243	1.5
256.34698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2425
Annotation	Samandarine
Peak:m/z	Relative Intensity
50.12838	1.1
54.87242	1.4
56.96551	2.7
57.06799	2.7
57.07067	43.2
67.05487	2.0
69.05473	1.3
72.04498	2.7
74.70076	1.3
76.53436	1.5
76.89064	1.6
80.15950	1.5
81.07092	2.0
84.85947	1.9
86.11591	1.5
88.07627	5.8
107.04952	47.6
118.47359	1.6
122.03632	3.0
137.05962	41.6
138.01338	1.7
138.23831	1.6
144.60555	1.6
162.54407	1.5
163.11194	13.1
172.02747	1.8
194.11760	100.0
219.17514	5.5
250.17993	89.1
306.24246	21.8
309.58780	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	1.5
57.07058	6.8
61.17735	1.7
63.13904	2.1
63.19627	1.5
64.47806	1.7
69.07059	1.7
70.06587	20.9
71.08626	2.5
80.51977	1.9
80.52895	1.7
81.03359	2.3
84.08128	2.9
88.07619	20.5
98.47795	1.8
102.09161	4.5
110.39478	1.6
114.09140	10.8
118.08696	2.1
132.10191	33.3
137.05966	7.2
151.90622	2.5
176.12808	6.4
183.28613	2.0
194.13921	7.7
200.20088	6.0
201.63005	2.0
218.21054	3.6
275.88654	2.1
306.26340	100.0
313.28571	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28258	1.1
54.79486	1.2
56.05012	4.3
57.07048	6.4
58.06593	9.7
59.41485	1.1
60.04490	2.7
63.02784	1.2
65.20943	1.2
70.06573	1.5
72.04415	1.2
72.08128	1.8
74.06055	5.1
85.10171	1.4
86.06033	6.2
88.07101	2.3
88.07618	43.5
89.06039	1.4
100.07591	1.8
104.07108	3.8
112.40423	1.3
132.10175	11.3
137.05981	4.0
144.58395	1.4
161.04149	1.6
162.11214	2.6
166.10655	3.3
200.20047	1.5
200.67799	1.9
214.21626	36.3
242.51552	1.6
258.24255	11.1
306.26328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39068	1.8
57.07055	7.3
70.06582	33.4
71.08608	6.2
71.30302	1.9
72.08150	2.6
78.20697	2.0
81.07772	1.9
84.08111	2.5
86.09706	4.9
88.07628	10.8
100.40535	2.0
102.09158	3.1
132.10182	9.7
137.05942	4.2
146.11804	11.5
150.39778	2.3
150.97133	2.5
194.95369	2.4
200.20056	21.8
204.62012	2.4
244.22710	42.8
306.26346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.8
67.05499	50.8
69.07043	11.0
72.04507	100.0
78.02032	3.2
78.46558	3.8
79.05467	7.3
81.07057	42.2
83.08590	4.7
93.07037	10.4
95.08591	32.7
100.07594	5.0
109.10150	14.7
114.09143	9.1
121.10154	6.6
128.10715	9.9
131.20058	3.9
133.70609	3.6
137.05977	30.5
137.13205	4.3
142.12206	5.7
162.63841	3.8
170.15312	4.1
203.81523	3.5
262.29904	3.9
288.95016	3.9
306.28067	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71841	0.6
58.06588	4.6
61.02905	0.7
69.03417	1.8
69.07058	4.0
70.00624	0.6
70.06571	4.0
70.56297	0.7
71.16573	0.9
72.08135	1.8
72.67863	0.7
76.02195	1.0
81.03414	1.2
81.04530	2.8
84.04491	8.2
84.08134	3.1
85.02885	2.4
85.08904	4.5
86.09711	1.5
93.59543	0.9
95.25564	0.7
97.02884	1.8
97.06527	0.7
110.07129	1.0
114.12796	100.0
116.07188	0.7
122.07137	14.1
127.03922	2.3
130.04982	2.4
144.04770	8.1
145.04910	1.0
164.08171	12.5
206.61160	0.7
243.17032	2.8
302.89120	0.9
307.13354	1.2
307.16821	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2015
Annotation	13alpha-Angeloyloxylupanine
Peak:m/z	Relative Intensity
55.05495	5.2
58.06585	11.4
60.07862	5.8
60.08156	100.0
69.99816	2.9
77.49353	2.8
77.68850	2.7
103.05462	4.2
112.02223	2.8
120.08098	50.4
128.04990	3.6
129.71785	2.7
137.40234	2.7
146.06000	45.9
149.20172	2.9
166.08614	6.8
185.57533	2.9
220.64142	3.2
242.46288	3.2
307.20108	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.00042	1.9
55.05494	8.0
57.07053	3.9
65.03936	5.0
67.05495	96.0
69.07046	11.1
72.40839	2.8
76.16729	2.2
79.05469	4.1
81.07047	100.0
83.08610	7.7
91.05477	5.0
91.71693	2.2
92.72356	2.5
93.07032	7.4
95.08597	78.5
97.10182	4.0
105.07053	3.2
107.08596	4.2
109.10156	32.8
119.08526	2.3
121.10152	5.5
123.11700	10.0
133.10117	3.8
135.11693	3.4
137.06020	7.7
137.13239	7.7
138.06332	6.7
147.88440	2.3
172.02882	3.8
242.56306	2.3
268.91064	2.5
304.63391	2.6
307.26123	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0908
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.77031	1.9
56.05017	3.5
58.99580	17.2
63.21728	2.3
68.42456	2.7
71.97745	2.2
76.02219	100.0
76.03991	3.1
80.05000	3.5
84.04011	4.9
84.04494	66.0
84.05004	3.4
84.64989	2.0
85.04842	3.5
86.99027	4.1
100.02194	2.3
116.01673	18.6
130.04996	18.3
133.80496	3.2
134.07947	3.3
142.03212	10.6
144.01140	9.1
153.78362	2.6
162.02185	29.6
179.04837	31.6
215.04832	2.7
220.09431	2.3
233.05946	8.9
245.05693	2.5
250.14740	2.4
256.92978	3.1
267.15656	2.6
308.09061	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0911
Annotation	Glutathione
Peak:m/z	Relative Intensity
52.74212	2.8
58.99575	18.1
75.96765	3.1
76.02219	100.0
84.04493	48.4
86.99036	7.2
87.21476	3.0
94.73303	2.9
96.39570	3.9
100.02158	4.0
116.01683	20.9
129.51672	3.5
130.05005	10.6
142.03236	8.5
142.78003	3.0
144.01151	10.7
148.06050	3.5
162.02176	36.7
170.38673	3.6
179.04843	33.8
179.06166	4.9
233.05879	7.8
243.85510	4.4
253.37062	4.1
308.09171	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
52.86905	0.5
54.17377	0.5
57.07057	0.7
59.79883	0.5
66.04720	0.8
69.07010	0.7
81.07027	2.0
84.03923	0.5
91.05459	1.0
94.04190	3.2
95.08586	1.0
103.77759	0.6
122.03638	8.7
123.27416	0.6
137.05969	100.0
138.06328	0.7
146.18684	0.6
167.04050	0.6
172.16969	1.4
184.16988	2.9
240.42342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33371	1.7
53.03932	2.7
55.01872	2.0
55.05259	2.7
55.05499	18.9
57.07068	3.6
67.05491	17.5
69.07061	18.1
71.05014	2.9
71.08626	27.9
77.57893	1.9
79.05497	8.3
81.07052	34.3
83.04969	4.8
83.08610	6.8
87.83373	2.7
91.05480	6.1
93.07027	20.5
95.04979	6.8
95.08599	27.1
97.06522	10.0
97.10132	2.3
99.08098	12.4
100.07616	3.4
102.11983	2.5
105.07018	5.4
107.08582	17.5
109.06532	23.5
109.10145	8.1
111.08083	5.3
119.08604	6.0
121.10152	6.9
123.11688	3.1
123.59022	2.4
131.97928	2.4
133.10162	6.2
135.11723	4.8
136.25034	2.6
142.12381	2.4
147.11676	3.5
149.13290	3.3
165.12746	39.5
169.85052	2.5
175.14806	6.6
179.14410	3.8
191.78645	2.2
193.15913	8.2
235.17039	5.3
291.23172	100.0
308.25787	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79271	5.0
55.05486	14.7
55.34380	4.1
57.98295	4.0
64.66790	5.1
67.05489	7.5
67.96078	4.3
69.07056	18.6
72.04507	100.0
81.07054	14.8
91.71618	7.8
109.10124	6.2
114.09174	11.1
130.43556	4.9
142.12239	6.2
154.76529	5.1
196.04745	6.1
225.96498	6.1
308.29398	43.4
314.11441	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59872	3.3
55.05507	20.7
66.29837	3.5
67.05488	9.3
69.07045	16.8
72.04503	100.0
81.07047	11.1
83.08615	7.0
95.08594	11.7
97.10166	5.3
109.10190	5.1
114.09174	12.9
128.10730	7.2
142.12315	7.4
164.59570	4.1
170.15317	5.1
223.29378	4.4
249.95102	4.4
299.18164	5.0
308.29483	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.5
57.07076	3.5
66.98547	3.3
67.05499	10.4
69.07056	18.6
69.23435	3.1
70.11801	2.9
72.04506	100.0
72.04880	7.5
81.07042	16.2
83.08604	6.2
84.05253	3.6
84.93124	3.3
91.71065	4.2
95.08611	7.5
97.10161	6.6
102.54005	3.4
114.09176	7.5
118.16400	4.1
118.67186	3.5
128.10687	8.9
142.12231	3.8
147.58797	3.8
156.13899	6.1
158.16391	3.8
268.28708	3.9
308.29413	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	68.0
56.57218	13.8
57.07063	30.2
67.05487	57.3
69.07057	88.8
71.08602	16.4
72.04501	62.9
79.26517	14.5
81.07047	57.0
83.08600	53.1
95.08569	47.0
109.10159	34.2
115.31305	15.9
128.10692	20.9
156.13863	15.9
167.35016	15.8
179.82033	18.4
239.47876	17.2
248.81613	17.9
303.31921	21.9
308.29520	100.0
309.24036	36.7
326.65396	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30770	1.9
65.03936	2.8
69.03416	5.4
70.06593	2.8
84.04530	3.3
87.93926	2.3
88.62074	2.5
91.05475	21.9
98.06019	4.1
100.11353	2.9
119.04942	34.6
147.03223	5.5
147.04399	100.0
176.10580	2.9
210.51634	3.0
220.92073	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1078
Annotation	Indicaxanthin
Peak:m/z	Relative Intensity
54.80074	1.7
56.05017	4.3
74.12581	2.1
79.05481	25.1
84.04013	4.6
84.04493	72.8
95.04981	6.2
102.05527	23.6
106.06577	7.5
107.08570	2.6
127.80132	2.6
130.05003	38.8
134.06029	4.1
138.57404	2.2
145.92703	2.4
148.06047	38.6
162.05487	100.0
162.43773	2.3
180.06558	19.8
181.35747	2.4
191.43413	2.1
208.81488	2.6
241.70734	2.4
268.08646	3.0
273.14474	2.6
280.23148	3.0
309.10815	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79521	2.6
53.02237	2.1
56.05009	4.5
67.05473	3.4
78.67276	2.7
79.05479	22.6
81.07063	4.4
84.04494	88.2
86.09702	4.0
91.05458	3.0
91.71028	6.4
95.04969	13.0
96.04549	2.9
102.05540	30.5
106.06551	9.2
121.81268	3.2
122.05966	3.9
130.04997	48.4
134.05922	7.2
148.06049	44.3
150.92308	3.0
162.05489	100.0
180.06541	24.1
198.76582	3.5
210.49919	2.9
233.85202	3.3
261.08713	3.4
261.29028	3.8
273.22284	3.8
309.16769	3.8
312.86514	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08866	1.2
56.05023	3.5
79.05481	21.5
81.92503	1.5
81.93047	1.5
84.04494	78.3
85.02932	1.6
95.04971	6.5
98.27159	1.4
101.76303	1.7
102.05539	28.0
106.06548	6.7
107.04938	2.7
130.04994	44.5
134.06021	5.0
134.69621	1.7
148.06035	39.1
162.05487	100.0
164.06828	3.9
178.05038	2.1
180.06532	19.7
222.14700	1.9
225.04489	1.6
236.97714	1.8
309.21506	11.5
320.57120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54449	1.9
56.05018	4.1
58.99577	3.9
59.04984	2.0
62.99058	7.1
67.13464	1.4
67.53718	1.4
72.08129	1.6
73.01124	11.2
76.02223	3.8
84.04014	3.3
84.04497	57.6
84.05003	3.1
89.00600	5.4
91.02172	100.0
91.74477	1.7
94.63600	1.5
99.02698	1.9
102.05526	2.5
105.00069	1.7
117.03744	5.3
130.04976	8.4
134.08008	1.9
163.00601	3.2
163.04233	77.8
180.03259	4.0
180.06903	24.1
246.08051	3.2
309.11215	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	3.6
57.03443	5.3
62.64393	3.4
66.69370	3.4
68.05031	11.6
69.03424	9.8
74.66275	3.5
81.03412	39.6
81.07066	6.3
83.04982	3.8
84.04487	66.8
84.08149	11.8
85.02908	26.9
86.06087	4.9
91.05540	5.9
91.71062	7.1
95.04977	5.6
96.04510	16.3
97.02887	76.5
98.06106	4.0
100.16331	3.8
102.05595	8.5
106.06584	5.3
109.02910	8.3
110.06060	5.2
111.04441	7.6
114.05560	18.2
126.05579	6.2
127.03944	6.4
130.05000	100.0
130.05879	7.3
134.06081	17.3
142.04997	11.1
142.28146	4.2
144.06604	5.5
145.29918	5.4
147.07661	6.7
148.67245	5.0
159.07715	5.7
162.05533	10.7
164.07072	6.2
169.87045	4.5
180.06564	7.0
192.06578	7.5
208.06035	46.4
225.08673	53.7
226.07166	6.3
227.70094	5.3
237.08759	9.3
238.07129	10.8
255.09839	8.8
256.08313	14.6
273.10788	71.6
291.11899	35.0
309.13116	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51820	0.6
54.49485	0.4
55.05500	1.1
62.93189	0.6
70.06572	1.7
74.11027	0.5
80.65855	0.6
84.04489	1.0
84.08123	1.1
84.96104	0.5
85.08916	4.7
86.62973	0.6
94.46605	0.6
100.11248	100.0
104.51366	0.6
121.30521	0.6
138.31816	0.7
149.02362	0.6
295.58340	0.8
309.17987	4.6
310.29565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37238	0.3
51.85147	0.4
55.05489	0.7
59.00267	0.4
62.60418	0.4
70.06578	1.6
70.98380	0.5
72.70664	0.5
84.08121	1.0
85.08916	4.3
91.71608	0.6
98.10832	0.4
100.11247	100.0
147.04405	0.6
188.49799	0.5
309.17999	4.8
309.21176	0.5
313.43298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.181
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63543	10.0
70.06575	11.4
71.28167	8.5
80.28727	10.2
84.04502	14.6
84.08128	18.9
86.00897	9.4
86.09698	100.0
91.05513	12.5
119.04910	14.3
136.07585	51.8
137.05995	16.4
144.90439	11.9
166.12259	11.1
179.07031	30.0
196.09686	89.4
206.78009	12.8
263.28232	14.1
309.21814	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	16.9
55.05501	19.8
57.03408	13.1
67.05497	100.0
67.13608	10.0
69.07046	16.1
69.21834	10.6
70.94494	11.5
79.05475	32.3
81.07054	91.4
83.04961	19.0
83.08597	14.6
91.05466	50.3
93.07021	40.7
95.04932	21.2
95.08600	32.7
105.07027	31.2
107.05061	11.3
107.08605	50.5
109.10149	74.2
111.08139	13.3
116.06010	13.2
117.51718	14.0
117.52573	15.7
118.73363	14.0
119.08527	20.2
123.08062	16.7
127.07513	14.2
133.10109	74.3
151.11140	44.0
169.15881	13.4
220.02579	13.6
245.19016	17.6
291.19583	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	69.7
67.05498	56.2
68.14317	19.5
77.26118	20.2
79.05454	27.9
81.07029	49.7
85.06545	41.7
91.05488	30.9
93.07005	20.9
95.04982	42.6
99.35485	22.7
107.08602	32.5
109.06490	48.4
112.48612	19.1
113.06012	100.0
128.86153	20.8
131.08562	23.4
135.08078	54.7
263.44766	20.7
287.79764	24.6
291.19620	55.8
303.19479	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72378	3.9
54.31994	4.4
59.73584	3.7
60.08176	6.8
61.16427	4.0
91.71643	5.4
114.14355	5.5
116.69462	4.3
131.68336	5.0
164.06833	28.1
197.71780	5.4
205.09537	8.2
222.14804	16.7
250.14197	7.0
277.86819	5.6
309.21448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88731	9.3
55.05503	24.5
60.95208	12.5
67.05480	26.6
69.07069	13.3
75.85392	12.1
79.05486	28.8
81.07042	58.8
89.57632	11.1
90.91158	10.7
91.05467	52.8
91.50559	10.9
91.71632	18.5
93.07037	72.7
95.04951	56.6
95.08589	45.3
97.06517	22.1
105.07011	84.6
107.08585	42.7
109.10168	17.0
117.07044	18.2
119.08588	63.7
121.10155	100.0
123.11657	14.3
126.59984	11.6
129.07016	14.4
131.08542	21.9
133.10153	26.7
140.53032	11.9
142.07771	18.4
143.08562	23.4
145.10141	44.5
157.10109	15.4
159.11731	15.4
173.13254	13.0
183.11740	13.9
187.14787	30.4
203.54407	15.2
254.13351	14.6
309.22122	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
52.07186	3.8
55.01865	7.5
55.05492	15.4
55.36964	4.1
57.03423	5.3
57.39561	4.1
61.89098	5.0
67.05506	36.0
69.07063	11.3
69.27674	4.5
79.05486	33.4
80.90633	4.8
81.07048	43.3
83.08620	7.0
91.05466	46.7
93.07039	86.2
95.04958	65.2
95.08590	39.9
97.06549	17.1
102.71274	4.9
105.07032	94.8
107.08592	37.4
109.06496	16.3
109.10161	20.6
115.80752	4.9
117.07034	18.4
119.08569	60.2
121.06519	6.8
121.10139	100.0
123.08032	13.2
128.06221	13.7
129.06985	12.1
130.07813	7.5
131.08578	36.8
132.43091	5.0
133.10139	44.3
135.07982	5.2
135.11650	6.8
142.07782	13.0
143.08557	20.3
144.09315	7.3
145.10135	42.0
145.30576	5.6
147.11702	7.2
153.06918	7.5
155.08484	6.7
156.09346	8.0
157.10123	26.9
159.11716	33.1
161.09645	8.1
164.24165	6.2
169.10095	13.4
171.11684	11.1
173.13313	10.8
175.14842	6.2
183.11729	13.1
185.13275	11.0
187.11078	9.3
187.14813	11.9
197.13315	5.7
204.72569	6.5
209.13165	8.1
211.14780	10.8
273.28342	6.8
291.20969	8.7
309.22049	29.6
311.64993	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.94311	24.3
55.05499	37.9
58.45899	30.3
60.26724	28.5
67.05491	53.2
81.07056	74.2
91.71672	43.1
93.06979	28.9
95.08624	39.5
107.08626	37.5
140.71857	32.2
214.33209	36.3
259.10892	36.4
309.24176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.70157	17.3
55.05497	26.1
67.05499	52.0
69.07041	49.9
74.90368	26.6
79.05492	26.0
81.07048	72.0
82.68975	21.8
93.07031	60.0
94.86168	20.0
95.08611	42.2
105.07014	26.9
107.08562	33.3
109.10176	29.7
200.30899	23.4
221.65196	27.6
221.67424	24.3
281.59317	27.6
309.24326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88182	0.8
56.77994	0.8
64.41005	0.7
67.18982	0.7
81.21677	1.0
82.15680	0.8
84.04493	4.8
89.03916	8.3
91.71727	1.5
103.99573	1.0
107.04975	1.7
107.23505	0.8
117.03376	9.9
125.80367	0.9
130.04999	3.4
130.77248	0.9
135.04420	20.6
135.05389	1.8
140.55325	1.0
145.02824	9.0
148.06033	3.7
158.05989	1.9
163.03888	100.0
169.04594	1.0
186.05449	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80799	0.8
56.64626	0.9
74.96184	1.0
80.06913	1.0
80.52319	1.1
81.07021	1.2
91.05440	1.3
91.71049	1.5
93.24562	1.1
117.97964	1.4
157.64522	1.4
224.45128	1.2
244.74467	1.2
294.12747	36.3
295.13544	19.5
300.48605	1.3
310.15872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.31
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
55.05510	13.1
56.58921	4.2
56.84114	4.6
57.07071	28.2
57.77787	4.5
63.37768	4.8
69.07075	24.1
71.08620	10.0
72.04499	46.3
81.07073	10.1
83.08604	8.7
85.10194	6.7
87.59785	4.7
88.10679	5.2
89.15724	4.9
93.95670	6.5
97.10194	8.6
100.07667	8.0
100.11290	6.0
114.09209	12.0
121.94487	5.1
128.10744	9.6
135.49974	6.3
142.12370	7.2
156.13876	5.8
158.95615	5.7
285.33112	6.8
310.31049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3101
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
55.05506	4.7
56.54614	2.5
57.07069	5.2
69.07066	6.6
71.08591	3.3
72.04510	100.0
77.18694	2.7
77.39397	2.8
83.08622	3.2
100.23161	2.9
110.68262	3.2
114.09171	7.0
128.10658	6.1
130.51393	3.0
142.12283	4.8
170.15424	3.4
182.74583	3.1
185.49626	3.8
267.61356	3.2
270.95325	3.3
310.31046	75.0
311.59390	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17204	2.0
57.07064	5.1
61.95865	2.2
70.64635	2.7
72.04509	7.3
72.08148	28.3
80.94647	2.6
94.28152	2.8
110.15079	2.5
118.03710	2.6
123.90755	2.5
128.10706	4.1
140.08672	2.5
158.46320	2.8
184.37619	3.1
188.88881	2.8
195.92371	2.9
202.80119	2.9
238.10551	3.3
310.30994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27480	8.3
56.96548	44.7
57.46132	8.2
98.97575	10.7
99.36580	11.7
100.11249	61.3
144.02342	12.4
152.82643	12.2
168.40807	11.6
210.22298	13.7
217.29396	11.6
246.08727	11.7
248.35042	12.5
251.09592	26.2
269.10495	22.2
292.12100	100.0
326.03326	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79367	0.7
53.07953	0.6
54.66120	0.8
57.07064	1.3
58.44080	0.9
61.72340	0.7
77.03929	1.3
80.42707	0.9
80.81579	0.8
83.17690	1.2
91.05471	13.9
91.71077	1.2
93.07038	10.3
95.04964	8.0
100.11245	4.9
103.85989	0.9
105.04530	1.3
106.54169	0.8
118.06561	2.1
121.06490	16.7
146.42665	1.0
147.96445	0.9
149.05969	100.0
150.06331	1.1
166.08672	2.1
190.08626	1.9
209.11722	1.7
258.46149	1.0
311.17050	1.0
311.28119	2.5
320.50012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50399	6.8
57.03446	7.1
60.73748	9.8
64.78514	9.0
70.06579	10.1
72.08173	11.4
84.04494	17.8
100.11272	55.7
111.07323	7.9
206.41821	10.0
266.70959	9.1
311.17358	100.0
311.27969	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39223	1.4
55.05502	1.3
60.93563	1.1
75.13860	1.2
76.64827	1.2
79.05480	3.3
82.40142	1.5
85.65543	1.4
91.05472	36.3
95.05005	1.5
95.08528	1.3
95.69081	1.4
100.11250	12.9
103.05462	3.1
105.07024	100.0
115.05457	3.7
129.07037	2.4
131.08524	1.7
137.51567	1.4
143.08517	2.9
167.08583	4.6
175.44627	1.4
178.07701	2.1
181.10132	2.3
190.07863	1.7
191.08667	1.7
193.10089	4.9
204.09322	2.8
205.10112	9.0
219.11823	2.2
233.13313	5.2
237.10934	1.5
250.04008	2.0
311.28085	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05490	1.4
79.05490	2.7
81.07030	1.9
91.05469	36.7
95.77809	1.7
100.11235	16.2
103.05453	2.4
105.07023	100.0
115.05444	3.2
143.08551	2.7
144.67647	1.8
167.08546	3.8
193.10176	6.4
205.10170	8.4
207.11736	2.5
219.11501	2.2
229.84534	1.9
233.13275	3.8
246.04393	2.0
279.97351	2.2
311.28122	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.58147	4.7
54.71193	4.3
55.05492	24.0
57.04172	4.4
58.42743	4.6
64.21014	4.5
67.05480	9.8
69.07047	11.5
71.08613	21.2
79.05464	7.7
81.07045	15.6
83.08610	9.1
83.28048	5.4
86.06367	4.4
91.05463	10.0
91.63868	4.7
95.04941	5.9
97.10152	11.5
99.08080	5.8
100.11260	38.6
107.08615	10.1
120.11260	5.1
121.06465	8.2
121.10152	7.3
125.09626	8.7
149.48129	6.1
209.11803	11.9
237.11336	12.0
275.19952	7.5
293.21097	100.0
309.12140	6.1
311.28079	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12073	5.2
51.16479	5.0
55.05502	9.2
58.76678	4.6
60.60911	5.3
60.73320	4.8
67.05502	12.8
69.07078	24.5
69.25348	4.8
79.05502	7.8
81.07069	17.5
91.05504	16.4
91.71037	6.4
93.07054	32.8
95.04984	22.9
95.08637	24.8
97.41777	5.2
100.11256	100.0
100.11855	8.6
101.54710	5.4
105.07069	16.4
107.08603	7.9
119.08546	12.5
121.06574	5.8
121.10168	17.6
123.08102	8.7
133.10141	9.5
135.11763	5.8
145.10202	9.2
157.10144	8.8
159.11742	10.7
182.99098	5.5
207.31290	6.2
218.78548	6.9
260.93341	7.8
310.34119	6.3
311.24475	5.8
311.28143	26.9
326.63379	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	2.6
58.06590	2.6
63.81708	1.5
70.06578	2.8
72.08144	4.9
83.04967	4.2
84.08144	5.2
85.07241	1.6
85.07658	10.1
86.09703	4.4
90.76141	1.5
91.71075	2.3
93.24474	1.6
97.02941	1.8
98.08406	2.9
111.09267	1.8
126.12800	2.4
132.61021	1.9
139.07388	4.7
140.14275	3.3
151.12289	2.1
153.13937	4.5
154.08067	1.9
168.14934	8.6
170.16586	2.1
180.14969	6.1
181.06424	2.7
196.14432	100.0
224.21230	12.1
234.19717	2.9
252.20677	33.9
311.27975	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	40.1
60.43703	12.9
69.07059	44.2
70.06585	38.1
75.58357	15.3
79.38538	16.7
84.04468	20.6
95.06074	42.3
100.11248	47.2
115.07564	75.9
126.02475	32.0
127.03249	100.0
130.23573	16.1
133.08606	31.2
147.09135	62.7
176.09418	18.7
181.07985	15.6
209.07483	77.5
268.14954	90.6
298.71341	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	10.8
57.64108	4.5
65.21301	4.9
67.61466	4.4
72.07786	5.1
91.05467	100.0
91.05957	6.5
99.89486	5.5
100.11253	11.7
107.05009	9.7
108.08125	7.4
113.55125	5.1
256.13354	16.9
272.77875	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.05473	1.6
55.89425	1.1
57.07066	15.2
69.07055	2.7
71.04993	1.7
71.08606	3.9
71.32526	1.1
74.06069	5.3
83.08573	1.3
88.07616	14.8
102.09184	7.7
116.10722	3.4
130.12260	2.6
188.36902	1.6
200.57584	1.5
256.26343	31.7
297.29034	2.0
312.32587	100.0
313.33029	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
54.46776	8.0
57.07064	19.9
60.08147	8.4
72.55501	7.4
78.70595	7.9
92.64106	9.3
165.28719	8.5
241.36264	10.0
312.32617	100.0
312.35858	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3256
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
57.07063	5.6
60.93436	1.6
69.30635	2.0
71.08625	3.3
72.04498	5.6
76.54819	1.9
76.92776	1.9
91.56712	2.3
102.09159	4.5
116.10739	5.5
130.12233	2.2
146.10770	2.0
176.14221	2.2
271.83960	2.5
312.32547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99223	4.4
53.00299	5.4
55.05502	12.2
57.03429	34.9
57.06802	5.6
57.07067	98.2
60.18287	4.5
65.16532	4.3
67.05500	27.5
69.07050	18.0
71.08617	66.8
81.07047	23.2
83.08619	17.0
85.10178	31.2
86.81805	5.2
94.42661	4.7
95.08592	37.1
97.10159	7.8
109.10146	16.4
123.11713	5.4
149.38477	5.5
161.57721	5.2
239.23650	9.2
313.27335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92313	2.3
53.00288	5.5
55.05488	11.3
55.53181	2.0
56.09035	3.0
57.03166	3.5
57.03426	36.0
57.07067	93.6
62.32658	2.4
67.05488	19.5
69.06733	2.6
69.07050	14.3
70.62399	2.6
71.08257	3.7
71.08617	54.3
71.22639	2.4
73.70338	2.4
79.25661	2.5
81.07050	22.3
83.08609	17.3
85.10172	29.0
89.06019	5.9
93.47724	3.3
95.08592	29.3
97.10165	8.8
102.87697	2.6
104.36357	2.9
109.10123	13.9
114.43642	3.3
123.11692	6.7
126.92117	3.5
192.33707	3.0
210.37248	2.8
239.23665	5.1
257.24945	3.2
313.27332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67397	3.7
52.99411	3.3
54.62954	3.1
55.05503	11.6
57.03431	28.8
57.06806	5.2
57.07070	83.8
57.45680	3.3
59.66861	3.5
67.05482	20.1
69.07043	11.9
71.08617	57.1
71.14558	3.4
71.57340	3.9
72.80917	3.8
81.07056	26.8
83.08604	18.0
85.10166	25.4
95.08589	28.2
97.10155	5.7
109.10159	13.8
116.51601	4.4
123.11674	5.7
173.01379	4.0
239.23686	4.7
257.24860	5.4
313.27332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66928	4.0
55.05503	12.5
56.25306	3.7
57.03428	28.3
57.07071	94.7
66.49263	4.1
67.05499	22.0
68.57121	3.8
69.07056	18.7
70.97521	3.8
71.08623	60.6
81.07055	31.2
83.08608	17.0
85.10184	38.9
91.71577	6.2
95.08603	26.6
97.10160	11.4
103.19642	4.2
105.23477	4.1
109.10159	14.8
111.11755	4.4
120.94675	4.9
127.89825	5.0
184.59286	4.3
313.27332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13505	1.7
56.28420	2.1
57.07071	13.4
58.06576	4.1
62.06089	5.3
64.64307	2.0
71.08605	6.5
72.08142	4.5
78.35204	2.3
79.30196	2.0
90.61327	2.1
96.85110	2.1
97.06535	2.2
111.57082	2.4
139.13287	2.3
174.18527	5.7
202.21667	7.9
258.65863	2.8
314.34140	100.0
315.19318	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40305	5.7
70.61448	5.2
71.08627	5.5
72.08161	5.7
73.51070	4.6
91.70988	9.4
98.97575	17.1
105.06997	9.2
107.07359	10.5
116.98647	10.3
117.07028	8.0
118.41376	6.3
119.08606	6.0
122.09648	100.0
136.07565	17.6
140.00166	9.2
148.80287	7.2
150.09132	38.0
151.09900	10.0
172.64511	5.4
178.27505	5.6
181.02971	8.0
221.51794	6.2
274.12836	9.1
287.14050	7.5
297.14722	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	34.7
59.84956	7.6
60.08157	18.3
66.83488	7.6
71.07373	17.6
72.08147	8.0
76.80124	7.4
86.09691	100.0
95.08573	13.2
98.97577	8.8
104.10714	35.7
113.86543	8.0
124.99995	28.4
158.01256	14.8
166.78960	10.2
178.45352	8.7
184.07370	31.1
240.09889	45.6
265.85599	10.2
282.44141	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76955	6.8
67.05468	15.6
68.46614	7.4
70.06573	35.2
72.08132	10.6
79.05482	24.4
81.03413	11.2
81.07039	33.8
82.06603	8.0
84.04499	100.0
84.08141	13.5
86.09714	10.4
89.88439	6.7
91.05473	13.3
94.06552	21.7
95.08596	19.4
98.97545	12.3
105.07019	21.0
107.08601	55.5
108.04495	20.1
109.06488	11.0
110.06023	15.9
113.30701	8.8
122.09676	12.3
123.08052	10.2
130.05011	14.1
132.08195	11.4
133.06512	18.1
150.09138	58.7
151.07564	9.5
168.10214	40.5
180.87210	7.6
186.11234	63.9
192.24281	9.8
215.46738	8.2
216.10098	9.8
234.11183	19.3
252.12263	23.1
297.14532	25.6
298.12723	14.0
315.15640	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45538	0.6
63.40455	0.8
65.03916	2.0
67.05477	0.8
70.00197	1.0
73.05034	0.9
85.88044	0.9
91.05470	41.6
91.59212	1.0
115.05446	4.1
117.07012	100.0
164.07855	1.0
235.92136	1.1
243.77544	0.9
305.16891	0.9
310.34116	0.9
312.34714	1.0
314.93277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23301	2.4
68.82179	2.6
70.02944	4.7
70.06573	8.9
71.06321	2.8
72.08146	57.0
82.06556	5.1
84.04500	19.8
84.08149	2.8
86.09695	14.5
91.05458	5.2
97.06519	3.2
98.02411	10.5
98.06082	3.4
99.09232	3.4
101.30440	2.7
110.06014	4.0
120.08095	100.0
121.06448	3.1
121.26564	2.7
127.98505	3.3
132.10210	5.5
184.05966	5.5
204.50627	2.9
217.09744	7.7
223.82967	3.4
315.18207	41.6
315.21863	4.9
329.76941	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83450	5.2
52.30527	5.7
56.96556	12.9
58.06618	8.4
60.08160	100.0
60.10314	5.9
63.08367	6.7
64.59197	5.4
68.98447	6.6
69.07052	26.9
80.00558	5.9
80.58480	5.9
81.07054	8.7
81.40672	7.6
86.09699	43.3
98.97580	16.7
102.05584	17.5
116.98640	12.9
126.83114	6.8
140.00172	10.1
158.01227	9.3
160.13245	10.1
181.02800	14.4
287.36411	7.4
315.26352	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.59066	3.1
60.08144	4.0
69.07040	5.1
70.06586	4.1
70.99001	3.6
72.72253	3.9
75.70841	3.3
84.08172	4.2
86.09700	100.0
86.98708	4.0
130.06538	4.8
132.10249	5.1
157.13373	12.7
185.12843	5.9
203.14005	4.1
213.01016	4.0
272.65479	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35847	1.5
53.00298	1.5
56.96547	2.0
57.07071	21.3
61.71096	1.6
70.06591	23.3
71.08624	11.2
85.10159	7.3
88.07623	33.7
91.05470	3.8
91.71606	2.0
97.02859	1.7
98.97571	1.8
106.08669	41.3
114.09742	1.7
152.33545	2.0
189.85805	1.8
244.02443	2.0
272.55621	2.1
284.61603	2.2
316.32092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44256	2.5
52.03587	2.4
55.05502	5.2
56.05023	5.2
57.03424	5.6
60.04527	4.3
60.05633	3.9
66.23153	2.7
67.05490	26.1
69.07043	2.9
70.06594	20.9
72.08144	6.4
72.93703	2.7
76.38493	3.8
79.05462	3.8
81.07050	13.6
82.26852	2.8
84.04498	82.8
84.08144	3.1
86.09698	5.4
91.05507	3.6
91.23895	3.2
93.07037	9.4
94.60796	2.9
97.06533	19.0
107.08600	18.4
109.10149	100.0
110.06047	10.0
110.09667	4.5
112.07609	3.0
120.08088	19.9
121.08447	10.0
124.11265	9.8
125.09640	9.3
128.10710	8.0
130.05020	10.0
134.09650	12.5
135.08069	10.7
152.10733	28.8
170.11755	38.1
188.12807	99.6
190.12286	9.3
208.13284	6.2
236.12712	8.0
243.91901	3.6
254.13795	17.3
299.16168	6.7
300.14410	14.5
301.79929	3.6
317.17111	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
54.33193	7.0
55.05495	21.8
57.07062	18.5
60.46725	7.3
65.66521	7.8
67.05502	80.9
79.05501	10.8
81.07050	32.7
81.42286	8.4
87.04449	14.9
91.05479	10.4
91.71017	16.7
93.07050	22.0
95.04958	51.8
95.08610	25.0
96.18221	8.9
105.07067	20.5
107.08609	41.5
109.06544	26.5
109.10160	100.0
119.08583	57.4
121.10158	11.3
121.43842	8.4
123.08073	25.4
133.06625	8.3
135.08089	12.7
137.09613	67.2
145.10144	10.6
147.11629	11.6
151.07495	59.4
155.29974	9.3
189.12666	14.1
207.13824	22.8
244.37883	9.5
317.21091	62.5
323.66977	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88906	25.9
57.07042	32.9
59.87627	31.6
65.77856	28.9
67.05511	41.6
69.07035	42.1
81.07039	70.0
91.05482	48.7
93.07027	53.9
95.04937	45.2
105.70125	31.6
106.38905	32.4
107.08595	79.4
109.06545	52.4
109.10158	86.3
111.75285	32.6
114.88264	35.6
119.08571	94.4
123.08092	45.6
137.05977	70.8
137.09656	100.0
151.07513	40.1
185.49065	39.1
218.86971	37.6
317.21396	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Topsentolide A1
Peak:m/z	Relative Intensity
52.28879	21.0
55.05473	25.3
56.96531	28.9
61.90023	22.3
62.26850	23.9
67.05487	97.8
67.54826	24.6
69.07048	26.7
70.61124	24.7
71.08609	29.1
71.79391	25.8
73.74348	26.4
81.07047	65.7
83.16357	28.9
87.04500	28.8
91.05478	32.5
93.07016	55.1
95.04981	43.5
95.08627	32.6
96.74644	24.7
105.07057	37.4
107.08561	38.9
109.10156	90.6
114.03984	26.4
119.08578	49.7
123.08089	26.5
137.09618	69.1
142.43909	27.1
151.07555	59.7
189.12744	42.7
208.54417	31.0
223.21146	30.7
317.21048	100.0
318.30228	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
56.82269	16.2
57.07043	23.4
67.05494	65.1
74.11100	19.3
75.44171	17.8
81.07054	67.1
87.04462	39.9
91.05537	19.4
91.78763	18.2
93.07036	32.4
95.04970	37.6
107.08599	58.9
109.06528	19.3
109.10146	100.0
119.08566	62.8
123.08041	28.4
128.35959	16.8
137.09653	56.8
145.10175	21.3
151.07559	30.4
161.13362	20.1
175.30312	19.2
189.12732	43.0
207.80873	23.1
220.05751	21.7
299.19949	32.2
316.28629	24.1
317.20987	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25291	0.6
57.07044	0.8
58.06583	0.6
58.47222	0.6
60.04506	2.2
65.03927	1.5
70.06586	1.3
77.76591	0.6
88.07630	3.3
91.05471	100.0
91.71641	0.8
110.27792	0.7
116.30352	0.7
119.07603	0.7
121.81145	0.8
132.08078	0.9
195.20920	0.7
240.08350	1.2
256.26321	1.0
300.29013	0.9
317.32349	1.2
318.29895	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1371
Annotation	Triticonazole
Peak:m/z	Relative Intensity
56.96561	5.0
57.07068	4.5
60.08151	7.8
62.45597	4.3
66.43095	3.7
66.53622	4.4
67.05492	6.9
68.58761	4.4
69.03422	7.1
69.07062	48.1
70.06561	5.3
72.08125	4.4
74.00648	10.9
74.57420	4.5
76.61957	3.9
84.04501	4.6
86.09710	26.1
88.03980	7.7
93.07034	9.5
95.08591	15.2
107.08595	7.6
111.11728	43.7
121.10125	12.0
135.11662	10.7
137.09686	6.1
139.11206	7.5
159.14928	10.0
179.10629	8.7
222.79335	5.7
229.69888	5.2
251.31877	5.6
254.12108	27.5
272.13174	11.9
274.15149	5.5
283.10019	8.8
300.12534	29.7
301.11087	9.2
311.40277	6.1
318.13651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1812
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
50.34123	2.7
53.02182	3.0
54.07266	2.4
56.05040	3.0
57.07081	3.8
60.08159	10.5
67.05515	5.4
69.07054	24.2
75.75410	2.9
76.32825	3.4
81.25526	2.8
85.02875	4.2
86.09698	100.0
86.10196	6.9
120.08316	3.1
130.35936	3.4
144.08211	3.6
146.06062	7.3
159.09158	4.2
159.14905	16.8
188.07076	22.6
200.64999	4.0
205.09674	22.8
285.80286	4.0
318.18167	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2025
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
51.62326	2.7
55.05496	10.6
56.96564	3.5
60.04514	20.0
60.08152	5.4
61.76194	2.5
68.56460	2.9
70.06577	8.8
72.08147	100.0
86.09708	25.7
110.95224	3.2
117.93406	3.2
132.10213	15.8
132.55077	3.4
138.17529	3.7
159.11299	14.3
173.12904	5.4
187.10823	15.1
219.13373	18.0
318.18054	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2788
Annotation	L 657398
Peak:m/z	Relative Intensity
54.96851	0.7
55.04821	0.7
56.89994	0.9
57.07051	1.4
57.21629	0.8
65.03921	2.5
72.91213	0.7
75.74364	0.9
91.05473	100.0
102.35204	0.9
114.25124	0.9
132.08066	1.1
255.98814	1.1
297.27106	1.1
309.98947	1.0
318.27866	25.1
329.68381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
51.87414	2.2
57.07071	13.0
58.06585	4.4
58.60347	1.9
61.94635	2.2
70.06577	30.6
71.08608	7.4
74.87444	2.2
88.07118	2.5
88.07615	35.4
102.09168	14.2
184.49104	2.6
256.26324	42.0
300.28806	4.5
318.29977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	12.6
62.08848	1.7
70.06583	27.3
71.08628	4.9
88.07623	26.3
106.08674	3.1
114.09185	8.4
118.08664	3.9
132.10201	24.9
150.11244	19.1
203.91484	2.2
274.27377	5.6
304.93237	2.2
318.29999	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2265
Annotation	Mulinenic acid
Peak:m/z	Relative Intensity
51.98183	6.2
54.49342	6.1
55.01876	7.3
55.05497	34.0
56.96555	43.3
57.07067	10.8
67.05492	100.0
69.03416	11.1
69.07062	21.5
71.08617	97.3
73.34942	6.4
79.05486	37.0
81.07056	76.7
83.04948	9.0
83.08599	8.8
91.05474	56.4
93.07046	26.8
95.04961	14.1
95.08606	33.7
97.02900	30.9
97.06546	9.3
99.08080	50.0
105.07019	32.0
107.08624	16.6
109.10160	15.1
116.98569	11.3
117.07037	36.8
119.08591	30.2
121.10075	9.0
124.62886	6.9
129.06998	13.8
131.00153	20.5
131.08583	11.8
133.10136	8.7
140.00238	11.3
141.06979	11.9
141.12752	8.4
143.08594	14.6
145.10095	11.1
149.01256	49.4
151.11174	15.4
155.08604	8.9
161.09631	9.5
167.02290	9.9
169.10094	18.5
172.02837	65.9
181.02731	7.5
185.13159	15.3
187.11183	12.2
189.16571	7.4
190.03960	14.8
197.14088	7.4
200.02278	8.2
203.14217	11.9
205.12218	16.7
213.05547	9.6
217.15886	10.5
270.00162	9.0
278.14523	15.3
298.66025	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	42.8
57.07071	33.7
67.05508	34.4
71.08631	38.8
81.07084	62.8
88.07648	45.8
91.05499	74.4
91.70998	41.4
98.97624	80.7
103.03650	31.5
103.92505	35.8
116.98653	43.5
117.07087	51.0
119.95653	36.6
129.07007	43.4
141.42412	33.7
164.33763	37.0
174.45567	40.3
181.08458	37.6
200.02451	51.0
205.12219	50.5
257.72665	38.2
318.30212	47.8
319.30438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
56.96546	2.5
58.50497	2.5
65.89695	2.9
67.00118	2.7
67.05499	43.6
67.05849	5.3
69.07066	7.5
71.04983	100.0
71.05383	5.0
76.02208	4.0
79.05483	41.3
81.07050	33.9
83.04975	9.3
85.06519	11.3
86.99058	6.3
87.02680	6.7
88.03984	22.0
90.28595	3.0
91.05473	21.5
91.71233	2.4
93.07037	40.9
95.04966	4.4
95.08647	3.7
97.06525	32.6
98.97562	4.3
105.07036	5.2
107.08566	18.1
109.06551	2.9
109.10152	5.4
113.04257	4.3
117.07016	10.7
119.08597	11.5
121.06492	3.6
121.10125	40.2
122.02754	4.1
133.10109	21.2
135.08054	3.3
135.11702	35.8
145.10129	23.2
151.11227	13.3
163.11169	36.1
181.12227	38.2
195.43219	3.5
199.13306	7.5
213.09447	7.8
215.10959	7.3
222.60719	3.5
231.10194	3.1
246.94162	3.8
256.45657	3.6
272.55130	3.3
281.44000	3.6
303.12595	17.8
320.15210	14.8
340.16931	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	4.9
60.02066	0.9
68.06339	1.0
70.06578	44.9
72.08148	3.3
77.61639	1.1
84.04497	1.6
86.09692	2.7
88.07619	100.0
93.05545	1.3
98.06052	3.6
109.19438	1.2
110.07087	1.1
116.07163	1.2
116.98604	1.4
120.08087	1.7
130.06509	1.7
136.07527	1.5
144.08121	1.8
146.06029	2.1
188.07034	4.1
200.02312	1.8
205.09718	2.2
320.15927	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87527	7.7
57.74496	9.1
60.08154	53.5
62.47946	8.9
69.03416	100.0
69.07040	15.9
70.06583	23.7
81.03432	15.2
81.07014	20.8
86.09713	10.5
91.05457	16.9
93.07005	17.0
97.06532	17.1
117.14791	9.3
120.08082	17.9
121.10176	13.7
129.10175	12.8
131.89238	11.9
197.03543	11.6
248.47084	12.6
271.71997	12.4
321.21744	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75061	2.5
56.05029	17.5
56.96558	4.3
58.06595	25.5
58.99597	3.9
59.07373	23.8
60.08156	88.6
69.03434	4.1
69.07058	19.8
70.06604	10.6
71.04985	5.9
72.08117	4.4
76.02244	7.5
80.87119	3.3
84.04499	38.4
85.02907	8.2
86.09679	6.0
96.45830	2.9
97.06520	3.7
100.04008	11.6
102.05564	10.5
103.02158	100.0
103.02800	6.3
119.81599	3.5
122.02711	24.5
125.02348	24.7
130.05043	6.8
157.28329	3.6
159.07779	4.1
161.67032	3.4
175.04289	7.8
192.06873	24.1
200.02425	3.6
225.62555	3.6
257.18591	85.7
311.88235	3.7
321.11182	5.4
321.18381	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73508	1.3
52.57408	1.1
54.17741	1.3
57.07053	2.6
58.06600	15.1
59.07359	2.9
60.08155	48.5
61.64193	1.2
66.10155	1.2
67.11710	1.4
69.03407	2.7
69.07045	7.0
74.02029	1.7
74.02431	24.6
79.05460	1.9
83.04951	2.7
86.09703	20.1
88.03973	3.0
88.13213	1.4
91.05453	1.7
91.71700	2.7
103.05463	22.9
104.51352	1.4
105.06322	1.9
105.07024	36.6
112.07591	6.9
130.08626	16.3
131.04941	8.8
131.08524	1.6
132.08151	1.7
132.10202	3.6
138.39868	1.6
165.24422	1.5
188.14349	2.7
216.13818	4.4
220.13307	3.7
230.04643	1.5
234.14763	4.6
262.14273	2.7
269.19431	1.7
321.21692	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98367	1.7
58.02090	2.1
58.06577	5.1
60.08156	100.0
62.55184	1.9
62.87259	1.9
64.28815	1.7
69.07057	18.4
83.85619	2.1
91.71676	2.2
103.05502	2.2
106.20687	2.0
106.32986	2.2
120.08095	48.8
128.04951	2.4
135.69218	2.3
146.06001	25.1
166.08624	10.1
171.00070	2.5
172.66481	2.2
177.79025	2.3
198.14571	2.5
207.10620	2.9
310.14960	2.4
321.21683	81.2
321.25534	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09014	0.9
54.37865	0.9
55.01865	0.9
58.06596	18.9
59.07372	2.9
60.08158	82.2
69.07060	17.6
81.93257	0.8
88.80287	1.0
93.07044	1.9
97.06525	2.8
103.05460	3.1
105.07033	1.3
120.08102	57.5
131.04929	1.7
146.06012	9.6
166.08597	8.6
166.15692	1.0
173.90636	1.0
174.09148	4.5
209.71658	1.1
216.13879	1.6
225.40761	1.0
225.96298	1.3
275.21338	2.0
321.21704	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	15(R)-HETE
Peak:m/z	Relative Intensity
51.28555	28.7
66.10908	34.2
67.05495	90.0
69.07076	39.8
74.81239	32.3
79.05453	49.0
80.94843	70.0
81.07031	100.0
91.05459	61.7
93.07016	71.4
105.06996	38.3
131.08521	50.2
143.76044	42.8
172.31409	34.8
199.42165	38.2
205.15907	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol
Peak:m/z	Relative Intensity
53.71114	5.3
55.05493	8.5
56.96560	5.4
57.07068	5.2
65.31590	5.7
67.05493	13.0
69.03425	7.5
69.07051	12.6
79.05487	6.5
80.33395	6.0
81.07050	37.3
82.91212	5.9
91.05467	19.7
93.07042	25.8
95.08606	37.5
100.30053	5.8
104.73582	5.7
105.07008	60.5
107.08590	33.9
109.10162	20.7
111.13338	5.4
112.40662	5.3
113.66280	5.6
114.23749	5.2
119.08595	20.9
119.69089	6.8
121.10134	22.1
123.11674	13.1
125.09611	36.4
131.08554	34.9
133.10081	30.9
143.08499	14.9
145.10117	50.0
147.11685	9.4
157.10159	15.2
159.11707	14.3
161.13298	14.6
169.10126	11.0
171.11739	14.9
173.13300	11.9
175.14787	11.2
175.65172	6.5
183.11696	8.0
185.13252	9.8
213.16479	13.5
215.17998	7.4
225.16080	6.4
227.17909	9.3
229.15971	7.1
239.17941	10.5
241.19597	6.5
257.18765	7.9
257.22879	11.2
265.11743	7.5
267.21072	30.9
279.69849	7.2
285.22125	100.0
303.23245	17.8
307.14523	6.8
313.28799	7.7
321.20529	13.0
321.24176	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52544	0.9
57.03411	1.0
60.08123	1.2
61.02907	1.2
63.24414	1.0
65.29395	1.3
69.03415	4.6
70.06583	1.8
70.46236	1.1
79.01842	8.8
81.03423	1.8
84.04513	3.1
85.02894	11.4
87.93838	1.1
97.02871	10.1
103.02172	5.1
104.02467	1.7
121.85531	1.2
125.02348	100.0
127.03912	1.4
143.03386	26.6
145.04926	2.2
162.59274	1.2
163.96881	1.3
166.05051	1.7
167.47960	1.3
175.94788	1.4
219.54567	1.5
240.53645	1.3
269.06558	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	8.5
67.05488	10.2
69.07058	4.6
79.05470	14.5
81.07048	11.0
83.72513	4.1
84.04486	48.4
84.93730	4.2
91.05471	53.9
93.07053	8.8
95.04922	5.2
95.09602	4.0
102.05541	16.7
105.07021	86.7
117.06994	4.8
119.08570	41.3
129.07013	14.4
130.05008	17.8
131.08551	19.6
133.06516	8.3
133.10135	64.3
139.04704	5.6
142.07758	7.8
147.11661	41.9
148.06062	22.8
157.10138	14.5
168.06522	7.9
175.11176	100.0
214.07153	10.0
258.56931	5.7
322.16345	8.1
331.34982	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21201	6.1
51.52888	6.2
54.29484	6.5
67.05484	20.6
68.82570	6.3
70.87592	6.5
72.30444	8.1
72.58912	6.9
75.81683	8.4
79.05466	11.7
81.07051	14.3
82.83204	7.3
84.04488	57.0
91.05455	69.9
93.07070	9.6
102.05528	23.5
105.07023	93.9
119.08578	44.2
129.07047	19.1
130.05017	18.2
131.08574	26.6
133.06479	9.1
133.10112	62.8
147.11642	50.4
148.06013	19.1
157.10098	24.3
168.06636	16.8
175.11186	100.0
176.49812	9.6
194.13553	8.5
202.28151	9.1
325.64447	8.4
344.04221	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76147	7.2
56.96581	8.1
58.06586	14.4
72.08159	12.2
79.40775	7.1
86.18117	7.1
98.97601	13.3
106.35546	8.0
116.98649	8.9
120.14732	7.3
132.10181	50.1
140.00229	12.1
170.07091	7.7
230.21153	49.4
322.25897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92998	36.3
60.56964	35.2
73.35657	34.9
78.77875	35.9
81.07018	43.3
91.05443	48.9
95.08530	60.1
101.59100	39.8
102.87281	36.2
147.34331	41.9
183.31570	43.8
190.27380	41.3
193.65315	47.6
322.27448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77033	1.7
55.05503	5.6
58.06596	13.0
60.08154	100.0
61.69030	1.7
62.38923	2.0
69.33717	2.0
72.15517	1.8
72.81796	1.9
83.04960	2.6
91.05476	6.7
91.71053	5.3
99.01688	2.2
107.04951	4.0
114.12791	24.4
119.04935	8.2
123.04410	5.3
129.62437	2.2
136.07564	27.7
147.04311	2.7
162.05504	37.6
165.05505	8.3
178.86375	2.2
182.08089	4.3
182.85710	2.2
183.44698	2.2
208.06082	3.4
278.08591	2.5
310.73431	2.5
323.19635	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90008	11.5
56.35177	9.4
56.96561	20.1
57.03421	17.6
57.07087	12.6
67.05489	25.6
67.90439	11.7
71.08376	8.9
71.08631	100.0
79.47858	11.4
81.07063	31.0
83.04997	11.2
84.96519	11.4
85.06555	11.1
91.05487	21.6
98.97594	45.8
99.08101	70.8
99.08615	11.4
105.07043	14.8
109.06548	17.9
116.04209	12.7
116.98615	55.1
131.52934	11.3
134.99687	43.5
140.00197	28.4
149.09576	15.1
150.23749	12.5
151.11176	46.3
158.01244	28.7
181.02821	53.1
183.10162	35.5
192.66142	13.5
197.40152	13.7
205.02914	13.7
207.85699	12.5
247.17140	16.1
282.01389	45.0
291.92288	14.5
300.02414	31.3
305.48224	14.9
323.03946	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40929	17.2
56.96539	29.1
62.51940	17.3
65.03922	19.3
66.49512	18.7
67.05505	47.4
69.37646	16.8
73.73389	22.0
74.29511	17.1
79.05468	41.6
81.07055	63.8
83.04964	22.7
83.08587	20.9
91.05463	69.4
93.07062	70.4
95.08617	34.1
98.97577	93.0
104.86516	19.8
105.07032	75.1
107.08586	32.1
109.70010	20.3
111.55874	21.6
116.98635	79.4
119.08560	53.5
121.10155	37.7
131.08592	36.7
133.10139	100.0
134.99615	23.6
140.00223	66.9
147.11691	70.3
158.01237	45.4
172.64040	21.2
180.98967	20.2
181.02873	64.9
213.16447	41.3
231.17485	60.9
282.01407	48.2
300.02444	30.1
323.03931	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	23.5
69.07055	14.0
75.18343	13.2
79.05488	17.2
81.07055	28.7
81.98704	14.7
87.84875	12.8
91.05469	26.5
91.71620	21.5
93.07010	25.6
95.08578	22.2
98.09691	31.0
98.97601	16.1
105.07016	25.5
107.82775	15.3
112.34486	14.2
118.43711	12.8
127.97847	14.9
144.36563	18.8
161.13217	15.4
178.15846	20.4
196.17061	26.4
218.05475	15.9
288.29504	19.8
305.22104	20.2
323.23169	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2579
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
52.59711	2.1
53.03961	2.3
53.41010	1.9
55.01865	2.6
55.05501	12.0
55.97649	2.3
57.03420	3.0
57.07053	2.8
67.05495	32.3
69.07058	13.6
71.08627	24.2
79.05484	22.3
79.75339	2.2
81.03407	7.3
81.07053	39.7
83.04990	5.6
83.08626	8.5
91.05475	11.0
93.07037	41.3
95.04949	2.7
95.08597	28.2
97.06544	4.4
99.08079	9.2
99.65739	2.3
105.07021	7.8
107.08602	26.2
109.10159	10.8
119.08556	6.8
121.10135	22.2
133.10172	6.4
135.11691	17.4
147.11740	7.0
149.13248	6.4
179.31985	3.0
207.17445	100.0
305.24780	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09006	1.9
60.36613	1.6
62.12371	1.6
86.13615	2.4
89.03897	9.9
93.87965	2.1
114.12739	1.8
117.03382	21.1
134.03670	2.1
145.02835	34.5
149.05945	11.1
158.05997	7.0
177.05457	100.0
186.05493	28.2
310.71011	2.4
312.92642	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57719	1.6
53.57113	1.4
58.62617	2.1
59.11958	1.6
60.35954	1.5
73.29417	1.8
77.03930	1.7
79.05488	11.9
89.40895	2.2
95.04990	4.9
103.05498	9.1
105.07025	75.3
107.08585	3.0
114.12823	4.0
116.64063	2.2
116.98696	2.5
133.06487	45.9
135.08047	100.0
145.10526	3.1
151.07535	20.5
219.03516	2.7
279.17752	30.7
301.02615	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.01974	1.2
79.05509	1.2
91.05469	1.7
91.09507	1.1
95.15844	1.3
105.07025	3.6
107.08571	3.9
135.08041	100.0
195.47917	1.2
198.76840	1.3
215.22429	1.3
218.14728	1.5
225.49493	1.6
228.10623	1.3
249.01582	1.5
324.23532	12.9
325.93442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3258
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
57.07052	4.4
67.10130	1.3
69.07024	2.4
71.08592	2.0
72.08160	2.5
75.45596	1.3
84.08110	4.0
86.09696	42.1
94.33379	1.4
112.07584	1.8
112.91931	1.6
114.12819	9.2
139.79990	1.6
163.96277	1.8
202.23106	1.7
210.16000	7.5
238.22865	1.8
266.22095	2.1
324.32550	100.0
325.29529	3.8
325.33170	2.6
327.93576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1031
Annotation	Portulacaxanthin I
Peak:m/z	Relative Intensity
54.07883	1.5
56.05028	2.1
57.60277	1.5
59.74696	1.5
60.50652	1.4
69.03408	2.2
70.06595	3.5
71.16738	1.6
72.08167	4.1
75.92664	1.8
76.40953	1.6
81.09020	1.5
84.04492	59.4
85.02916	5.0
86.09708	3.0
95.04998	6.3
95.39507	1.6
102.05536	17.2
102.06097	1.7
104.05006	8.2
114.12804	31.6
114.64841	1.7
118.06516	2.9
130.04990	46.6
130.05875	3.0
148.06035	27.6
160.03937	2.0
171.07719	2.3
178.04985	100.0
210.16011	2.5
325.29556	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01868	10.3
57.03429	10.7
61.02913	6.5
67.59558	1.7
69.03416	40.9
71.05000	1.9
73.02900	7.1
77.02579	1.9
81.03408	5.2
85.02894	100.0
95.10926	1.8
97.02881	29.0
99.04461	8.8
101.02368	5.3
109.02876	7.4
115.03950	3.9
120.53288	1.9
127.03917	52.9
131.19832	2.1
132.49474	2.1
145.04947	28.0
163.06091	4.7
174.86586	1.9
267.80875	2.1
335.40146	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43602	6.2
57.62934	5.4
58.06581	7.1
61.44553	4.7
69.66185	5.9
70.82059	5.7
72.08145	6.1
85.02909	9.5
86.09701	6.7
89.16415	9.1
93.06971	5.8
93.14132	6.0
114.12801	90.9
117.32963	6.1
130.38190	6.8
135.79411	6.2
310.25708	7.2
325.18845	100.0
325.29602	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	54.8
69.07036	4.7
70.06596	24.5
72.08149	63.9
79.86716	4.1
84.04501	12.1
84.08118	14.0
85.02886	22.6
86.09698	26.2
91.05472	20.7
99.09183	4.1
99.51975	4.2
104.75808	3.9
109.50431	5.3
114.12800	100.0
119.04918	12.3
120.08091	4.8
127.03926	8.4
130.06514	17.2
132.08072	14.2
136.07605	41.8
138.10344	5.7
144.08084	10.9
147.04413	7.0
159.09163	60.8
175.11916	9.3
196.18056	5.1
197.39351	4.4
198.09146	9.1
210.16068	21.1
227.11783	17.4
227.15448	8.0
235.14490	7.5
266.22308	6.9
325.20187	50.1
325.23932	27.5
325.29553	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.2
58.06586	5.6
67.05449	4.0
69.07037	7.2
69.20313	3.3
72.08131	5.4
79.05466	3.2
79.47627	3.2
81.07021	5.6
84.08087	3.1
85.02883	13.6
93.07056	11.3
95.08587	5.2
97.06547	4.6
105.07055	6.2
107.08593	4.9
114.12799	100.0
119.08585	10.9
127.03898	5.7
131.08568	4.1
133.10121	5.0
143.08562	6.7
145.10132	4.1
157.10098	5.8
173.13271	7.6
210.15945	20.7
211.14775	4.1
251.94547	4.3
266.22314	8.1
314.05835	5.3
325.21863	8.0
325.29553	29.3
338.59723	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87511	4.1
54.01235	4.1
56.96550	6.8
59.90273	4.4
62.40504	4.4
69.50860	5.1
72.08143	8.5
91.05495	7.3
95.04960	9.5
98.97593	5.9
100.18325	5.9
105.07030	10.2
106.76137	5.0
107.08654	5.5
114.12802	100.0
131.16328	6.0
137.62677	5.9
140.00241	7.6
145.10175	7.5
162.37088	5.5
181.09911	5.9
210.16064	14.6
238.22980	7.3
244.29893	5.7
253.92949	6.5
278.72040	6.2
316.79623	7.3
325.21738	8.3
325.29642	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.8
60.19351	6.0
60.30252	5.5
65.36385	5.5
67.05495	72.9
69.07062	12.6
71.94982	5.6
72.08132	10.9
79.05479	48.7
81.07039	82.0
85.06508	6.7
86.37868	6.3
91.05459	28.7
93.07029	74.1
95.04961	14.5
95.08605	40.5
97.06521	8.2
105.07018	15.7
107.08587	43.1
109.10191	20.6
109.54162	6.9
114.12800	100.0
119.08569	20.3
121.10165	39.6
123.11716	15.0
131.08557	21.9
133.10159	15.2
135.08063	26.0
135.11688	43.7
136.08434	8.7
145.10159	15.3
149.13248	22.7
159.11717	16.2
162.39053	7.6
173.13205	8.8
205.19450	11.9
210.16028	18.6
215.18001	30.5
233.19017	47.8
266.22168	8.3
275.81247	7.4
309.04312	7.2
325.23859	14.4
325.29608	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	18.2
67.05493	87.9
69.07050	16.0
79.05486	54.0
81.07039	100.0
83.08576	10.2
86.10001	9.8
88.09042	9.4
91.05466	39.3
93.07043	61.4
95.08601	70.2
102.05129	9.9
105.07021	20.8
107.08566	27.2
109.10159	40.0
114.12836	13.9
117.06998	13.0
119.08595	17.6
121.10152	49.6
123.11747	15.6
131.08589	26.2
133.10135	28.5
134.63260	10.5
135.11688	49.4
136.08429	13.1
137.13248	15.1
140.55501	10.8
145.10149	18.2
147.11743	19.4
149.80679	10.4
164.96236	13.1
173.13263	17.0
215.17992	45.8
216.38277	11.2
233.19038	34.6
325.24005	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2369
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
52.50927	4.2
55.05503	11.9
56.96539	4.8
57.07093	5.7
58.06604	5.1
60.08171	4.6
67.05514	17.9
69.07068	17.4
71.08641	16.4
72.08155	10.4
78.85986	4.4
79.05492	5.2
81.07070	21.7
83.08599	6.4
86.09175	4.0
86.09734	17.5
91.05509	15.3
93.07065	15.7
95.04982	8.3
95.08614	10.2
99.08125	13.3
101.49111	5.7
104.10728	26.3
105.07011	11.9
107.08630	6.8
109.06542	19.5
109.10190	5.9
113.51247	5.2
114.12799	100.0
114.13523	6.5
119.08611	8.2
121.10184	5.5
125.00021	6.2
127.76004	5.2
131.08675	4.7
133.10168	5.1
140.00221	5.9
144.54070	5.3
163.14522	5.0
165.12807	25.3
167.87726	7.0
210.16138	15.5
212.18126	5.5
237.23430	5.9
238.42642	5.7
240.10043	7.1
242.73697	5.7
247.40005	5.4
252.12102	5.4
261.22421	13.6
289.21701	18.2
307.22693	54.0
325.29614	36.8
330.77539	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.7
56.96551	5.2
60.28497	3.2
67.05482	15.1
70.37651	3.3
72.07731	3.1
72.08140	15.5
75.72469	3.8
79.05485	10.2
81.07040	16.8
84.08125	5.3
85.02886	8.3
91.05501	7.3
93.07034	15.1
95.08592	9.2
100.12419	3.7
105.07020	5.2
107.08609	7.1
109.10124	4.8
114.12801	100.0
121.10170	6.5
134.78325	3.7
135.11731	5.4
145.10110	4.3
162.21513	4.9
166.79436	4.5
200.08009	4.3
210.15982	27.5
215.18033	7.2
233.18915	6.7
238.22829	7.4
248.49628	4.3
252.39836	4.6
266.22263	12.4
325.29550	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
50.64514	2.9
53.99775	3.0
55.05497	4.3
57.07059	15.9
57.07977	3.0
58.54855	3.7
67.05484	9.3
69.07046	13.1
71.08613	9.8
71.49528	3.4
72.08147	5.6
81.07047	16.4
83.08555	4.4
93.07033	9.7
93.34635	3.9
95.08595	15.9
105.07024	4.0
107.08611	5.9
109.10159	8.7
114.12800	100.0
121.10150	4.9
135.08066	4.1
135.11667	4.0
139.07451	4.5
166.65602	4.0
171.01450	5.6
210.16010	11.3
221.74542	4.2
237.18457	7.0
266.22293	8.2
307.26447	5.1
325.29541	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77000	1.7
52.64419	1.7
55.05499	2.3
57.07056	3.5
61.68472	1.7
68.72247	2.3
70.06577	6.4
72.08148	41.5
83.04956	4.5
84.08141	12.8
86.09714	12.2
96.08098	2.6
97.58974	2.1
99.27544	2.1
102.15055	1.9
112.07577	2.4
112.09975	2.8
140.14302	14.6
145.91400	2.1
153.08998	3.5
167.15482	4.5
168.13844	4.5
168.58029	2.1
182.16533	4.0
193.13329	2.5
194.16519	5.3
200.58598	2.1
210.15982	100.0
233.71227	2.3
238.22740	16.2
260.25977	2.3
266.22223	49.1
325.29553	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50833	1.4
53.90112	1.8
54.92762	1.7
57.07061	2.0
57.29398	1.6
70.06602	7.2
72.08148	35.4
72.08518	1.9
83.04963	4.1
84.08128	9.2
86.09722	9.1
96.08181	2.5
112.07636	2.7
118.14523	2.0
140.14323	10.5
141.21574	2.1
155.99608	2.1
168.13855	4.4
175.54262	2.2
182.16626	5.9
194.15047	2.3
194.16624	8.2
196.14558	2.2
210.16002	100.0
238.22734	19.0
266.22269	51.0
297.32825	2.1
325.29449	21.2
349.88892	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	7.2
55.49640	2.4
56.09180	2.3
58.06580	3.8
60.07860	4.0
60.08154	65.9
69.03413	4.7
69.07066	4.5
70.06583	6.8
72.08144	11.2
83.04981	27.4
84.04487	4.5
85.02894	8.8
85.04031	3.3
86.03248	5.7
86.09695	50.0
98.98460	100.0
110.07188	5.5
112.07567	14.0
114.12859	2.6
121.77627	2.8
130.08656	3.3
140.01108	9.5
164.43797	3.7
168.13843	12.4
174.99252	9.2
196.13394	3.9
227.21173	31.0
255.20660	3.9
267.20685	5.6
289.08981	3.8
312.03867	3.0
326.27933	75.9
327.06720	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3054
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05495	10.4
57.07054	3.8
62.05781	7.5
62.06080	100.0
67.05496	7.4
69.07056	10.0
81.07060	8.5
81.98613	3.6
87.16399	4.2
95.08591	9.8
95.95950	4.1
98.98458	38.8
113.37811	3.4
114.12806	11.8
115.13143	9.1
118.61560	3.5
135.28365	3.4
140.01073	6.7
170.46515	3.9
301.00528	4.0
326.30295	25.0
334.32498	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24729	3.2
54.51551	3.1
55.78711	3.6
56.84661	3.8
66.95265	3.8
67.05473	4.3
78.30134	3.9
81.07049	11.0
82.98772	4.2
98.98457	100.0
98.99071	9.1
114.12786	8.7
135.73572	4.4
140.01074	8.3
140.63121	4.3
144.79741	5.5
147.45877	4.1
153.00331	10.3
155.01877	25.4
162.04002	7.1
171.01381	91.5
172.01387	22.9
174.99228	9.7
178.03497	21.9
179.03506	6.9
194.02995	51.3
195.03017	17.5
238.09708	6.9
245.11911	4.9
260.11346	8.1
261.11398	13.0
276.67773	5.7
302.00781	4.6
303.18082	4.4
304.18210	19.3
327.12781	4.5
327.13586	5.7
327.17880	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35868	4.5
55.05498	18.7
57.07065	9.3
57.43819	3.9
64.63809	4.7
65.03943	7.7
67.05494	46.4
69.07058	18.6
79.05486	26.2
81.07037	44.6
83.04977	8.2
83.08585	6.4
91.05473	59.5
93.07035	99.8
95.04964	100.0
95.05556	10.0
95.08599	75.0
97.06523	18.3
98.98458	41.4
105.07033	92.1
107.08569	47.6
109.06516	13.2
109.10150	34.3
115.05420	6.2
117.07013	22.7
119.08582	73.6
121.06510	19.6
121.10134	27.9
123.08059	9.1
123.11767	11.0
124.15467	6.0
128.06230	8.8
129.07011	14.3
130.31335	5.9
131.08591	28.0
133.10107	52.0
135.08037	11.3
135.11757	9.8
137.09639	7.2
141.78671	5.7
142.07820	18.1
143.08563	25.0
144.09447	7.0
145.06474	8.1
145.10117	52.0
147.11641	13.8
152.71422	6.3
156.09375	10.0
157.10132	33.4
159.11667	40.6
161.09613	11.6
169.10136	13.1
171.11671	11.9
173.09663	7.7
173.13228	20.6
175.11127	6.1
175.14850	18.4
183.11693	5.8
185.13292	7.3
187.11288	7.8
187.14856	19.8
197.13281	17.5
199.14795	13.6
211.14836	9.9
217.15929	6.3
221.13469	6.1
223.14975	5.8
224.70157	5.8
242.89610	5.5
263.21835	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38327	4.5
55.05491	17.6
57.03430	6.0
57.07066	6.0
57.22487	4.2
57.25903	4.4
67.05225	4.7
67.05500	52.5
67.33058	5.6
69.07048	20.4
76.76231	4.7
77.73029	5.1
79.05480	34.9
81.07041	50.9
82.93704	5.8
83.08607	8.5
91.05470	59.9
91.71678	12.1
93.07043	100.0
95.04965	98.8
95.08607	85.2
97.06525	22.6
98.98460	71.0
103.05486	8.8
105.07035	99.3
107.08584	46.2
109.06517	22.9
109.10164	31.5
115.05444	6.5
116.38183	6.6
117.07002	28.4
119.08572	75.5
121.06500	21.9
121.10139	46.1
123.08017	7.3
123.11709	12.1
125.88293	5.1
128.06284	6.4
129.07011	9.8
130.07805	10.5
130.32741	5.4
131.08569	39.4
133.10136	55.7
135.08087	14.3
135.11693	11.0
136.57957	4.9
137.09659	5.9
142.07800	16.1
143.08578	23.3
144.09410	7.9
145.10104	44.6
147.11710	19.6
149.09589	6.5
151.65930	5.6
155.08591	6.8
156.09241	7.4
157.10130	29.3
158.10925	7.4
159.08040	7.1
159.11710	38.4
161.09584	16.2
169.10214	16.5
171.11670	17.4
173.13258	16.8
174.99254	8.9
175.14856	12.5
175.66765	6.9
183.11742	9.3
185.13322	16.4
187.14876	13.8
189.12773	6.3
193.10028	6.6
197.13339	13.7
199.14789	8.0
211.14824	8.6
229.16017	7.2
242.99194	6.3
282.68536	6.0
311.59039	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37880	8.7
55.05491	18.5
65.03890	8.4
67.05497	79.9
69.07056	33.8
71.09184	10.9
79.05484	35.7
81.07052	100.0
83.08618	19.8
88.74762	10.5
91.05489	25.1
91.71603	24.5
93.07034	26.8
95.08591	94.1
97.10154	12.0
98.98454	77.1
99.50739	10.8
105.07050	21.9
109.10168	32.4
109.41866	9.6
112.10332	11.1
119.08583	21.4
120.58622	10.9
121.10110	26.7
121.65318	10.3
130.82327	12.5
133.10078	26.9
134.28627	10.9
135.11646	18.5
137.13324	20.5
161.13423	13.9
213.53435	15.5
217.19594	48.1
230.26089	13.7
235.20663	22.5
271.30331	13.5
309.24503	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83646	3.7
55.05500	24.0
57.03426	15.4
57.07061	15.7
63.32769	5.3
67.05499	98.4
69.07060	43.0
79.05479	22.4
81.07044	100.0
83.08610	21.5
91.05479	18.2
91.71579	8.7
93.07018	28.0
95.08603	79.8
97.06497	9.5
97.10170	8.5
98.98464	77.8
99.08084	6.9
100.13969	4.7
105.07023	12.3
107.08585	8.5
109.10152	27.8
119.08566	17.3
121.10155	15.5
123.11745	13.8
127.11182	5.7
133.10162	17.5
135.11699	17.1
137.13289	10.5
140.01111	5.7
141.36717	6.0
147.11682	10.0
149.13312	5.4
151.14838	7.5
161.13257	10.3
174.99379	6.0
217.19505	43.8
233.95078	6.0
235.20543	33.5
309.24335	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34769	2.4
57.03437	6.7
57.07079	4.4
63.24942	3.3
67.05503	5.5
69.03424	5.0
70.06615	9.3
71.21776	2.7
85.02917	14.6
85.06534	19.8
88.63990	2.9
95.04990	4.4
97.02917	6.4
98.98458	73.4
98.99051	5.4
100.96761	2.7
103.07575	100.0
103.19408	3.3
110.81726	2.6
124.82517	3.5
131.07071	5.5
138.05486	3.5
140.01111	8.7
149.08058	21.3
168.54753	3.2
182.51543	2.9
208.53232	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87822	3.3
55.05511	11.5
61.35511	3.0
79.05491	4.8
83.08619	6.4
91.05523	3.3
97.10201	11.9
97.84129	3.0
98.19419	3.3
98.98457	100.0
105.07085	3.3
107.08597	15.2
125.09641	14.5
127.62752	3.0
140.01111	9.3
163.71193	3.1
174.99312	6.9
178.71176	2.9
189.11333	7.4
197.75983	3.0
217.46391	3.2
231.19217	3.2
248.01691	3.2
275.20148	10.2
285.53775	3.6
346.86447	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48018	1.8
54.02485	1.9
57.67791	1.9
66.98704	2.1
70.06572	4.5
70.10833	2.0
70.57733	2.1
72.08130	4.2
75.58943	2.0
86.09677	5.0
86.42421	2.4
89.90053	2.0
98.98460	100.0
130.38768	2.1
140.01019	10.4
169.37793	2.5
172.99036	3.0
174.99214	3.6
176.98705	2.9
192.34573	2.8
198.05258	3.1
201.03712	7.0
206.31319	2.6
206.67690	2.5
292.21671	2.6
329.15524	80.0
329.19284	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.8
68.75544	2.3
70.06590	11.2
72.08131	17.8
79.05473	2.1
84.04489	11.6
84.08120	3.9
85.02908	2.8
86.09705	6.2
91.05462	5.5
91.71686	2.4
93.07039	2.6
98.98463	100.0
116.07095	3.1
119.04941	2.8
119.08572	3.1
120.08144	3.0
120.98273	2.4
123.05204	2.3
130.04994	2.9
136.07565	14.3
140.01088	11.5
147.08058	3.0
152.94406	2.3
164.10745	2.6
174.99252	4.9
186.70946	2.5
198.83977	2.9
200.12791	13.8
329.17056	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96020	1.8
55.05495	4.8
56.47869	2.1
58.02518	1.6
60.05640	18.4
67.05486	13.1
69.03378	2.4
69.07059	3.0
70.06583	65.1
71.04965	10.0
71.08604	4.8
72.08138	12.2
80.65408	1.8
85.02883	5.9
86.09661	2.6
90.00657	1.9
93.07005	6.7
95.04960	2.2
95.08594	36.1
97.31200	2.1
98.98450	77.7
101.06027	2.1
109.10152	14.9
112.08714	12.1
112.44641	2.1
115.08654	3.3
116.07077	18.8
119.08569	7.9
126.84010	2.3
130.09746	6.7
137.09645	11.0
140.01076	6.9
154.12227	3.7
155.10655	40.0
157.10753	2.3
158.09200	14.1
160.44931	2.0
174.99266	5.4
175.11879	25.0
223.34003	2.7
251.17503	3.0
252.74777	2.4
267.21753	4.2
311.20776	3.1
323.62341	2.4
329.21793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52597	4.0
53.03926	4.3
55.05505	55.5
57.03424	13.3
57.07069	39.6
66.31771	4.2
67.05500	78.1
69.07062	69.3
71.08618	19.7
73.06557	5.1
73.76276	4.7
75.04459	6.0
76.80623	4.8
79.05477	42.7
81.07052	100.0
83.08609	65.8
91.05466	6.6
91.71653	9.7
93.07040	55.5
95.04930	5.3
95.08600	60.5
96.95381	6.2
97.06523	18.3
97.10166	37.3
98.98457	33.0
103.03924	8.0
103.05405	5.6
104.37898	4.5
107.08586	50.0
109.10160	29.8
111.08092	11.8
111.11718	10.3
115.26257	5.4
121.10147	82.6
123.11700	13.3
130.22002	4.8
131.04912	23.1
135.11661	57.3
137.13286	13.5
139.11226	8.7
149.13197	27.1
163.14912	8.2
195.73940	6.4
209.09653	21.9
219.21004	49.0
225.16698	5.7
237.22041	40.3
247.21556	5.5
272.61658	6.0
284.07941	6.1
311.25854	30.5
330.33664	7.4
345.35751	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15753	11.0
73.36427	11.9
74.47161	12.1
84.04517	16.3
85.17154	14.1
91.71651	18.1
93.82378	12.2
98.98466	100.0
101.00867	29.7
105.07023	15.4
115.15335	13.9
119.01929	43.3
124.02441	21.4
131.41028	15.0
140.01031	15.6
142.03470	44.4
143.01901	31.5
165.05144	28.6
184.04552	69.7
185.02855	16.3
187.00893	22.2
198.06168	28.3
202.30965	16.3
203.03917	19.6
210.02567	42.8
246.94252	15.7
268.38428	16.5
308.16992	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04996	5.1
57.34994	4.9
59.30903	5.8
60.08155	39.3
64.63721	5.0
67.04234	15.4
68.05012	15.6
68.18755	4.5
70.06593	31.2
72.08141	23.3
72.24731	5.3
74.06055	12.7
76.95784	5.2
83.04984	4.9
83.06100	12.9
84.04498	8.6
84.08131	18.9
95.06123	8.8
98.98458	58.7
107.06071	66.4
108.06856	8.5
111.05578	32.4
125.01689	40.2
126.02482	41.7
127.03246	48.4
129.10254	8.3
141.04813	19.8
143.11897	5.4
147.09192	12.6
166.30881	6.3
169.04282	61.8
181.07954	6.3
185.09735	8.7
209.07491	24.5
227.08426	73.7
228.11676	32.1
248.62576	5.9
286.15802	100.0
330.14832	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1849
Annotation	Trifenmorph
Peak:m/z	Relative Intensity
50.87803	3.7
58.06224	4.4
66.46655	4.1
70.24129	5.3
77.21671	4.6
88.00661	5.5
91.05469	100.0
95.14884	4.5
98.98445	7.1
100.22446	5.0
105.61793	4.9
201.50093	7.5
330.18405	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98518	1.0
53.03930	1.0
55.05504	14.3
56.05016	1.1
57.05802	1.6
68.18951	1.2
69.78878	1.1
70.15997	1.1
72.08147	100.0
73.08469	4.1
84.08136	16.4
86.09683	7.4
86.70255	1.0
96.08081	1.3
98.02369	1.1
98.98473	8.6
119.01954	2.4
127.08780	1.4
129.10223	3.0
130.06503	10.9
130.08647	4.7
131.06921	1.2
132.08115	2.0
142.06160	1.5
143.01875	1.7
147.11316	4.6
159.09181	12.3
160.09506	1.4
169.07629	4.9
184.04669	2.2
187.08646	1.6
197.09056	1.5
206.67070	1.3
256.10806	2.5
260.19714	2.3
273.13235	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06609	3.6
55.05499	5.3
64.68407	3.0
69.07065	9.1
70.06569	3.3
72.08147	61.9
82.41822	3.1
84.04506	4.7
86.09697	100.0
88.21078	3.2
98.98456	59.2
118.79222	3.5
122.02654	3.8
129.10268	4.3
136.80717	4.4
140.01096	5.6
145.68648	3.9
166.16725	3.5
167.06976	5.6
180.85188	3.9
185.16479	28.3
190.82796	3.7
213.15884	21.3
266.69867	3.9
330.15997	10.6
345.52377	4.1
352.05515	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3365
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
57.07071	12.6
58.42014	1.3
61.94794	1.2
65.40013	1.3
70.06583	23.8
71.08618	3.8
74.17134	1.5
88.07623	22.1
98.98473	3.2
102.09168	3.5
103.93716	1.4
106.08658	13.9
312.32602	7.1
330.33643	100.0
331.33749	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1289
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
55.01860	5.8
62.09417	4.6
66.65519	4.5
67.05488	9.4
81.07014	4.6
81.37981	4.9
82.06583	4.6
98.98464	47.6
108.04468	8.5
139.92311	5.8
162.05447	12.3
176.98981	5.2
189.06656	8.2
191.03522	5.0
197.08334	5.8
215.08183	17.3
220.61125	6.7
221.81561	5.0
229.09752	20.1
239.11761	10.3
240.10181	5.4
243.11273	6.1
257.09323	8.5
257.12958	10.8
271.10748	9.7
285.12128	10.4
313.11948	19.8
331.12845	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93594	1.6
67.05497	5.6
69.03413	2.5
69.07041	3.4
70.06602	3.0
72.08145	4.1
78.80005	2.1
79.05481	3.9
81.03421	3.4
81.07037	4.5
84.04494	2.7
86.09686	6.8
91.05467	3.1
93.07043	8.9
94.06539	4.8
95.04922	3.1
95.07347	7.2
96.08129	18.7
96.93940	2.5
97.06505	2.2
98.98460	32.2
100.11239	3.9
101.93047	2.3
108.08122	5.4
110.09669	35.3
120.08096	35.4
121.08880	6.7
124.07569	22.5
127.03962	2.9
129.02992	2.3
131.99562	2.4
136.07607	3.6
138.09134	100.0
139.27873	2.6
140.01073	4.9
148.07562	12.1
149.08333	3.8
152.06973	3.6
166.08646	27.6
176.98987	2.9
285.12372	6.9
313.11826	3.3
331.12881	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04900	0.9
52.88201	0.9
57.07109	1.0
59.21259	0.9
65.03934	2.9
65.52976	1.0
65.87182	1.2
79.05470	1.2
90.66811	1.3
91.05475	100.0
91.20338	1.0
98.98473	7.9
106.06547	4.4
114.00114	1.3
120.08136	3.1
140.01085	1.4
181.10149	2.9
198.12755	7.1
235.31444	1.2
331.18167	11.3
352.05862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.284
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.94551	4.4
55.05499	16.2
57.03411	5.5
57.06801	7.0
57.07067	100.0
58.15636	4.6
67.05508	35.5
68.85780	5.3
69.07053	19.2
71.08625	64.4
81.07059	38.1
83.08618	26.8
85.10162	33.7
95.08598	57.3
97.10130	10.2
99.66388	5.1
109.10144	19.0
216.53659	5.7
236.04201	6.2
239.23772	19.1
244.82193	6.1
271.06540	6.7
313.27362	49.9
314.98465	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.00322	1.9
53.12481	1.3
54.35130	1.3
55.05510	10.8
57.03441	6.2
57.07069	100.0
66.05718	1.3
67.05496	28.6
67.05825	1.7
68.34464	1.6
69.07063	17.7
71.08624	69.0
71.09019	3.5
71.36446	1.5
71.59557	1.4
75.04470	2.4
79.04732	1.5
79.05476	1.3
81.07051	34.9
81.07480	2.5
83.08617	19.6
85.10178	35.1
85.10648	2.2
88.56061	1.7
95.08601	54.7
97.10177	9.4
97.16013	1.6
98.98506	5.1
109.10167	21.0
123.11758	7.8
137.13310	4.7
193.68837	1.7
221.22737	2.7
239.23608	14.0
257.24713	2.0
270.25327	1.8
313.27359	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.3
57.03411	7.5
57.06797	7.4
57.07068	100.0
67.05495	31.2
69.07048	16.8
70.06588	7.5
71.08620	70.6
81.07041	28.9
83.08601	23.6
85.10168	36.9
88.07635	9.8
91.71079	8.6
95.08601	54.7
97.10186	13.1
98.98460	16.4
99.53868	3.9
106.08639	5.1
109.09361	2.9
109.10122	20.1
111.11780	3.6
121.51585	3.8
123.11725	8.9
137.13281	4.9
239.23807	8.8
273.97845	4.2
313.27353	46.5
313.32907	6.1
330.33752	9.0
331.33957	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26952	2.4
51.05685	2.2
53.00288	2.9
55.05496	13.4
57.03421	8.3
57.07068	100.0
67.05222	2.4
67.05500	26.9
69.07049	12.7
71.08244	5.6
71.08617	69.5
81.07043	34.1
83.08608	26.9
85.10168	25.0
87.77304	2.6
88.26466	2.6
91.05451	2.8
91.70931	2.7
93.07008	2.9
95.08604	53.7
97.10160	11.2
98.98456	17.2
109.10133	20.8
111.11708	3.4
117.32960	2.8
123.11695	12.1
137.13271	4.8
158.78476	2.7
239.23711	12.0
298.27499	7.6
313.27365	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	12.2
57.06837	8.6
57.07073	100.0
57.11321	7.0
64.47430	6.5
64.49552	6.9
67.05489	31.1
69.07049	19.5
71.08617	70.6
81.07046	42.6
83.08619	25.0
83.11688	8.2
85.10168	33.2
95.08603	48.0
97.10163	12.3
98.98461	50.3
109.10145	29.4
123.11603	8.7
239.23752	14.1
313.27353	57.3
328.62988	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03410	4.3
53.03931	5.7
55.46435	4.7
61.02905	10.2
61.21679	4.5
69.03416	20.5
73.02892	7.0
81.03417	11.2
85.02894	100.0
97.02885	26.7
99.04501	6.4
107.04942	35.0
111.32465	5.5
127.03925	22.3
130.26495	6.3
134.04715	5.7
145.04967	31.2
153.05470	19.0
211.64325	6.6
235.82251	6.5
245.06989	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.6
55.10285	3.8
58.99567	7.9
60.90511	3.9
66.66584	4.5
67.05485	16.8
68.11180	3.8
71.05006	4.3
76.02238	9.9
79.05488	24.0
81.07056	33.0
82.07419	4.1
83.04976	10.0
86.24948	4.4
86.87498	4.6
91.05474	46.9
93.07053	27.1
93.07555	5.0
101.05959	4.3
105.07018	99.2
107.08595	21.4
119.08563	23.3
121.10131	25.6
122.02703	59.4
129.07011	12.7
131.08559	100.0
133.10115	46.9
135.11693	6.3
145.10112	9.9
147.11696	17.4
149.09668	10.3
157.10141	13.7
163.11191	10.7
175.11176	58.9
181.12254	13.0
193.12263	20.9
212.88634	4.4
216.61754	4.5
329.75839	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33445	7.2
56.05007	11.0
56.50977	6.8
57.07051	8.6
59.05475	8.8
60.04507	9.3
60.08147	25.5
67.05486	19.2
69.07046	9.1
71.04974	23.4
72.08138	26.3
74.06075	9.6
74.51371	7.5
79.05493	10.0
81.07037	12.8
84.04488	33.4
85.02870	7.9
86.09705	45.5
89.48215	9.6
91.05467	27.7
97.06587	8.3
98.98465	15.2
105.07021	19.5
107.08566	8.0
119.08574	12.1
131.08543	10.7
135.36606	9.8
148.04295	12.8
159.14914	39.1
173.12784	19.2
178.05241	9.8
201.78697	10.6
212.61865	10.2
231.84779	10.0
260.40369	9.4
286.14716	15.1
314.14124	10.4
323.19229	11.1
332.15002	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01098	1.2
53.03930	2.1
55.01865	2.3
55.05505	9.0
57.09834	1.5
58.99575	4.6
63.54271	1.4
67.05491	23.8
69.07047	3.1
70.06552	1.5
71.04981	4.3
76.02209	13.9
79.05480	29.3
81.07046	27.5
81.07481	2.6
83.04965	6.8
85.06548	1.6
86.99055	2.3
87.04453	2.9
91.05468	54.3
93.07033	33.5
94.31313	1.7
95.04949	6.9
95.08597	3.4
97.06484	1.7
98.24088	1.4
98.98474	1.8
101.06006	2.8
103.05456	3.5
105.00094	6.5
105.07024	93.5
107.08583	16.6
109.06524	5.7
115.05436	2.1
116.06201	2.4
117.07037	4.5
119.08571	37.7
121.10136	27.0
122.02717	64.1
129.07007	17.9
131.08557	100.0
133.10120	43.2
135.11688	11.1
142.07777	6.7
145.10101	9.8
147.07945	3.4
147.11678	24.9
149.08592	1.7
149.09596	9.7
149.21503	1.6
157.10121	12.5
163.11162	13.0
167.10663	2.2
175.11165	54.4
181.12238	15.4
182.53174	1.7
182.96078	1.7
193.12238	25.5
208.52309	1.6
247.61470	1.7
321.85312	1.7
332.15472	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39251	0.8
57.73870	0.8
60.04562	1.1
67.86269	1.0
70.06602	2.4
72.08174	2.9
77.17869	0.9
84.04540	1.1
84.08165	3.1
85.08942	3.4
86.09736	3.3
86.38794	1.1
98.98483	2.1
100.11249	100.0
104.88842	1.0
120.08162	3.1
128.83499	1.2
129.10275	2.6
131.37646	1.2
180.80066	1.1
250.43541	1.2
332.19464	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37527	2.1
51.50620	1.7
51.60313	1.7
55.05517	3.0
56.05023	14.7
58.06604	8.8
59.00977	1.8
59.14148	1.9
60.31677	1.8
69.07076	2.6
70.06579	3.7
72.08147	66.2
72.08524	4.2
73.04043	3.1
74.06068	36.4
84.04485	14.2
84.08183	2.7
86.09694	17.5
86.30043	2.0
91.71644	2.5
92.66897	2.1
98.97834	2.1
98.98491	6.2
99.41897	2.0
101.07138	26.4
108.08164	2.5
110.09681	7.3
112.07668	2.6
120.08137	3.6
128.10699	21.7
129.10271	8.1
134.36012	2.3
136.45264	2.4
153.24583	2.4
163.20042	2.0
173.12852	100.0
187.14529	9.9
192.79730	2.4
201.12350	34.9
215.13972	3.0
231.17337	2.5
299.17630	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07037	2.8
56.05047	3.1
57.95325	2.9
60.04505	14.9
60.08156	20.7
63.59592	3.5
65.43875	2.8
67.05489	11.1
69.07059	6.8
70.06551	3.6
70.52139	3.4
71.04981	5.0
72.08130	13.9
79.05492	5.7
79.15628	3.8
81.07049	4.1
84.04493	9.0
86.09702	100.0
87.05547	4.7
91.05463	7.7
93.07030	6.4
98.98456	7.0
100.11252	9.5
102.05515	4.7
117.62804	3.5
128.10701	6.0
132.10187	7.2
133.10101	4.1
136.07593	11.5
146.58733	4.2
148.06065	7.3
159.14958	27.7
173.12834	43.4
188.83553	3.6
201.12369	11.9
219.13385	8.9
258.98657	4.1
286.14587	4.9
332.15091	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00042	2.7
52.89403	3.3
56.96555	7.3
57.07066	37.0
65.25350	3.7
65.96110	3.3
67.05489	3.6
72.08145	100.0
75.61456	3.3
76.38155	3.1
86.09698	18.5
88.07614	7.5
93.55033	3.8
98.98467	5.1
100.11301	3.8
100.61157	3.2
104.10748	15.9
107.04946	27.1
112.63224	3.7
114.09168	5.9
117.57368	4.2
125.00015	11.1
136.00737	4.0
150.06818	3.3
152.54716	3.8
163.11189	10.3
171.85199	4.1
184.07347	9.1
192.19392	4.8
219.17418	5.6
220.13304	81.7
240.10045	9.3
260.99445	4.1
276.19531	77.0
284.29752	4.8
303.80344	4.8
332.25848	52.0
332.31641	6.2
343.19556	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	20.0
57.07065	13.3
58.06581	13.2
60.44201	5.8
63.36104	4.7
66.23329	5.4
71.08613	6.7
74.06058	21.1
75.18575	5.2
75.84004	5.4
88.07632	57.2
98.98465	11.1
118.08676	8.1
139.48991	6.0
155.29819	5.7
164.10388	5.9
233.10487	8.6
258.42587	7.5
284.29495	36.0
328.57700	9.7
332.31583	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	29.7
56.96549	62.8
60.76837	23.3
65.41953	21.0
70.06577	44.3
72.08144	61.9
72.97427	22.1
84.04474	49.3
86.09704	65.6
97.99142	28.3
98.98414	68.4
111.21820	28.7
139.01724	28.2
170.64445	29.2
172.27443	26.7
202.03911	35.4
270.06516	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76863	7.8
55.01870	9.8
57.57334	7.9
60.08163	9.1
63.63342	9.2
67.17678	8.3
70.06571	9.5
76.46639	10.3
77.01752	9.0
86.09705	10.3
91.05470	12.3
91.16724	9.9
92.90650	11.3
98.98488	14.2
115.05441	20.1
117.07045	30.7
128.06313	13.6
129.07016	16.1
131.04956	27.3
141.07016	22.8
141.17546	11.5
145.06511	12.4
147.04471	11.5
149.98367	11.2
153.07033	21.8
155.08595	40.5
157.06508	21.0
159.08098	18.9
165.07019	31.2
168.22113	11.1
169.06427	13.4
173.05956	100.0
183.08037	75.1
188.07069	17.7
201.09151	45.1
211.07574	58.1
229.08597	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49900	5.2
58.06584	11.5
60.08148	13.8
60.77546	6.3
65.20346	5.8
66.12905	5.2
70.06578	7.1
72.08161	14.9
78.24152	6.2
81.96771	6.6
84.04496	52.6
86.09700	14.0
96.31001	6.0
98.98447	11.9
99.05571	55.5
101.07135	100.0
105.24754	7.7
114.04372	7.2
114.39156	5.9
118.06591	7.6
130.06531	95.1
131.65184	6.5
143.58308	6.9
144.08069	11.5
146.05966	32.3
149.63481	7.2
159.09096	13.5
181.30711	8.4
188.07054	42.2
205.09650	9.7
257.69421	7.2
274.11792	68.1
285.08414	9.6
333.15445	23.0
333.19809	9.2
346.79431	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30159	5.5
53.03932	15.3
53.95401	5.0
55.05496	7.1
57.03418	8.8
60.08146	9.1
69.03420	44.8
69.07058	59.2
69.93349	5.6
70.06583	6.4
71.05001	6.5
81.03402	78.4
85.02902	23.7
97.02903	9.2
98.02808	5.5
98.98432	9.9
99.04447	17.9
109.02858	55.3
111.11755	8.0
112.94382	7.6
121.18854	6.0
127.03912	100.0
127.05334	7.1
140.38680	6.7
170.22061	6.8
187.06013	25.9
246.96831	6.3
261.53961	6.9
303.79355	7.9
312.83997	8.2
341.20798	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56354	5.0
67.05499	6.0
75.41691	5.2
80.19704	5.3
86.36406	5.6
91.71066	13.8
100.40133	6.5
118.35462	7.2
123.97496	6.0
181.01523	7.5
214.21901	6.4
260.54352	7.8
333.20270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87151	10.1
74.86971	11.8
88.55908	11.0
189.68199	11.5
190.72726	11.1
218.60295	11.6
333.20389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1396
Annotation	Oglufanide
Peak:m/z	Relative Intensity
56.15321	2.3
75.11281	2.4
77.80490	2.7
84.04500	33.6
91.05462	5.1
94.01460	2.7
99.13985	2.9
102.05476	3.6
102.89748	2.7
104.01129	2.8
118.06532	24.1
130.04988	4.8
132.08084	4.0
144.08112	15.0
146.06009	72.0
146.07076	5.9
159.09189	15.8
163.53163	3.1
170.06061	5.6
188.07062	100.0
205.09627	19.7
225.10202	7.4
234.03873	3.3
235.67783	3.9
237.38954	3.2
345.53058	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85472	0.8
56.05014	1.8
58.06591	9.7
61.56576	0.8
64.55701	0.7
70.06577	3.9
70.58523	0.7
72.08150	5.6
78.31374	0.9
84.04493	7.0
84.08124	3.4
86.03237	0.9
86.09684	2.3
94.71996	0.8
102.09174	100.0
112.07613	3.0
118.06512	5.5
120.08105	0.9
130.04945	1.0
132.07977	1.4
144.08105	1.7
146.06018	10.2
159.09129	2.2
169.44820	1.0
188.07054	14.3
205.09793	2.6
220.79840	1.1
241.50749	1.0
247.61537	1.1
334.17603	9.0
341.25906	1.1
352.90891	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	18.0
67.05503	27.8
71.08636	22.1
72.04513	94.8
73.49957	15.8
77.28812	13.3
81.07023	30.9
93.07047	17.7
95.08601	31.4
107.08487	15.0
109.06497	29.9
114.09170	22.8
127.80111	14.2
165.12741	100.0
236.20064	29.8
278.35733	16.0
286.80948	18.9
334.27393	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01860	11.8
59.18782	12.4
65.17896	12.6
67.44985	12.7
69.14026	12.6
72.04507	93.1
79.15006	17.4
95.04977	36.4
95.08585	34.5
104.45066	12.7
114.09209	21.3
144.58809	16.8
147.40450	15.1
165.12744	100.0
170.20398	17.6
236.20122	29.9
249.09402	18.8
249.94603	16.8
334.27530	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38976	22.4
61.66582	23.1
62.98899	21.8
72.04511	53.0
81.07047	43.6
91.35946	27.2
106.80750	25.9
114.09156	35.8
120.18506	37.0
165.12743	100.0
257.97647	31.4
261.73535	31.3
295.42599	33.4
334.27408	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63364	7.7
55.71745	8.5
55.72576	7.6
56.68386	7.8
67.05499	24.6
69.07027	10.7
71.08627	17.8
72.04501	87.7
81.07028	15.7
83.13593	9.3
87.49831	8.8
88.65892	10.2
93.07069	12.8
95.04942	16.6
95.08586	27.6
105.07005	14.5
107.08582	13.8
109.06518	33.9
114.09177	21.0
119.08555	13.9
150.00890	9.7
165.12715	100.0
176.42229	9.9
182.15363	11.2
200.26801	10.1
206.76881	11.4
236.20158	27.2
273.19427	12.6
334.27258	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34031	3.6
57.06841	5.1
57.07071	63.6
60.79200	3.3
66.52964	4.0
70.68202	4.4
70.81490	3.8
73.92761	4.4
74.09708	85.6
81.47018	4.3
103.22926	4.3
107.04931	68.2
116.10733	5.0
150.29387	5.1
163.11201	8.5
175.34346	5.8
187.14023	5.4
193.79527	5.7
204.10931	5.7
208.51019	5.1
210.66553	5.1
222.14871	100.0
229.42270	5.2
278.21185	94.2
334.27316	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87412	2.8
56.05015	7.5
57.07057	7.3
58.06602	17.1
58.06824	3.3
60.04496	5.4
70.72034	2.3
71.08611	3.7
72.08145	6.4
72.90457	2.4
74.06045	5.3
75.76014	2.7
86.06044	7.0
88.07622	52.9
104.07113	6.9
132.10202	12.3
136.09462	2.6
166.10709	4.6
168.97462	3.3
242.24753	36.7
286.27325	14.0
334.29474	100.0
347.20877	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.9
56.05014	3.9
56.96555	3.6
57.07064	3.2
60.04516	100.0
66.99442	2.3
67.05491	11.7
69.07049	6.5
72.04520	3.7
79.05478	4.4
81.07038	12.4
83.08593	6.9
95.08579	10.7
98.91152	3.2
109.10157	5.6
111.89513	3.1
121.10189	3.6
143.81950	3.2
280.26276	6.3
298.27383	12.1
316.28391	25.4
334.29602	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25706	2.1
56.96544	2.7
57.07054	7.7
60.71696	2.2
63.82797	2.4
70.06573	38.0
72.08120	4.2
84.08123	4.7
86.09684	5.9
88.07617	11.2
90.18660	2.3
102.09179	3.0
116.98569	2.4
127.77530	2.2
132.10190	12.4
138.91010	2.7
146.11736	13.5
212.41011	2.4
227.31358	2.8
228.23244	15.4
236.44315	3.2
272.25858	40.9
334.29471	100.0
335.29376	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82568	2.8
52.25403	2.6
54.63021	3.7
57.07071	9.1
62.97866	2.9
70.06580	23.2
73.01015	2.9
84.08160	3.4
85.97054	3.2
86.97511	3.2
88.07603	21.5
111.04350	3.3
114.09182	9.1
115.29736	4.4
132.10217	35.4
148.53883	3.8
176.12943	3.8
176.35324	3.8
194.13885	4.7
221.45795	3.6
228.23329	5.1
290.26846	4.5
334.29495	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	4.7
55.05502	39.8
67.05477	8.8
69.07051	17.3
70.06577	21.5
70.18268	4.3
72.08140	100.0
81.07008	7.5
83.08562	5.3
95.08582	4.7
96.56059	4.5
98.06042	76.8
109.10150	7.7
126.09169	7.3
127.27261	5.2
136.54478	4.5
140.10683	9.2
154.12311	9.4
168.13936	6.6
173.30557	4.8
264.11804	5.3
334.31046	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72065	1.6
56.05013	5.5
56.96552	2.4
57.03417	2.1
60.77209	1.7
70.06602	2.7
74.00671	10.3
76.02213	3.4
80.05016	2.3
83.06091	2.7
84.04494	100.0
85.02895	22.8
88.03988	3.5
96.04451	2.1
98.98470	3.9
100.02203	4.2
101.78479	1.8
102.05528	2.1
114.03741	6.6
120.01159	21.4
121.06513	4.9
122.02710	9.5
130.04990	28.6
142.03223	28.6
154.04973	2.1
160.04247	12.6
186.02171	15.6
188.03769	14.8
189.02225	5.7
206.04799	38.9
232.02814	2.9
249.05441	2.4
272.05856	4.5
289.08542	3.1
290.13232	2.4
302.33707	2.2
318.06403	4.9
335.08994	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06037	1.5
51.22476	1.4
51.89692	1.5
56.05027	2.6
56.67286	1.3
57.03425	5.3
58.99558	1.6
63.85417	1.3
76.02225	9.0
82.65799	1.6
83.63344	1.8
84.04496	34.4
85.06532	11.6
86.99037	1.9
101.60120	1.7
104.09503	1.5
105.00062	2.7
117.03708	100.0
122.02718	33.3
126.69861	1.6
130.04984	4.3
142.03244	3.9
160.07898	2.4
170.35712	1.7
188.03813	4.7
189.05795	5.7
203.31119	1.8
206.08455	23.3
270.43533	2.1
335.12744	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46981	8.0
55.05487	19.2
56.82705	7.1
57.03421	22.2
67.05224	9.1
67.05493	95.1
69.06708	9.7
69.07059	21.2
76.49683	7.9
79.05482	29.5
81.07050	63.9
83.73526	8.0
85.69955	8.4
91.05466	18.1
93.07047	47.8
95.08603	54.4
105.07028	11.5
107.08588	23.3
109.10165	17.7
121.10138	17.8
164.04265	9.3
217.81152	9.9
243.44238	9.9
335.21896	100.0
335.25778	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22215	4.8
55.94934	6.1
57.95736	5.3
58.06580	12.9
60.08157	100.0
60.92301	5.7
62.85318	6.1
69.07051	20.8
79.88673	5.6
85.77949	6.1
97.06465	6.7
108.30591	8.7
118.05639	6.6
120.08099	47.0
122.43690	7.7
146.06038	18.9
180.10225	8.7
197.60519	9.6
237.87398	9.1
259.61600	7.4
278.12961	8.0
335.23251	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80839	26.6
53.15080	24.4
55.05521	32.6
67.05511	38.7
72.93320	28.5
78.68769	33.6
79.05466	39.2
81.13402	26.4
81.39983	29.1
82.41961	26.0
89.69090	29.9
91.05485	29.3
93.07072	51.7
105.07040	83.3
107.08633	36.4
108.32808	28.7
119.08567	53.2
131.08562	36.7
133.10132	100.0
145.10094	67.6
157.10129	42.6
159.11800	37.0
173.13297	31.3
176.78508	29.9
274.53064	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09008	20.7
55.05492	20.6
57.03419	31.9
67.05486	100.0
69.07071	36.9
79.05515	35.1
81.07039	90.2
88.12507	22.8
91.05438	37.7
93.07045	55.6
93.47067	25.7
95.08600	71.7
99.35529	23.3
100.97082	22.6
109.10185	30.3
121.10168	37.4
147.09212	28.4
243.21172	26.5
335.25833	43.0
353.96790	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67797	15.2
55.05489	30.9
55.64448	14.7
56.96535	13.9
57.03427	31.0
58.62105	14.6
61.17635	13.5
67.05489	100.0
69.07040	38.3
79.05499	31.7
81.07057	66.7
83.33044	15.4
91.05475	38.2
91.71686	19.1
93.07034	77.8
95.08600	51.9
107.08586	38.1
109.10175	21.2
112.62061	16.5
116.70290	16.9
121.10131	25.4
124.17197	15.6
187.88123	18.0
209.07625	19.6
246.53441	17.8
271.77740	21.3
335.25885	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.28887	6.0
55.05495	16.3
55.31643	6.5
57.02874	6.1
57.03418	26.4
67.05491	100.0
69.07041	27.4
78.03073	6.6
79.05476	25.1
80.58250	7.2
81.07049	92.0
81.57307	7.1
81.57800	9.1
91.05457	10.1
93.07027	48.1
95.08591	81.0
105.07044	10.5
107.08581	25.7
109.10155	25.9
114.07776	7.2
117.07082	8.6
121.10123	20.6
130.28372	8.2
201.02029	9.4
335.25775	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59607	12.2
55.05498	18.5
57.03424	22.1
57.07044	18.0
62.50801	16.9
65.26192	14.7
67.05502	96.2
67.68163	14.8
69.07056	17.7
74.48065	16.3
79.05461	24.4
81.07043	100.0
91.05472	35.3
93.07045	28.0
94.79353	18.3
95.08606	50.2
107.08600	38.6
121.10152	39.4
141.38847	18.3
149.46678	23.7
163.14799	29.5
194.95894	18.6
228.99139	18.1
335.25677	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61506	7.9
57.03428	18.8
58.75588	9.2
60.56959	8.4
62.74402	8.6
67.05500	100.0
75.08774	10.2
79.05490	31.7
81.07062	69.0
81.07465	11.7
86.35530	10.1
91.05464	18.2
91.71709	23.8
93.07050	28.9
93.36495	11.4
95.08591	46.9
104.37660	9.5
107.08590	22.0
109.10114	11.4
121.10152	13.6
126.50530	10.0
130.22557	9.7
133.26752	9.4
182.08733	11.6
244.90549	11.0
289.10947	13.5
335.25748	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38945	14.1
55.05495	31.2
55.69431	14.0
57.03426	15.6
66.65245	12.6
67.05492	96.2
69.07059	24.3
74.11501	15.6
79.05482	50.8
81.07047	100.0
85.62988	15.7
91.05482	41.6
91.71650	34.1
93.07040	58.0
95.04955	27.5
95.08619	43.9
107.08552	28.9
126.41962	19.4
133.06325	16.5
195.40329	19.2
284.59811	21.5
335.25970	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	24.2
57.03423	40.6
67.05483	94.6
69.07027	26.8
79.05481	32.8
81.07042	100.0
91.71020	19.7
91.71511	59.3
93.07030	53.2
93.88859	16.4
95.08595	59.9
105.06977	20.3
121.10162	23.5
184.63771	21.4
293.77692	20.8
330.37677	22.4
335.25906	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75288	7.9
55.05494	21.4
57.03403	20.4
67.05491	100.0
69.07069	28.8
72.63123	8.6
76.54657	9.9
79.05482	45.9
81.07034	76.3
91.05475	18.2
91.21723	10.5
93.07025	54.3
95.08598	64.9
105.07041	20.5
107.08596	17.1
109.10147	12.6
121.10131	17.9
123.11697	11.2
175.48428	14.7
189.46405	10.5
196.89282	10.2
220.17151	11.0
226.75317	11.7
312.22342	12.7
335.25891	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45531	10.5
55.05502	26.1
57.03418	25.1
67.05489	90.2
69.04134	11.2
69.07056	24.7
73.64979	13.8
73.85809	11.7
79.05473	63.2
81.07053	96.3
91.05477	60.8
93.07025	100.0
95.04941	17.7
95.08595	55.9
107.08584	28.8
109.10168	32.7
117.07037	19.9
121.10133	15.9
129.96101	16.6
131.08577	16.8
135.11633	20.1
220.28036	14.5
243.21275	14.1
330.16580	14.4
335.25879	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.6
67.05480	4.7
70.06578	6.6
72.08147	45.6
74.18652	2.7
78.35754	2.9
79.05491	46.0
81.03399	2.7
84.08139	6.2
85.02925	4.0
86.09706	5.4
87.22812	3.1
88.03989	5.3
91.05456	8.6
91.71010	6.7
93.07038	28.7
95.04932	4.1
99.09194	2.9
105.06982	3.8
107.58109	2.9
120.01167	7.7
120.08095	98.0
121.06500	28.5
135.13588	3.0
139.07573	10.2
171.61740	3.6
174.09122	24.2
181.48117	3.4
248.25868	3.1
263.30865	3.6
272.17563	100.0
318.13547	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1918
Annotation	Ile Gly Phe
Peak:m/z	Relative Intensity
58.20288	1.0
59.44971	0.9
68.11307	0.9
69.07061	11.7
70.06584	1.7
84.04443	1.2
84.08147	1.4
86.09696	100.0
120.08096	29.4
129.62700	1.1
133.60255	1.3
141.11359	1.2
141.40625	1.2
143.11780	1.8
155.37546	1.1
166.08618	15.7
171.11282	9.2
177.10266	3.3
186.84663	1.3
223.10779	9.6
272.09781	1.6
298.91977	1.3
336.18927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81032	9.2
59.90133	8.8
67.05482	14.3
69.07048	12.2
71.08616	30.2
71.81978	11.1
72.04504	59.9
72.62022	11.6
76.98090	11.7
81.07043	23.3
99.08067	14.1
100.04047	12.3
107.08587	15.8
114.71931	12.6
152.52142	13.9
238.21739	31.0
291.23178	21.1
336.28839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97354	3.8
55.05492	14.5
57.07057	6.2
64.71584	4.3
67.05482	15.4
69.07060	22.6
69.78265	3.4
71.04924	5.2
71.08619	32.8
72.04499	12.0
79.05481	10.7
81.07055	30.6
83.04917	4.2
83.08620	5.3
83.35146	3.4
91.05457	8.2
91.10925	4.0
93.07043	25.5
95.08598	24.5
97.10206	4.5
99.08094	9.5
100.69825	4.5
102.09041	4.2
105.07042	9.9
107.08593	12.9
109.06534	12.8
109.10150	10.0
119.08564	6.6
121.10136	5.4
126.10116	4.3
128.10724	4.4
133.82683	4.0
150.18639	4.5
165.12773	20.9
173.80681	4.4
175.14844	7.8
184.93396	4.2
238.21628	26.9
291.23129	31.0
318.28070	5.4
336.28937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3256
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
55.05503	25.1
57.07065	4.5
62.41671	2.3
69.07072	4.4
70.06593	5.4
72.08144	57.0
81.07072	4.0
83.08605	3.1
91.71684	6.9
96.00081	3.0
96.72107	2.5
97.37256	2.9
98.06044	63.7
126.09195	5.0
140.10707	7.7
171.81659	3.3
202.72742	3.6
280.25394	3.5
285.08264	3.4
336.32617	100.0
349.75208	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32102	7.1
55.05492	37.0
57.06823	10.3
57.07068	90.0
59.29563	6.9
63.02708	7.0
64.56198	7.2
67.05476	27.6
69.07057	51.5
71.37601	8.0
74.09707	100.0
81.07037	32.1
83.08598	24.3
95.08600	28.0
97.10186	12.0
107.08553	8.5
109.10191	10.7
111.80201	8.3
124.94846	8.8
198.18544	8.4
336.32724	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3258
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
53.32102	7.1
55.05492	37.0
57.06823	10.3
57.07068	90.0
59.29563	6.9
63.02708	7.0
64.56198	7.2
67.05476	27.6
69.07057	51.5
71.37601	8.0
74.09707	100.0
81.07037	32.1
83.08598	24.3
95.08600	28.0
97.10186	12.0
107.08553	8.5
109.10191	10.7
111.80201	8.3
124.94846	8.8
198.18544	8.4
336.32724	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.5
58.06573	6.3
59.23014	3.4
60.08154	40.3
69.07056	5.8
70.06589	5.8
74.19930	3.1
76.66742	4.0
79.17225	3.6
81.44511	3.7
84.04528	5.8
85.02897	14.6
91.05473	6.9
111.04439	19.4
121.06522	5.0
123.04407	38.1
131.08559	9.8
133.06523	8.0
135.08047	4.4
136.07582	13.6
141.06987	5.1
144.05681	8.9
145.06425	5.0
147.04428	5.0
151.03903	13.0
159.08049	11.4
161.05968	48.9
162.05487	9.7
165.05443	5.3
172.56477	5.8
182.08284	5.1
187.07573	40.2
189.05467	13.0
191.07059	7.0
197.05885	6.4
200.04732	8.8
215.07028	28.2
233.08067	100.0
279.12091	5.1
337.21176	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17823	1.3
55.05494	1.5
60.05350	1.5
60.05638	25.0
61.76785	1.3
63.93795	1.4
69.33575	1.3
70.06583	100.0
71.04980	2.5
72.08144	19.9
74.97718	1.4
75.13731	1.4
81.03406	1.4
83.04977	1.3
84.08128	9.6
85.02874	2.6
87.07954	2.6
96.04493	2.3
97.02876	3.0
97.07635	6.2
98.06016	2.3
100.07618	2.9
110.06049	1.7
112.07603	4.2
112.08709	10.9
114.09190	6.8
114.10280	20.2
116.07094	9.2
125.16977	1.6
126.09144	1.9
128.07094	6.6
130.09756	11.6
131.12926	1.8
149.05833	1.4
150.09171	4.1
154.08572	2.6
158.09247	6.9
173.13989	4.2
175.11919	12.2
180.10277	1.7
198.11305	6.5
214.10878	1.7
216.12257	3.1
217.13083	1.9
224.10353	1.8
232.72797	1.8
242.10208	2.9
257.16095	6.8
260.11267	2.1
319.16089	3.9
337.17178	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	6.4
60.08157	100.0
60.66727	1.9
62.61431	1.9
69.07054	23.4
91.05458	6.2
91.70995	3.1
95.04948	2.8
95.94915	2.3
111.04429	6.5
111.39847	2.2
117.26243	2.3
119.04955	7.0
123.04431	9.9
133.06454	3.3
136.07559	28.1
138.26935	2.4
147.04454	3.9
155.91138	2.2
161.05956	9.1
162.05487	25.5
165.05499	9.0
180.58421	2.4
182.08163	6.3
187.07587	4.4
208.06120	3.9
215.06946	3.6
233.08101	14.0
257.13852	2.6
337.21188	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37300	1.7
57.07058	4.2
58.06587	3.7
60.08154	85.9
64.42479	2.0
66.92468	2.1
67.54938	2.2
69.03435	2.8
69.07050	10.2
70.06568	2.8
73.80934	2.3
74.02427	22.2
86.09703	27.5
88.03989	2.5
91.05473	7.4
93.07000	5.5
103.05473	6.5
107.04983	4.5
112.07605	6.8
119.04951	14.8
121.06497	100.0
130.08623	22.1
132.10226	2.8
135.49135	2.3
139.45653	2.4
147.04411	15.0
158.76012	2.4
236.12721	3.9
250.14348	4.8
278.13928	10.1
337.21149	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.7
58.06397	1.8
58.06587	18.9
60.07864	5.0
60.08156	81.6
69.07051	18.7
72.71349	2.7
91.05456	4.9
97.06506	3.7
97.94061	2.5
107.04950	4.6
108.27576	3.1
119.04939	6.8
123.04400	6.2
123.10523	2.8
136.07585	38.0
145.26511	2.7
147.04395	3.5
162.05501	7.9
165.05499	6.5
182.08110	5.5
190.08466	4.9
207.97638	2.7
217.21768	3.0
235.42329	3.3
311.95557	3.1
314.63794	3.0
324.45392	3.3
337.21210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	5.0
53.03928	4.2
55.05512	38.0
57.03426	33.8
57.07068	10.2
67.05497	100.0
69.07064	58.4
71.52106	4.7
74.67569	4.5
78.70525	5.2
79.05486	14.4
81.07048	82.7
83.08600	28.4
91.05454	16.5
91.71645	11.9
93.07046	24.9
95.04979	5.7
95.08593	71.5
96.04604	5.8
97.06528	9.4
97.10165	17.0
105.07029	12.8
107.08590	11.7
109.10127	32.5
119.08549	9.5
123.11689	9.7
133.10165	7.6
203.64175	5.9
212.06152	6.1
221.46581	6.5
245.22749	8.8
258.98807	5.8
296.69287	6.3
337.27310	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	4.8
55.05508	31.4
55.75696	3.1
57.03429	22.2
57.07078	5.4
65.03941	3.4
67.05499	100.0
67.05833	7.1
69.07061	53.3
69.07363	4.1
71.05004	4.1
79.05515	15.5
81.07050	92.5
81.07475	6.0
82.93456	4.4
83.08611	23.1
91.05520	13.8
91.71650	8.2
93.07083	20.1
95.05061	4.1
95.08594	62.8
97.10184	8.0
99.08146	3.7
101.18474	4.6
105.06309	3.8
105.07048	10.6
107.08622	8.4
109.10185	17.1
119.08635	7.2
121.10175	8.0
123.11763	5.8
133.10172	9.1
148.87579	4.4
157.41820	4.6
161.13344	4.6
174.91780	4.4
179.19566	4.7
216.13251	5.1
242.96947	5.5
266.47177	4.9
270.67163	4.6
315.87149	5.4
330.83328	4.8
337.27353	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49831	3.5
55.05505	39.0
57.03433	25.1
57.03663	4.3
57.07058	8.8
67.05496	91.3
69.07056	44.9
79.05496	22.4
81.07045	100.0
83.08607	23.3
87.08038	3.6
91.05482	14.8
91.69708	4.1
92.27001	3.5
93.07066	18.6
95.04871	3.9
95.08601	60.1
95.64987	3.4
97.10165	9.4
105.07021	9.8
107.08566	6.5
109.10159	22.1
110.21107	3.5
111.11710	6.2
112.63444	4.1
113.50918	3.7
119.08591	8.5
121.10140	5.4
123.11681	8.4
133.10165	6.3
135.11736	5.5
152.61790	3.4
154.84189	3.4
161.13202	3.8
163.14867	3.7
258.78064	4.7
261.83261	3.9
325.80045	4.5
337.27359	74.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3414
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
53.14338	0.9
55.05507	1.2
57.07052	5.0
61.31369	1.1
70.00121	1.2
70.06577	2.6
71.08616	2.1
72.08149	37.0
87.74442	1.3
91.71062	1.9
98.06052	1.8
127.13928	1.2
128.10718	1.8
140.48494	1.8
210.16014	7.5
280.23700	1.9
338.34131	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0921
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01855	2.5
56.05051	1.3
57.03436	7.3
62.12885	1.2
62.94217	1.2
67.01855	3.5
68.29552	1.5
69.03090	1.7
69.03419	8.6
70.06592	2.5
71.04987	1.9
72.08146	1.3
73.02945	1.7
74.63243	1.6
82.76196	1.3
83.01350	3.2
84.04502	2.6
85.02900	34.3
95.01323	100.0
97.02892	11.0
101.02407	1.5
111.00791	4.7
113.02361	10.2
129.01831	12.3
141.01830	44.6
177.03935	38.2
245.98770	1.5
296.91220	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.2
55.05505	7.2
56.83069	5.7
57.03453	6.4
57.50300	6.1
67.05506	19.0
69.03423	100.0
69.07076	9.1
70.06589	6.9
72.08164	17.7
75.80527	6.0
79.05510	15.1
81.03425	21.8
81.07049	13.0
84.65654	5.3
85.02910	12.2
87.00884	6.9
91.05505	22.6
93.07027	35.1
95.04993	8.9
95.08625	15.2
97.06562	19.7
105.07059	19.6
107.08616	8.5
119.08598	14.0
121.10228	11.4
129.01796	7.4
137.09651	8.0
143.08592	9.6
145.10210	9.2
149.09692	20.0
151.11252	9.7
155.47466	6.5
210.15968	35.3
214.04037	7.5
217.12335	24.1
235.13319	13.1
280.23877	15.7
321.13419	9.2
339.14413	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85928	1.2
64.24763	1.4
68.67478	1.4
69.07063	2.7
70.06590	10.2
72.08145	31.7
84.08134	5.2
86.09689	15.8
97.06528	5.4
98.08540	1.8
112.09983	3.1
141.35841	1.6
153.09000	2.0
154.15932	5.8
167.15475	2.1
182.16597	4.4
194.16563	3.3
203.02197	1.8
210.15990	100.0
252.24319	10.7
256.04276	1.9
280.23807	32.0
339.31229	10.0
344.75360	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	6.3
66.46905	1.7
70.06569	10.7
71.08633	1.8
72.08145	32.5
84.08141	8.5
85.26417	1.7
86.09696	13.4
91.70956	1.9
97.06525	2.7
98.97568	23.8
113.62369	2.0
116.98635	12.3
134.99619	4.1
140.00169	10.6
151.87479	2.0
153.08997	2.7
154.15912	9.2
157.64635	1.8
158.01274	6.1
182.15285	2.7
182.16638	4.3
194.16504	3.4
210.16002	100.0
252.24423	15.1
252.26701	3.1
256.96481	3.6
274.97388	11.0
280.23782	34.5
292.98569	6.7
297.98965	16.7
298.99588	2.9
316.00018	6.7
339.01923	3.6
339.31198	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01842	5.9
56.75436	3.0
57.03426	7.6
61.02916	4.1
69.03418	37.6
72.08098	3.8
72.37884	3.2
72.55153	3.3
81.03416	27.7
85.02896	100.0
87.00816	26.0
91.47437	3.6
97.02888	35.4
99.04438	10.0
105.01862	66.1
109.02867	33.1
118.57756	3.9
118.64771	3.6
124.83189	4.1
127.03899	58.1
145.04916	20.9
159.02948	10.4
231.05003	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73281	0.6
54.17062	0.7
69.07032	0.8
70.07610	0.7
71.56753	0.6
81.07011	1.3
91.71623	0.7
98.97571	1.3
105.07014	2.5
107.08562	0.7
115.32223	0.7
119.08564	1.7
121.10124	3.1
133.10124	2.9
140.00180	0.9
158.01108	0.9
161.09610	1.3
161.13231	2.1
175.14803	1.1
191.93221	0.7
203.14288	17.7
210.15981	3.3
211.16417	0.8
219.17416	100.0
220.17729	2.0
295.17337	1.1
330.48462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.0
69.07053	9.9
72.08141	9.1
77.40165	6.2
78.96877	6.3
79.05482	8.3
98.97542	10.3
105.07031	62.3
119.37550	6.7
133.06454	50.4
134.07314	18.4
135.08051	43.8
140.00261	10.8
143.39841	8.6
151.07477	16.2
165.03703	19.1
178.12270	100.0
179.05238	9.4
210.15935	17.1
277.16241	11.8
281.24020	10.7
295.17197	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24185	5.5
60.08154	100.0
65.37456	4.7
69.07057	11.1
70.06586	6.6
72.08142	16.1
86.09695	74.3
97.06535	29.5
125.05890	5.9
134.61407	6.2
141.10257	6.8
157.09709	7.5
170.50243	5.9
182.15332	10.4
200.54784	5.4
211.14478	5.9
219.70886	6.7
241.22778	26.7
309.30099	6.3
335.38928	5.6
340.29440	71.8
352.25418	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81321	1.3
57.07069	15.5
57.87594	1.5
64.29603	1.3
69.07030	3.9
70.06559	1.6
71.08607	5.0
72.08131	4.1
74.06052	2.7
77.76606	1.6
88.07608	15.1
101.15091	1.5
102.09194	8.6
104.41525	1.4
116.10741	2.1
145.00015	1.6
210.15999	5.0
211.16368	8.5
215.10446	1.7
253.24619	2.4
281.24191	5.3
284.29456	29.7
340.32043	3.9
340.35703	100.0
341.36151	2.2
349.17566	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.207
Annotation	bohemine
Peak:m/z	Relative Intensity
53.97289	1.7
55.05506	3.6
56.05022	9.3
57.04504	1.6
67.05489	27.3
68.05014	2.2
69.07057	6.5
69.24984	2.1
70.06580	26.5
70.96712	2.0
71.04962	6.2
74.90204	1.7
79.05071	1.7
79.05470	14.3
81.06587	4.1
81.07039	39.4
83.04968	3.0
83.08602	2.9
84.04007	4.6
84.04493	69.9
84.08132	24.0
85.02881	6.6
85.06528	4.1
86.09699	2.0
86.22687	2.0
90.09650	1.8
91.05460	16.3
93.07032	43.2
95.04954	4.1
95.08606	18.5
96.04500	4.0
96.08114	2.4
97.06531	4.7
98.06039	9.3
100.11215	2.9
105.07024	4.4
107.08571	11.0
109.06535	2.6
110.09650	17.1
117.07021	6.0
121.10102	3.4
130.04971	11.8
131.08546	7.6
133.10092	3.1
135.08037	4.1
135.11678	7.2
150.09155	5.1
157.10124	2.9
159.11707	10.2
164.19141	2.5
175.11159	2.7
177.12718	3.0
194.15437	11.1
212.16431	100.0
224.98398	2.2
260.16422	7.1
274.57825	2.5
278.17468	5.4
323.19724	9.6
324.18030	27.7
341.20609	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	25.6
60.07862	6.9
60.08156	100.0
68.42533	3.4
69.03438	5.0
69.07040	19.9
69.61168	3.1
70.06578	7.8
72.08141	4.8
79.64075	3.5
82.65376	3.9
83.22742	3.6
86.09678	4.5
87.40380	3.4
103.97289	3.9
114.09203	6.2
130.06523	9.2
134.61139	3.8
137.05986	7.1
159.09155	10.8
169.07603	26.4
185.07072	4.7
341.23340	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30363	2.5
55.07650	2.2
56.35403	2.6
57.78027	2.5
58.06590	11.9
60.07862	5.7
60.08155	100.0
69.03416	6.5
69.07060	24.6
70.06582	8.7
72.08136	9.8
84.04468	6.0
85.02898	13.0
97.06526	20.5
98.02426	4.1
103.03905	5.0
110.02406	11.6
114.12791	10.7
121.06521	11.3
127.03934	10.3
141.02939	11.1
141.10252	8.6
145.04927	4.0
152.07036	5.5
160.95184	3.0
168.11401	4.0
169.09756	6.9
186.12488	3.4
195.07654	4.9
212.10295	7.5
212.43945	3.2
222.88304	3.5
247.70113	3.6
277.16489	3.4
282.18182	3.9
341.25412	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	39.0
57.07074	34.5
57.81421	5.2
67.05492	19.1
69.07061	100.0
71.08620	33.5
81.07039	40.8
83.08612	64.7
85.06549	5.5
85.10159	12.7
93.07032	11.6
95.08594	45.6
97.06538	15.2
97.10170	41.0
104.12106	4.9
105.07017	18.1
107.08580	15.0
109.10172	14.8
111.11730	23.4
115.07578	9.6
119.08572	11.7
120.71399	5.4
123.07967	5.2
123.11677	11.6
125.13263	10.1
133.10167	11.0
135.11664	8.0
147.11668	6.6
149.13220	10.3
154.75516	5.8
161.13176	7.7
165.12770	8.5
166.46764	5.4
175.14951	7.1
179.14383	9.7
199.55472	5.6
209.82951	5.5
216.23799	5.4
305.28357	6.8
341.26651	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63971	8.8
54.99516	9.3
57.47928	11.6
57.67598	9.5
75.46714	11.1
84.04498	55.1
84.08131	20.0
85.02898	23.0
87.94740	10.8
88.49037	10.5
97.02894	14.7
106.30592	12.1
117.68992	12.9
119.83923	11.3
127.03923	27.3
130.05022	53.2
147.07674	59.3
159.34851	11.6
181.89960	12.1
213.07484	56.3
215.18161	14.0
229.94405	12.6
245.49762	13.9
252.63011	12.4
265.93005	12.6
275.76416	12.4
324.10623	40.7
342.11728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89322	1.1
57.03419	8.3
61.02904	2.0
69.03416	8.6
70.06545	1.4
71.04983	1.4
71.08611	6.1
71.08990	1.2
72.08131	5.3
73.08472	1.7
75.72593	1.4
81.07034	5.5
85.02898	26.6
85.03380	2.8
86.09686	3.7
87.09996	1.4
97.02871	5.8
99.04469	2.1
99.08083	20.9
109.06485	1.9
117.09119	100.0
127.03917	5.7
127.07551	5.5
127.82756	1.4
145.04988	4.6
163.09642	13.3
194.60370	1.6
211.16495	4.1
212.16742	4.0
264.96722	1.5
266.19882	1.6
279.74277	1.8
282.24442	6.5
341.31512	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86375	8.2
52.91385	8.4
57.80952	7.3
59.36762	9.4
61.80220	8.7
67.05492	20.0
69.03430	13.2
71.04984	36.9
73.88998	9.0
81.07019	14.5
84.04488	100.0
85.02897	36.7
91.05475	22.9
93.07046	31.1
97.02885	18.8
97.06521	16.6
101.14040	8.6
102.05524	48.1
103.73379	10.1
107.08566	9.4
107.59370	10.5
111.08057	16.8
114.64725	8.8
121.66180	9.4
127.03921	11.6
130.05029	35.6
131.08511	9.8
145.04933	13.2
148.05994	56.1
155.28928	9.8
177.12794	23.9
182.95074	10.5
219.24614	10.5
220.47386	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13466	1.5
53.98266	1.2
57.07077	13.5
58.06614	1.6
62.06078	5.7
69.07063	1.5
71.08621	5.8
71.51179	1.3
72.08158	2.3
84.00607	1.5
85.02913	2.5
86.06259	1.6
124.70671	1.7
127.03910	2.1
145.05014	2.3
156.17593	2.2
161.21706	1.5
174.18571	6.6
179.75797	1.8
202.40849	1.7
230.24756	4.7
241.18912	1.7
324.40753	2.2
337.80432	2.0
342.37277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71725	6.6
55.01858	9.6
69.03423	42.5
70.06557	7.0
70.33591	8.2
81.03415	9.3
84.04494	27.0
84.08133	12.1
85.02892	100.0
97.02896	32.4
100.07649	13.2
101.02348	8.0
126.19913	8.1
126.89575	8.0
127.03922	60.9
130.05040	22.7
145.04985	39.1
147.07640	17.9
158.53822	9.0
159.77898	10.5
163.47687	9.8
196.06451	26.2
343.04352	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54787	1.3
52.75810	1.4
56.05032	2.9
57.03410	1.9
61.02918	1.9
62.41162	1.3
69.03423	7.5
70.06575	2.6
84.04498	44.2
85.02901	21.5
85.04840	2.5
86.03223	2.5
88.47514	1.7
97.02892	7.1
100.07619	21.4
102.05540	14.9
106.46053	1.6
110.97668	1.6
111.81640	1.7
114.09158	6.4
127.03917	11.0
128.04314	1.7
130.04999	20.0
131.05365	3.5
145.04987	5.4
147.07684	5.8
148.06035	31.3
148.07903	2.8
196.06386	100.0
209.70540	1.8
238.26678	2.0
269.52618	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39610	2.5
56.96564	4.1
63.62241	3.4
65.12656	3.4
66.40330	2.8
67.05493	5.7
87.01054	3.0
91.05481	24.1
94.99995	3.6
95.04958	5.2
105.03368	5.1
105.07038	4.3
128.06238	11.7
131.08490	4.2
139.99231	3.9
141.06987	5.8
142.55688	3.3
143.08554	14.0
152.06245	14.7
152.29903	3.8
153.06999	57.2
167.08517	5.0
171.08040	100.0
173.09627	14.3
184.48627	3.5
278.16321	3.9
310.18024	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18002	39.9
55.05516	35.3
58.89351	32.0
73.78235	41.3
88.01919	34.3
91.05476	52.5
93.07063	100.0
95.08628	56.1
95.15948	37.8
105.07076	80.1
119.65327	42.3
122.74194	38.9
135.08099	47.5
145.10182	90.5
156.83340	42.9
223.39349	45.4
231.01190	48.8
244.30379	57.1
358.91849	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	14.1
55.05496	23.1
57.03420	8.9
59.51405	9.0
67.05477	33.2
68.44217	8.3
69.03402	11.0
71.04972	22.6
79.05489	19.6
81.07037	17.9
81.90111	10.2
91.05466	41.6
93.07033	81.1
95.04955	59.7
95.08592	100.0
98.48446	9.5
103.33431	9.7
105.07011	68.2
107.08588	41.8
109.06506	18.9
113.96776	10.7
115.40785	10.2
117.07024	29.3
119.08560	32.3
121.06509	15.2
121.10096	20.9
123.08067	29.0
130.07756	20.7
133.10155	15.3
135.08038	21.8
135.11711	12.0
138.48859	11.7
139.26665	11.5
142.83557	10.6
145.10103	77.6
147.08124	13.4
151.07547	44.6
152.72681	11.4
163.11205	44.9
172.95438	12.3
179.07051	11.0
221.15428	17.9
264.17551	10.9
269.15482	12.5
304.18085	12.7
343.22696	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.82175	3.5
52.30462	3.5
55.01874	9.2
55.05514	15.2
57.03440	12.5
57.07085	7.7
59.05000	10.7
61.38982	3.7
65.03935	7.0
65.13618	4.5
67.05496	39.3
69.03437	13.8
69.07079	7.9
71.04987	26.9
79.05527	18.4
81.07055	29.7
81.87630	4.1
83.04993	5.2
84.57545	4.1
85.44738	4.1
87.67298	4.8
91.05477	31.9
93.07043	64.7
95.04961	79.0
95.08606	100.0
95.09152	7.8
97.06560	16.7
105.07030	86.1
105.07668	4.7
106.76864	4.4
107.08592	56.5
109.06559	12.8
115.05473	8.0
117.07057	17.9
119.08581	22.3
121.06541	19.0
121.10188	15.9
123.08040	23.2
130.07811	19.2
131.08612	10.0
133.06630	5.1
133.10188	10.5
135.08099	23.1
135.11717	10.7
140.00212	5.1
143.08589	12.3
145.10133	80.2
145.11241	5.5
147.08136	13.3
151.07544	36.4
153.09045	6.6
157.10220	9.7
159.11697	7.4
163.11172	57.8
163.12253	4.4
164.80965	4.7
165.09187	19.2
173.13324	8.4
175.85280	4.7
177.09145	4.7
187.11253	5.0
189.12784	7.9
219.54167	5.1
221.15347	27.8
275.34720	5.6
316.46710	6.2
325.21799	7.4
343.22562	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	Longithorol D
Peak:m/z	Relative Intensity
51.53287	12.0
65.03919	12.8
66.61591	11.6
67.05485	41.9
69.03423	15.6
70.84260	12.0
71.04968	25.2
73.63739	12.0
79.05484	23.2
81.07042	33.3
83.04963	15.7
91.05454	43.7
91.71617	20.0
93.07040	72.7
95.04953	63.4
95.08599	77.6
105.07040	100.0
107.08611	53.9
109.06495	15.9
110.61852	12.0
111.25254	13.5
117.07018	31.1
119.08567	33.8
121.06525	16.7
123.08051	29.2
135.11699	14.9
143.08618	15.4
145.10100	81.0
147.11794	15.7
148.85977	14.3
151.07579	41.4
157.10158	16.2
163.11147	44.1
173.34534	16.6
177.75441	14.3
325.21390	16.3
340.18677	17.2
343.22540	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41156	1.7
69.03422	3.7
72.63194	1.9
74.84744	2.0
74.95857	2.0
81.03454	2.2
82.96587	2.2
85.02904	20.1
91.05479	5.6
97.02893	5.0
104.96088	2.3
119.04934	15.9
145.05034	2.9
147.03220	5.3
147.04404	100.0
153.42210	2.3
165.05453	53.0
192.65625	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54456	1.2
52.73066	1.0
56.15678	1.0
69.03434	2.5
72.08142	9.4
74.20366	1.3
84.04517	2.3
85.02891	2.9
86.09697	100.0
100.11193	2.0
102.05532	1.5
109.02855	1.6
127.03930	3.0
128.10693	6.8
168.16240	1.6
174.69911	1.6
189.12292	15.9
205.07018	2.5
232.79410	1.7
241.46945	1.6
262.98199	1.5
292.71884	1.5
355.31058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44242	7.8
59.80476	7.5
63.85782	8.5
65.38946	7.8
69.12081	8.3
70.06573	36.2
72.08154	13.9
84.04449	11.1
86.09682	28.5
89.06031	100.0
110.07142	20.2
120.08191	9.5
130.08650	27.1
133.08607	49.1
136.07613	13.0
307.72375	9.8
327.19946	28.3
348.43646	10.3
363.56915	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2544
Annotation	Val Ile Leu
Peak:m/z	Relative Intensity
55.05495	4.8
61.99888	3.4
69.07055	4.0
72.08148	74.8
73.71789	4.0
74.69872	4.1
86.09699	100.0
89.68818	4.0
102.09341	3.7
185.16457	26.2
213.16000	17.0
214.83617	4.6
348.00427	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2543
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
55.05503	3.3
56.89255	1.0
61.03790	1.1
69.07058	7.8
69.30741	1.1
72.08146	48.4
77.91122	1.6
85.23044	1.5
86.09698	100.0
104.61580	1.2
122.86993	1.1
139.10913	1.1
168.30455	1.2
185.16476	30.2
213.15958	18.7
229.83824	1.5
231.16991	3.9
362.28131	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73232	5.8
57.07066	8.4
64.54498	6.6
70.06609	29.2
88.07616	48.8
100.11292	26.3
104.99290	8.5
106.08667	100.0
133.35512	7.2
154.76485	8.4
170.28416	9.5
189.64993	8.0
344.31653	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03070	4.4
71.53988	3.8
82.67845	4.4
91.05471	56.1
91.77592	4.6
100.11245	42.5
104.31379	4.8
104.99287	30.1
105.03344	10.5
105.07026	100.0
117.07024	11.3
179.08549	6.5
194.07317	13.8
195.45334	4.7
205.10117	9.0
207.07999	23.2
216.09250	12.1
222.10497	9.0
222.82661	5.2
223.11209	9.0
231.11708	12.0
262.98254	16.9
283.14813	8.2
303.43527	5.1
309.16519	7.0
327.17429	31.3
331.10919	6.1
345.26309	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1849
Annotation	alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene
Peak:m/z	Relative Intensity
52.93525	1.3
54.42471	1.6
58.50739	1.4
58.61365	1.5
61.36549	1.8
68.76199	1.8
79.05459	3.9
91.05470	40.4
95.04977	2.8
100.11253	20.5
103.05470	5.0
104.99261	11.3
105.03362	4.8
105.07024	100.0
115.05500	2.3
117.07018	7.9
121.06508	5.0
124.66425	1.7
132.42044	1.8
145.06453	3.8
156.28542	1.9
160.57016	2.0
165.06927	1.8
167.08591	3.0
178.07863	1.8
179.08505	2.5
181.10078	3.1
194.07268	15.7
203.08609	5.1
205.10086	4.3
207.07999	15.8
209.09703	5.0
215.08569	7.7
216.09392	13.7
222.10304	11.4
223.11145	6.0
231.11655	26.2
246.11429	2.0
262.98126	3.4
272.50745	2.1
281.13150	2.7
302.09286	2.0
309.16321	5.7
327.17438	19.1
345.26291	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21185	4.5
73.97923	5.1
76.22151	5.8
76.43546	4.8
79.76490	4.7
91.05479	53.6
95.08553	5.7
100.11262	52.4
104.63895	6.3
104.99272	34.3
105.03360	31.8
105.06393	5.2
105.07026	21.9
107.04919	6.4
112.56740	6.8
115.05486	6.9
128.23563	6.1
129.06999	13.8
131.08565	100.0
133.06506	9.9
145.06488	11.9
148.73283	6.6
215.97572	6.5
223.11169	12.6
251.14172	8.2
262.98132	16.8
265.20145	10.8
345.26520	14.2
354.89224	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38726	0.7
52.62442	0.8
53.33844	0.6
58.06606	1.0
72.08147	7.2
79.73249	0.7
84.04568	0.8
85.08916	2.6
100.11246	100.0
117.43695	0.8
120.08096	1.4
130.06525	0.9
163.03911	1.6
244.14458	1.5
309.34885	1.0
339.30569	1.3
345.26468	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51988	1.5
58.06576	3.0
59.84258	1.8
63.30457	1.6
70.06576	3.7
72.08153	4.0
74.87449	1.9
75.23016	1.8
76.93993	1.7
83.04957	3.3
84.04488	4.0
84.06866	6.2
84.08110	2.0
85.07664	15.5
86.09693	5.0
91.05473	5.7
100.11238	3.8
111.07950	12.6
116.05827	5.5
116.07062	2.1
118.57343	2.4
120.08100	14.1
124.08719	5.4
130.06548	2.6
139.07393	58.5
174.12827	5.5
180.05818	2.0
194.63901	2.5
202.13373	17.1
204.14929	4.1
214.13411	3.7
230.12857	100.0
242.30803	2.0
258.19641	22.5
286.19141	42.0
345.26505	17.5
353.42474	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02758	1.8
58.06593	3.8
58.65575	2.1
63.74353	1.9
69.42237	2.0
83.04986	2.9
84.06911	4.8
85.07661	13.9
91.05480	3.9
104.83424	2.1
111.07925	11.4
120.08092	16.9
124.08703	5.1
139.07399	46.8
156.86113	2.3
167.14189	3.1
174.12762	3.3
202.13408	16.1
204.14891	2.8
214.13391	3.9
230.12865	100.0
258.19635	26.7
263.14551	2.9
286.19089	35.4
286.22061	3.7
329.72922	2.9
330.18872	2.9
345.26334	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	3.4
60.08152	5.7
61.02906	1.1
69.03425	1.6
70.06586	10.0
72.08144	14.1
78.78223	1.1
84.04491	4.8
85.02898	3.4
85.05271	3.9
86.06059	4.3
86.09696	13.7
88.18968	1.1
96.04467	2.2
100.07609	100.0
100.11276	2.3
102.09186	2.3
112.08702	1.7
114.12825	1.8
116.07089	3.0
121.06476	1.8
122.06998	1.8
129.10236	1.6
166.09729	1.4
170.11758	1.3
185.16487	7.8
189.08765	4.8
213.16061	1.2
229.19110	10.9
231.56532	1.3
244.63477	1.3
301.25961	16.0
345.18915	2.6
345.22504	5.0
345.28592	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23019	2.3
56.16445	1.9
56.96563	22.3
62.77765	2.1
65.62089	2.0
84.96050	4.9
94.63859	2.4
98.97581	100.0
100.11247	7.2
112.99097	14.2
116.98616	45.6
120.71265	2.5
124.95476	3.6
131.00188	16.1
134.99652	13.1
140.00186	58.9
140.01271	3.3
142.96573	3.9
146.82556	2.6
148.15630	2.6
149.01210	11.4
154.01762	16.5
158.01181	17.8
158.99640	28.2
172.02811	8.9
173.01216	32.7
177.00711	13.4
177.50798	2.8
181.02774	14.5
182.01303	4.6
183.99207	2.7
191.02278	17.9
195.04427	7.8
200.02309	34.7
201.00769	7.6
202.98708	9.0
214.03854	48.0
219.01807	8.8
223.03972	7.1
226.00232	10.5
242.03372	9.3
244.99689	24.3
268.01233	16.6
286.02383	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	18.0
84.96014	5.0
98.97576	100.0
100.11259	16.2
112.99139	12.1
114.12826	4.9
116.98618	41.9
131.00185	13.8
134.99657	15.1
140.00183	62.2
149.01237	10.2
154.01772	16.3
158.01274	17.0
158.99644	23.1
160.97571	4.7
172.02852	8.8
173.01222	30.1
177.00711	18.8
181.02835	21.1
182.01151	4.7
186.00821	5.4
191.02275	13.6
195.04399	10.1
200.02330	35.6
201.00783	9.0
202.98607	6.8
214.03868	49.0
219.01711	5.0
223.03766	6.7
226.00282	19.3
233.37180	3.7
242.03410	13.7
243.81808	3.7
244.99638	29.5
268.01242	11.6
286.02338	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16981	6.9
56.96545	26.0
61.17638	8.1
62.47295	7.0
72.08179	8.9
73.24392	7.3
98.97577	100.0
100.11259	63.9
111.96167	9.0
112.99113	8.2
116.98615	53.4
131.00169	25.0
134.99686	16.1
140.00194	75.5
149.01221	11.7
154.01726	28.9
158.01236	26.4
158.99698	22.4
161.09691	8.8
173.01193	41.7
177.00706	21.0
181.02870	34.4
185.01941	8.9
191.02202	10.3
195.04398	26.9
200.02399	40.8
214.03844	60.7
226.00278	21.8
244.99782	30.3
268.01233	17.9
286.02307	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	34.4
62.80838	5.3
98.97575	100.0
98.98199	6.3
100.11245	43.6
112.99142	9.6
116.98624	50.8
125.47621	5.8
131.00168	8.8
134.99710	9.7
140.00198	74.3
149.01242	15.5
154.01718	17.0
158.01274	30.2
158.99660	27.7
160.97568	7.7
167.21234	7.1
172.02750	14.8
173.01196	30.2
177.00716	11.4
181.02838	21.3
184.70772	6.4
191.02168	8.3
195.04572	11.1
200.02301	38.9
201.00706	10.1
202.98637	8.8
203.13805	6.6
209.02368	7.2
214.03864	52.1
219.01814	7.2
226.00246	12.8
242.03378	12.2
244.99643	19.4
268.01398	11.3
286.02444	12.9
345.26694	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40120	3.2
56.96558	29.8
63.50045	3.2
70.06577	4.7
81.07060	3.7
86.00947	4.8
98.97575	100.0
100.11247	27.0
111.09336	4.2
112.99132	7.7
113.68214	4.6
116.98607	44.5
131.00151	12.6
134.99657	15.2
140.00177	64.5
149.01228	12.5
151.52939	5.8
154.01761	18.7
158.01265	26.5
158.99644	23.5
160.97588	8.3
172.02831	11.4
173.01175	34.5
177.00716	16.3
181.02853	33.5
182.01218	4.7
183.99165	7.8
191.02272	10.8
195.04402	13.7
200.02312	45.7
201.00754	9.8
202.98669	4.8
214.03860	57.1
219.01888	6.4
225.43629	4.5
226.00150	19.9
242.03403	15.9
244.99710	25.1
268.01297	14.6
286.02338	14.8
333.94138	4.4
345.26547	4.8
354.59103	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52654	7.3
58.99580	10.1
60.08149	10.9
67.05487	8.2
70.46618	5.8
71.26641	4.8
72.08144	12.4
76.02202	20.3
79.05482	13.5
86.09695	28.2
87.10043	10.1
91.05465	57.3
91.82451	5.3
93.07044	6.1
105.00110	13.6
105.07018	57.7
107.04938	7.9
107.42487	5.5
111.68079	6.6
114.47765	5.6
117.07001	21.1
119.08566	73.8
122.02708	84.1
128.06215	14.8
129.06987	13.1
133.10149	32.7
143.08553	16.7
144.82480	5.8
147.08038	42.4
161.09624	100.0
171.07907	6.3
175.74994	7.1
179.10695	42.1
189.09081	66.7
191.95557	6.2
207.10208	32.5
239.14812	6.5
248.90782	8.2
262.66278	6.4
346.21152	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17588	2.1
53.38641	2.3
53.78123	2.1
54.16735	2.0
55.05490	3.1
58.06579	7.0
60.08155	100.0
62.06283	2.0
65.84837	1.9
83.04937	2.9
96.06785	2.5
97.55136	2.2
101.73711	2.2
105.45610	2.4
118.06579	3.8
123.95178	2.4
130.06508	21.2
132.08096	7.4
144.08063	3.6
146.05957	14.3
159.09143	21.7
170.06013	2.4
185.07106	21.6
188.07037	20.4
231.07672	4.6
247.23080	2.9
269.84415	2.6
293.15161	2.7
346.21237	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3101
Annotation	Funtumafrine C
Peak:m/z	Relative Intensity
57.07080	2.5
59.73244	2.1
65.03919	3.4
65.49191	1.9
71.08624	2.2
72.09816	2.0
91.05476	100.0
95.05235	2.3
114.12867	2.5
117.23080	2.6
141.30051	2.4
170.63136	2.4
182.15138	3.0
265.51181	2.5
272.91483	2.6
316.74026	2.5
346.30981	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78766	1.8
57.07069	11.2
58.06587	4.0
59.42609	2.0
66.41605	1.8
66.93774	1.9
70.06583	29.6
71.08586	5.7
88.07207	2.0
88.07632	32.8
97.40114	2.2
102.09154	19.9
143.79732	2.6
152.76532	2.4
244.63947	2.4
247.82878	2.5
284.29480	45.6
328.32059	6.3
346.33136	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90148	2.3
57.07047	12.9
66.95547	2.4
68.05775	2.4
70.06582	31.7
71.08611	6.6
80.72161	2.8
83.12643	3.1
85.91827	2.4
88.07613	25.5
88.08122	3.9
88.79677	2.6
100.11227	5.3
105.94602	3.1
114.09163	4.6
130.84256	2.6
132.10207	26.4
137.05914	2.5
137.24858	2.7
150.11256	23.5
227.64873	2.8
264.10300	3.1
287.23831	3.1
302.30603	6.7
346.33124	100.0
347.33273	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31643	1.2
58.99656	1.4
70.06597	9.2
72.08134	2.7
73.76456	2.1
81.96159	1.8
84.04499	4.5
86.09692	3.5
96.59023	2.3
97.07629	9.4
98.06048	100.0
101.96349	2.1
104.01331	1.7
115.08679	6.9
120.08083	2.9
120.92077	1.9
127.03909	2.0
130.06557	3.5
146.06067	2.3
159.09178	3.2
178.92157	2.5
188.07085	3.3
205.09631	2.5
211.14682	1.9
284.13892	2.6
310.58582	2.2
329.16058	16.1
330.14572	8.8
347.17191	3.4
350.21915	2.1
351.49954	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0703
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
51.20224	0.6
66.85173	0.5
69.03424	0.8
72.08146	0.7
84.04496	2.7
89.76899	0.5
90.05534	2.0
91.46682	0.5
91.56287	0.5
94.19962	0.6
97.02884	8.8
119.03554	0.9
130.32513	0.7
136.06183	100.0
137.04553	1.1
137.06522	1.1
147.29018	0.7
152.40210	0.6
156.06598	0.9
191.50876	0.6
219.09915	0.8
269.73639	0.7
316.33801	0.7
348.07004	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.9
58.05383	1.9
60.04521	3.0
61.02896	2.4
67.05497	2.4
69.03420	9.0
70.06577	6.2
72.07789	1.9
72.08149	8.3
72.30508	2.2
72.85130	1.9
73.92721	2.0
81.03419	4.8
84.04486	4.4
84.13920	2.3
85.02895	31.8
86.09706	11.6
91.71626	2.4
95.04975	3.3
97.02878	17.2
98.44659	2.4
103.34219	2.4
110.51547	2.8
123.04421	99.9
124.66563	2.2
127.03931	3.5
136.06177	100.0
138.05525	2.1
138.89781	1.9
145.04910	4.5
151.03864	23.0
169.04959	43.5
174.42284	2.7
174.43790	2.5
180.08684	4.8
185.11267	2.7
192.06577	2.7
346.31830	3.0
348.07010	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73040	1.1
56.76291	1.2
58.06596	23.0
58.42814	1.4
59.07363	3.7
59.87801	1.1
59.95900	1.1
60.07867	3.0
60.08156	52.5
62.25198	1.1
65.88636	1.4
67.05499	1.6
70.06590	1.6
72.08152	2.0
84.04487	2.8
85.05265	6.1
85.05757	1.8
86.09698	2.3
100.07612	88.0
111.10464	1.3
118.06522	4.6
130.06522	20.1
132.08075	6.0
139.53011	1.5
142.06493	2.0
143.08919	1.4
144.08087	4.2
146.06003	10.3
157.07617	3.4
158.05997	2.5
159.09143	19.2
170.06042	5.4
184.07471	2.1
185.07101	12.0
188.07083	10.1
194.15427	2.0
225.10153	2.1
348.19147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41029	12.9
51.70033	17.5
51.87619	13.9
55.05509	33.6
57.03445	12.6
67.05490	93.7
69.11263	13.6
69.48618	14.6
79.05513	18.3
81.07059	30.8
88.72380	14.9
93.07091	26.9
109.10187	75.6
126.81256	18.5
142.36510	18.6
153.01823	22.3
153.48167	16.4
155.10707	19.6
158.79681	15.4
173.11696	100.0
195.13710	18.9
277.21646	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45381	26.6
54.51250	27.3
57.07074	36.2
72.41734	30.5
78.18520	30.3
88.11233	42.8
107.04958	34.4
110.18409	33.5
162.80899	38.1
227.03291	39.6
236.16426	100.0
292.22650	65.2
302.59055	38.8
346.56406	42.9
356.34012	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58901	3.1
51.49888	3.1
58.78119	4.0
69.03401	11.8
70.06582	9.4
81.03407	15.9
81.07045	8.9
84.04500	12.7
84.08122	5.0
85.02882	6.4
109.02855	11.4
109.32179	4.1
119.04874	6.2
120.02291	4.2
122.02722	6.8
127.03915	22.1
132.01160	4.2
147.04393	11.3
164.72713	5.0
202.08952	4.7
288.08203	4.6
349.08914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81185	6.3
91.71767	18.0
205.39514	10.2
225.04231	9.1
349.21078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50436	23.2
57.03430	35.7
57.61852	17.1
67.05507	57.4
69.07083	46.5
77.79489	22.8
79.05485	32.6
81.07078	52.8
82.79111	20.0
90.15848	22.9
91.05510	100.0
93.07059	49.4
95.04934	33.1
95.08647	67.4
103.83041	23.0
107.08617	37.7
117.94234	20.9
119.08571	34.8
121.06532	47.7
131.08563	24.0
133.10170	28.1
145.10150	27.9
147.08104	26.7
275.20190	92.6
294.43121	24.0
305.54404	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92775	32.3
61.94434	40.5
62.88118	37.5
67.05496	100.0
69.07036	45.2
79.05486	55.9
81.07037	71.7
91.05466	53.8
93.07033	64.1
93.62568	42.6
95.08575	48.2
103.95338	39.6
105.07030	71.9
111.69083	40.6
119.08603	58.9
133.10138	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	31.1
56.21363	32.8
56.96565	38.2
67.05499	60.0
69.07015	34.5
79.05512	34.9
81.07053	94.4
81.21326	33.6
88.10005	32.7
89.78826	30.7
91.05496	79.8
93.07055	52.3
97.98669	30.3
105.07033	77.7
117.06997	45.5
119.08635	57.8
121.06499	42.7
127.47059	41.4
142.56004	35.8
203.14761	34.5
209.63087	39.9
253.32176	36.5
275.20087	100.0
293.20654	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49711	11.8
55.05492	23.1
60.29419	10.1
63.31934	11.5
64.42442	11.3
67.05507	45.6
69.07072	32.0
79.05502	37.4
81.07068	54.4
91.05449	71.5
93.07033	95.1
95.04971	33.4
95.08624	45.9
105.07014	100.0
107.08608	58.8
109.10170	55.9
117.07069	18.8
119.08570	79.9
119.92062	14.0
121.10139	81.9
125.26388	15.3
131.08627	49.3
133.10155	50.7
134.01678	15.5
135.08151	17.0
135.11774	20.3
142.07735	17.7
143.08575	33.2
145.10187	65.5
149.09683	18.6
157.10167	45.2
159.11691	34.7
161.09711	21.4
164.63643	14.9
173.13260	19.1
185.28220	14.1
187.14815	16.0
209.13373	25.9
216.04121	13.7
223.46318	17.5
237.16428	16.2
349.25348	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01841	6.9
55.05494	20.2
57.07060	6.7
57.83714	6.4
61.63696	7.1
67.05505	47.3
69.07050	22.2
70.36426	6.0
74.47210	6.6
79.05476	22.3
81.07041	46.9
91.05486	43.0
93.07033	67.0
95.04969	32.0
95.08602	43.1
97.06557	7.8
105.07028	100.0
105.99030	6.0
107.08582	49.1
109.06503	12.1
109.10165	44.7
117.07030	15.8
119.08571	78.0
121.10150	64.4
123.11671	9.6
128.06197	19.9
129.07042	20.7
130.07739	9.2
131.08580	41.9
133.10091	34.6
134.76131	6.7
135.11678	15.8
141.06892	7.0
142.07797	26.9
143.08586	24.7
145.10112	44.7
147.08093	8.3
147.11714	17.4
149.09578	11.1
155.08624	11.9
156.09344	8.7
157.10150	28.1
159.11693	20.5
161.09628	16.7
161.13254	14.2
167.08565	9.4
169.10106	13.6
171.11668	22.3
173.13220	10.0
175.14894	9.0
183.11690	10.9
185.13272	8.7
187.14772	12.6
195.11722	12.6
197.13214	11.9
227.14288	8.2
239.28105	7.5
244.53804	7.2
293.19000	11.0
349.25272	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.04758	3.3
52.05428	3.2
57.07067	5.9
69.07049	4.1
70.01118	3.0
71.08620	5.1
73.46798	3.2
73.86286	3.1
81.07061	11.2
95.08598	10.0
107.20016	3.4
109.06509	23.0
109.60471	3.6
115.31358	3.4
119.08575	4.7
121.68366	3.3
123.08048	33.0
133.10175	4.0
147.08084	4.0
153.03171	4.1
164.33113	4.4
178.00658	3.3
179.14296	100.0
185.35318	3.9
193.16176	3.6
204.74223	3.5
349.27371	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.13631	6.6
55.05502	12.2
55.85897	6.3
57.07071	7.1
60.17493	6.1
64.72694	6.9
67.05492	17.1
69.07052	23.8
74.58148	6.3
77.63597	7.2
81.07050	20.3
86.81670	6.9
92.25228	8.1
93.07032	15.3
95.08595	15.0
98.83848	8.7
107.08607	11.5
109.06488	12.0
116.26512	7.7
119.00253	7.5
123.08058	81.6
135.08034	10.8
293.21118	24.3
307.88657	8.7
312.23132	10.1
317.04913	9.1
349.27322	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.43695	14.9
67.05472	23.6
69.07051	27.9
95.08582	23.2
109.06543	18.0
111.85490	15.6
112.75271	16.6
114.47298	17.8
115.85011	16.2
123.08038	100.0
234.00539	17.5
293.21213	24.6
349.27206	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
57.07057	8.1
58.54062	4.9
65.86547	5.7
67.05468	6.7
69.07056	5.2
73.31470	6.5
77.29060	5.0
81.07047	9.8
83.08631	7.1
93.07016	11.6
95.08584	13.9
105.07037	9.3
107.08640	6.1
107.66032	6.4
109.06503	17.9
119.08604	11.9
121.10188	7.1
122.73806	6.1
123.08044	23.3
179.14293	100.0
179.48004	6.1
231.33543	6.6
244.66971	7.5
264.90573	6.8
342.50259	7.9
349.27286	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74305	1.9
51.92616	2.1
52.49584	2.1
53.20354	2.0
56.89600	1.9
58.21814	2.1
61.57547	1.9
62.11967	2.1
82.02948	3.6
84.04494	41.5
84.08101	2.6
88.80273	2.4
94.25761	2.4
128.89844	2.8
130.05025	5.2
130.06519	49.1
132.04449	30.5
142.60876	2.2
155.15529	2.7
157.07616	21.3
158.06007	68.2
175.08658	100.0
203.08203	4.9
221.09183	76.3
273.33850	2.5
287.10153	3.3
324.16595	2.5
350.13406	5.5
370.53433	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52831	4.6
61.12680	5.0
61.66687	4.0
63.95889	4.2
64.65367	5.3
69.57525	3.9
70.06580	17.2
74.77834	5.7
84.04490	51.1
130.06526	57.0
132.04471	35.8
157.07628	22.5
158.05971	76.1
158.14679	5.6
175.08646	100.0
221.09198	84.7
244.24754	6.4
293.89478	7.1
367.82150	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57667	2.7
53.00306	2.6
55.05490	4.6
56.05033	7.7
60.04513	6.2
67.05496	3.7
68.05010	12.6
69.03411	13.7
69.07057	12.0
70.06588	14.7
72.04501	3.5
79.05477	3.7
80.05003	12.9
81.03410	14.1
83.08614	4.2
84.04493	41.0
93.07017	4.9
95.08562	3.8
96.04482	100.0
97.02890	12.5
97.05308	3.1
97.06564	4.4
98.06043	29.4
108.48218	2.9
114.05525	8.4
122.06045	4.1
124.49242	3.2
126.05514	36.5
134.47650	3.3
144.06555	72.8
151.92624	3.5
162.07614	5.6
164.07085	4.7
165.07521	3.2
167.28802	3.2
183.98833	3.4
233.32094	3.4
314.19638	8.3
332.20676	7.8
367.36618	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	9.0
60.44932	8.2
65.53932	6.4
68.05012	11.0
70.06578	31.1
73.31243	6.5
80.04991	8.4
84.04488	17.9
96.04494	10.1
97.06503	7.7
98.06036	34.3
126.05525	38.1
127.03992	8.5
136.69894	8.3
144.06554	100.0
162.07599	13.3
200.20073	8.4
244.22649	17.6
300.14392	9.2
350.29135	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	24.2
58.84980	10.7
66.21311	13.8
70.23678	11.8
72.92956	12.1
81.17687	13.4
95.04965	22.8
131.90646	13.9
144.59682	13.4
162.75783	15.1
188.30714	13.2
211.25798	13.0
221.15263	72.0
227.95560	13.3
266.21219	100.0
350.27103	18.6
353.94675	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20229	9.7
54.78288	9.6
60.04509	20.0
64.99400	9.0
67.66607	9.2
67.79322	10.3
68.05025	11.8
70.06580	29.9
70.25231	8.9
71.20646	8.8
78.39159	9.2
81.07066	9.9
92.28706	9.1
101.38857	12.4
109.30814	9.3
112.13512	12.3
116.88147	9.3
119.06078	9.4
126.05521	16.6
144.06552	47.3
146.11841	13.3
209.13661	10.5
241.23767	12.5
244.22687	44.2
248.16164	10.7
269.50394	12.1
350.29004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.4
60.07865	6.2
60.08155	100.0
67.05491	5.3
69.07053	5.0
71.08620	10.1
81.07041	12.1
87.70224	4.7
93.07025	8.7
95.08604	8.7
96.05425	4.2
107.08567	5.0
165.12721	5.7
221.91225	5.0
252.23213	13.1
278.39761	4.9
350.30484	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98448	3.9
53.00298	6.9
55.05518	23.8
56.94475	4.3
57.07072	10.9
67.05517	12.3
69.07063	44.6
71.08626	45.9
81.07084	14.0
83.08626	14.1
86.06033	5.5
88.11259	100.0
89.06039	5.3
91.05503	5.5
92.44514	4.9
95.08605	12.1
97.10163	7.9
109.10191	6.1
114.09127	6.7
119.40744	4.5
151.09738	9.3
171.01282	4.7
175.94696	5.3
184.17131	5.9
249.75224	5.1
261.69440	6.4
350.34082	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	7.4
68.99776	9.0
69.03417	8.3
70.06570	29.0
70.23413	7.1
73.48658	7.2
78.56437	6.7
79.75263	6.9
85.02894	23.5
85.68559	7.3
85.83134	7.5
91.05466	18.5
105.07010	10.9
115.05466	13.2
117.07027	14.1
121.06507	18.6
128.06183	8.7
129.07007	18.8
131.08578	14.0
133.06526	11.7
144.05635	14.1
145.06546	15.9
147.04466	20.5
151.07430	9.1
153.06953	9.9
155.08458	10.2
157.06448	40.9
158.07243	34.5
159.08104	42.6
175.07597	22.7
177.87334	9.3
183.08084	20.5
185.05989	12.4
187.07600	19.5
191.07089	16.2
201.09102	29.9
203.07043	17.4
211.07541	28.7
229.08600	100.0
247.09656	90.7
360.72510	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45752	22.2
51.65759	22.9
55.05498	30.3
69.07072	50.7
73.46339	22.3
81.07042	71.1
89.17974	25.2
91.05483	36.7
93.07032	42.3
95.04977	28.8
95.08597	62.3
105.07018	100.0
107.08622	51.8
109.10165	50.2
119.08563	99.2
121.10145	85.0
125.09618	31.1
130.37950	27.5
131.08539	70.8
133.10144	90.7
135.11693	29.0
145.10176	66.7
157.10130	57.7
159.11728	55.7
183.11758	47.6
187.15054	31.2
221.13214	34.5
240.33507	29.8
330.59781	32.9
351.23239	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36523	14.8
51.22157	15.8
51.50343	16.3
55.05527	32.5
57.03441	27.6
63.20004	16.0
67.05518	74.4
69.07089	29.4
71.08631	66.8
72.04535	95.4
79.05510	40.0
81.07078	82.6
84.17125	21.9
91.05495	42.6
93.07047	54.5
95.08615	55.5
96.31593	24.4
99.08118	28.1
105.07036	24.4
107.08641	42.2
119.08528	24.8
121.10112	24.9
135.11749	39.5
151.11151	21.7
161.13246	29.9
163.20306	21.8
179.14403	96.3
277.21805	34.2
310.30988	100.0
351.25473	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	34.4
57.03423	30.1
59.29687	14.1
62.17444	16.3
65.58253	15.1
65.71828	13.7
67.05498	100.0
69.07043	16.6
71.08624	48.5
79.05486	43.1
81.07055	71.1
81.56441	17.5
83.08628	27.6
86.50774	16.9
89.98489	18.0
91.05478	81.1
93.07032	71.5
95.01095	15.6
95.08604	45.8
99.08116	36.3
105.07073	31.9
107.08591	28.8
109.10183	23.5
119.08585	36.4
120.54453	15.7
121.10161	25.6
133.10168	25.9
135.11678	25.1
151.11157	24.4
179.14365	67.0
184.15607	17.2
193.07245	18.6
259.20386	24.8
277.21600	32.7
351.25412	49.4
351.75998	20.0
363.96597	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50074	13.4
55.05489	31.2
56.07947	12.1
57.03434	17.5
62.81834	14.7
63.30930	12.5
66.03271	11.8
66.03630	13.6
67.05489	80.2
67.52681	15.3
69.07053	29.3
79.05462	73.6
81.07055	90.9
91.05454	94.7
91.71724	27.2
93.07031	100.0
93.96378	17.6
95.04918	17.1
95.08582	47.8
103.75758	17.2
104.75527	17.0
105.07024	82.4
107.08580	59.4
109.10146	42.3
117.07090	22.2
119.08562	81.8
121.10134	47.1
126.06918	14.0
131.08563	17.4
133.10117	48.9
135.11676	25.9
145.10101	16.6
147.11612	28.4
149.13203	32.3
159.11714	19.4
161.13298	82.3
171.11736	21.5
173.13248	21.0
175.14795	47.9
184.33395	15.5
185.13312	21.1
222.91927	19.2
241.19534	52.8
259.20599	77.1
270.40021	19.8
351.25320	65.2
362.94128	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43493	5.1
55.05516	35.1
55.05709	6.0
55.60937	6.1
57.03418	24.1
61.50401	5.3
67.05496	100.0
69.07050	29.5
71.08628	51.9
78.67892	6.0
79.05492	60.9
81.03391	8.5
81.07052	88.7
83.04964	12.7
83.08611	18.4
84.70010	5.7
91.05474	48.1
93.07036	79.8
95.04953	11.3
95.08602	57.1
97.06516	11.4
97.10168	14.1
99.08091	28.1
105.07016	34.4
107.04986	9.7
107.08588	50.1
109.10131	38.2
113.00267	6.5
113.01059	6.5
119.08574	30.2
121.10126	39.4
133.10121	26.1
135.11696	52.5
145.10110	9.8
147.11684	19.5
148.06915	7.3
149.13177	15.6
151.11182	25.2
161.13239	20.2
179.14281	68.3
195.89474	7.1
200.45432	7.3
223.09279	7.9
241.19426	10.4
259.20529	16.8
277.21619	42.0
322.72156	8.0
336.39801	7.5
351.25262	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	24.0
65.38898	6.0
67.05496	49.3
69.07060	23.1
79.05490	75.5
81.07036	68.7
83.08601	10.2
83.59761	6.7
91.05484	66.5
93.07038	100.0
95.04977	16.8
95.08607	46.5
99.08070	6.9
105.07014	72.9
107.08584	74.4
109.10176	14.9
117.07043	13.2
119.08572	59.7
121.10121	47.5
122.94750	6.9
129.93700	6.4
131.08574	17.2
133.10115	41.0
135.11664	47.9
143.08562	11.6
145.10091	12.7
147.11673	44.5
149.13252	20.6
159.11713	17.8
161.13275	30.6
171.11740	13.6
173.13345	10.6
175.14845	20.0
185.13200	12.8
238.07439	7.4
241.19525	29.0
259.20566	78.6
272.23358	8.6
277.21710	8.9
351.25259	53.5
366.47949	8.1
370.87958	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.9
55.05496	34.9
57.03425	29.8
65.54724	8.7
67.05499	100.0
69.07056	35.5
69.80869	7.9
71.08630	69.0
76.30806	9.2
79.05090	11.3
79.05489	67.6
81.07055	92.0
83.04968	19.7
83.08615	22.6
88.77598	9.1
91.05470	60.7
93.07028	86.5
95.04955	31.2
95.08608	60.6
97.06516	16.3
99.08092	38.0
105.07027	42.9
107.08598	51.5
109.10139	24.0
117.06999	14.9
119.08607	32.2
121.10126	22.0
125.72412	11.7
133.10097	19.9
135.11688	42.7
137.05948	25.9
147.11661	13.6
151.11209	19.2
161.13268	29.8
161.97980	12.3
179.14301	95.7
277.21631	41.3
351.25235	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64569	19.9
55.05509	29.5
67.05482	100.0
67.08949	23.8
67.73866	22.2
79.05472	63.4
81.07035	78.5
91.05479	67.7
91.71587	39.3
93.07047	49.5
95.08633	70.2
105.07028	71.2
107.67068	30.1
109.10169	39.2
119.08549	59.3
135.11716	41.6
147.11705	39.8
158.83455	29.7
168.58728	38.0
172.41681	29.7
259.20493	61.0
351.21509	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03828	33.7
50.51437	34.1
50.75985	32.1
55.95898	32.4
62.49317	34.3
63.78170	38.1
67.05500	66.3
79.05492	57.4
81.07021	45.0
88.09135	41.9
91.05474	100.0
91.71622	59.7
93.07032	77.8
95.08593	69.7
105.07050	72.3
107.49033	55.5
113.10654	45.5
119.08614	45.8
121.10138	48.4
124.61568	41.1
133.10173	51.5
134.10461	40.3
149.54138	43.4
201.24017	49.7
241.19420	55.1
283.30927	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36408	36.7
66.22107	37.1
67.05492	96.8
71.08627	41.8
81.07050	100.0
91.05470	53.5
91.85837	46.4
93.07041	62.2
99.08070	42.3
99.99237	40.5
105.10924	52.6
135.11639	53.8
147.11761	58.7
147.50482	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98389	16.1
55.05490	28.5
55.48085	14.3
67.05490	52.4
69.07048	31.8
79.05483	39.5
80.42130	17.4
81.07047	66.7
86.41969	17.3
91.05471	88.3
93.07034	100.0
95.04961	23.1
95.08611	50.4
105.07020	54.3
107.08584	39.6
119.08580	44.8
121.10116	46.8
125.22765	19.5
131.08563	30.3
133.10100	36.9
135.11679	26.4
145.10059	29.5
147.11688	42.3
151.11270	18.4
157.07439	19.2
159.11688	23.0
161.13232	26.4
169.27579	20.2
171.11723	28.0
185.13235	20.3
241.19502	24.7
259.20566	58.0
351.25290	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95889	2.3
55.01859	4.8
58.99588	3.1
59.92427	2.2
60.08151	3.2
67.05489	7.0
72.08148	4.9
73.02921	5.2
73.65216	3.3
74.00661	38.1
79.05513	4.0
81.07047	4.0
86.09727	3.8
88.03983	10.7
91.71703	5.9
93.07041	4.3
96.53204	3.2
97.01112	3.8
107.08580	4.9
109.10151	5.7
119.08593	5.9
120.01159	100.0
120.01989	5.5
120.08107	4.9
121.10159	7.9
131.08572	7.9
136.07607	7.3
140.01649	4.6
149.09610	5.6
155.74123	2.9
167.10806	2.9
252.10626	8.4
270.11575	5.4
298.11053	8.7
334.13211	11.3
337.68900	3.3
351.20920	3.2
352.14258	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01861	8.2
55.49835	2.9
56.10469	3.2
57.03413	4.7
61.02921	7.8
63.25498	3.2
69.03416	35.4
69.07051	11.1
72.08154	4.2
73.02913	5.3
74.05885	2.8
75.44138	3.1
81.03413	24.2
84.84226	3.2
85.02897	100.0
87.00814	28.3
96.62746	3.3
97.02892	32.4
99.04454	13.9
105.01856	54.1
109.02871	26.7
117.01796	3.2
127.03901	59.3
127.79179	3.1
129.01836	5.0
145.04901	21.9
146.04483	4.1
159.02936	12.2
172.29514	3.7
204.91231	3.7
231.05031	15.4
308.43561	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	6.0
57.07061	13.9
61.85290	3.7
69.07066	19.8
70.62909	3.7
71.08617	42.3
74.66891	3.5
83.08604	11.0
86.06063	4.2
88.11263	51.0
97.10166	6.4
107.91662	3.5
129.39885	4.2
156.13808	5.8
160.68428	4.4
170.15417	5.3
198.18544	4.3
203.65207	4.1
249.63068	5.2
323.42007	4.4
324.27213	5.0
352.35718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22251	3.0
57.07058	3.6
57.97843	2.9
66.43152	3.0
69.07063	5.3
71.08616	3.6
73.61713	3.8
74.28974	3.1
83.73396	3.2
85.10179	3.8
86.09692	44.9
86.22745	3.0
160.80379	3.7
177.21567	3.7
207.61205	4.3
225.18950	3.9
241.70436	3.7
282.62766	4.1
352.35712	100.0
352.39752	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58654	1.5
56.05011	1.9
69.03414	13.6
69.40861	1.8
70.06609	2.7
74.06050	2.0
75.97237	1.6
84.08141	4.9
85.22463	1.8
86.09676	3.7
87.04454	100.0
87.34532	1.7
91.68636	2.1
105.05499	42.3
108.30392	2.1
108.68524	1.9
115.09010	1.9
128.07088	9.3
137.40062	2.0
153.35385	2.5
155.07021	4.5
173.08125	4.5
191.09151	6.4
211.73880	2.0
222.15349	2.1
242.93230	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2331
Annotation	Capillolide
Peak:m/z	Relative Intensity
50.68752	3.6
60.08140	8.9
67.05497	4.8
69.03437	4.7
69.07057	10.3
70.06583	9.7
72.08146	100.0
73.53589	4.9
84.04492	28.2
84.08107	10.2
92.05760	5.2
97.06529	36.8
102.68296	6.0
124.07631	6.8
127.03262	13.5
130.04977	8.4
130.06500	24.2
132.08087	13.4
159.09157	54.6
178.68445	5.6
186.10628	14.0
203.60521	4.5
353.23309	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85744	37.4
55.05508	45.3
57.07072	46.2
64.28719	50.0
67.05507	84.4
69.09357	49.6
77.82384	48.0
81.07064	100.0
93.07025	73.7
95.08623	63.1
206.65671	55.3
266.29272	63.7
293.96683	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05525	13.9
67.05501	100.0
67.05826	8.0
69.07065	16.6
71.08630	8.2
79.05487	42.1
81.07048	88.9
83.08614	13.2
91.05505	36.2
93.07063	65.2
95.08591	58.8
105.07052	11.8
107.08627	32.8
108.66231	8.1
109.10200	23.4
117.07026	9.7
119.08611	14.6
121.10170	23.6
123.11746	17.8
126.31112	7.3
129.98631	8.1
131.08611	23.7
133.10165	7.3
135.11754	26.6
135.44794	7.3
145.10161	10.0
147.11774	8.8
149.13330	18.7
154.56175	9.3
159.11765	9.4
161.13394	9.7
163.14783	11.7
173.13344	13.0
187.14792	13.4
191.04044	9.1
204.52048	7.6
243.20987	16.7
257.28455	9.0
261.22159	52.5
348.80600	9.0
353.26941	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04101	7.8
55.05506	20.6
57.07057	11.1
65.65530	8.2
67.05499	98.9
69.07053	22.2
76.36315	8.9
79.05495	65.3
81.07047	100.0
83.44807	8.3
91.05477	38.3
93.07043	88.3
95.08617	66.0
105.07045	19.6
106.13013	8.9
107.08602	36.5
109.10176	33.0
115.18471	10.5
117.07049	12.7
119.08615	13.7
121.10136	50.5
125.50655	10.3
131.08600	25.9
133.10123	9.5
145.10179	13.0
147.11719	15.7
149.13263	12.8
159.11653	11.0
161.13339	15.0
163.14929	16.1
173.13266	16.5
243.21204	24.0
261.22159	79.1
270.52362	11.6
335.25687	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05505	11.9
57.03428	11.1
64.68650	7.2
67.05489	100.0
73.33931	6.5
79.05479	42.0
81.07051	83.5
91.05456	26.2
91.70950	8.3
93.07026	50.2
95.08595	55.6
105.07004	24.6
107.08588	18.2
108.84026	8.5
109.10159	34.7
114.99299	7.7
118.14671	9.7
121.10143	21.9
123.11710	13.0
126.73078	8.7
133.10101	15.5
135.11655	13.9
145.10078	13.2
149.13235	17.7
159.11751	10.0
217.33607	10.2
243.20990	20.6
261.22092	54.0
314.90213	9.7
335.77362	10.6
353.26755	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23490	12.3
52.23721	9.6
55.05497	22.4
59.43296	11.5
67.05486	97.3
69.07069	19.3
79.05480	45.4
81.07037	100.0
81.10953	10.9
91.05473	40.0
93.07030	80.7
95.08601	75.5
105.07056	19.1
107.08588	43.4
109.10133	33.4
121.10144	59.9
131.08589	22.2
135.11719	26.5
147.11659	15.4
149.13274	16.1
159.11717	14.6
163.14859	27.1
173.13309	15.3
177.16309	21.6
198.30580	15.2
243.21095	55.2
257.38892	14.5
257.54199	14.0
261.22107	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.87413	8.9
54.54043	8.9
55.01868	80.5
55.05495	51.1
57.03420	20.4
57.07063	29.3
65.03886	9.4
66.07456	8.8
66.77966	10.6
67.05493	94.5
69.07056	100.0
71.04990	16.2
71.08624	13.5
77.50449	9.4
79.05479	32.0
81.07053	91.6
81.58129	9.9
83.04980	21.9
83.08610	67.7
91.05476	25.5
91.71069	21.1
93.07039	73.9
95.08609	69.8
95.09095	10.0
97.06531	35.3
97.10176	14.0
97.40584	10.9
107.08601	53.5
108.71928	12.5
109.10165	33.0
112.02622	15.3
121.10156	34.7
122.72075	12.8
135.11707	37.9
137.13202	11.7
149.13239	15.9
153.12767	57.1
233.22850	16.2
261.22183	25.7
278.31409	12.4
279.23267	44.3
296.91403	15.0
353.26840	53.3
367.95682	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.6
55.18429	7.8
57.07060	11.3
67.05500	100.0
69.07052	17.4
79.05483	28.3
81.07053	88.5
83.08575	7.5
83.35227	7.2
91.05468	25.7
93.07026	45.0
95.08590	60.5
103.78246	6.9
107.08590	31.0
108.21239	8.4
109.10175	29.8
119.08578	15.0
121.10139	22.5
123.11756	17.6
128.48087	8.5
130.68951	8.6
131.08548	19.1
133.10167	12.6
135.11699	30.9
145.10202	13.5
149.13298	14.6
161.13237	12.8
163.14885	10.8
166.43556	8.3
194.12186	9.0
229.13530	9.1
243.21228	16.1
261.22119	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	17.4
56.58356	2.1
57.03414	3.0
57.07062	3.7
66.10876	2.2
66.47046	2.3
66.53289	2.1
67.05498	19.3
67.56324	2.5
69.07059	24.3
71.08624	24.6
79.05479	9.2
81.07046	42.0
83.08602	5.7
91.05457	7.9
91.71025	7.1
93.07036	26.1
95.04958	12.3
95.08597	33.1
97.06523	5.2
97.10168	4.9
99.08087	9.8
105.07018	12.7
107.08584	15.5
109.06528	26.8
109.10153	9.0
111.08056	4.0
119.08568	10.7
121.10165	7.4
127.89639	3.0
135.11673	2.9
140.49646	3.8
141.63803	2.6
143.10690	3.9
151.36369	2.9
165.12726	39.8
175.14873	4.3
179.14545	3.7
193.15898	7.9
235.16946	7.6
253.96074	3.0
257.75809	3.1
291.23141	100.0
353.26834	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17983	8.4
54.49121	9.4
55.05509	10.5
57.03395	9.7
66.16683	8.8
67.05489	91.1
67.08198	9.4
69.07072	12.3
79.04366	10.6
79.05479	53.1
81.07042	100.0
85.06532	14.7
91.05481	36.1
91.70932	10.2
93.07030	80.1
95.08577	74.6
103.46653	10.2
105.06999	15.1
107.08599	48.6
109.10167	29.9
109.90010	11.3
117.16856	11.7
119.72682	12.3
121.10148	33.7
129.40793	12.7
131.08606	17.0
135.11711	18.1
145.10107	21.3
149.13223	27.4
151.90517	12.0
154.12280	12.3
159.11653	14.2
163.14856	13.6
171.14851	11.3
207.09280	14.3
243.21190	13.6
247.67218	11.7
261.22195	50.5
299.49887	13.5
361.20987	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.08059	5.3
55.05503	10.6
67.05177	8.3
67.05501	100.0
69.07059	16.3
71.20016	7.9
79.05489	40.8
81.07050	100.0
83.08625	6.9
85.89723	6.5
91.05482	18.7
91.71146	9.7
93.07054	61.8
95.08609	87.8
105.07005	17.0
107.08596	34.8
109.10159	51.7
121.10149	27.2
123.11724	14.9
131.08551	18.6
133.10170	9.2
135.11719	21.0
136.99403	7.8
137.13159	8.1
149.13269	14.8
159.11658	13.0
163.14815	11.1
173.13310	13.5
178.40321	8.1
243.21127	20.7
261.22070	47.1
335.25867	11.5
353.26849	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.7
57.03439	5.6
67.05497	100.0
67.84618	4.6
69.07104	9.2
79.05485	43.6
80.83095	5.2
81.07049	88.1
81.43128	5.1
83.08628	6.9
88.46512	4.9
88.67783	5.2
91.05511	21.5
93.07046	71.0
95.08601	78.4
105.07073	14.7
107.08609	32.2
109.10184	19.2
115.53328	5.7
117.07050	6.7
121.10190	24.9
131.08617	17.8
133.10170	11.5
135.11740	20.5
145.10168	9.5
147.11671	6.7
149.13295	13.5
159.11778	6.2
163.14920	13.1
168.13260	6.6
173.13351	11.5
233.22688	5.8
243.21231	21.7
261.22116	52.0
311.79813	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82058	8.0
54.20493	7.2
54.45345	7.9
55.05495	11.0
67.05498	83.8
69.07050	18.3
71.08622	9.8
73.56392	8.6
74.67930	8.2
79.05486	43.5
81.07047	100.0
83.08586	12.5
91.05451	19.5
93.07027	64.3
95.08600	52.0
105.07040	18.0
107.08594	28.4
109.10146	29.8
111.16972	8.6
119.08600	14.7
121.10147	23.7
123.11749	11.6
129.07051	9.4
131.08495	12.9
133.10146	10.0
135.11639	12.9
145.10020	11.0
149.13239	16.6
161.06479	11.1
161.13242	11.1
163.14954	14.5
243.21085	23.4
261.22134	77.1
353.27014	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18479	3.6
53.03954	3.8
55.05523	14.8
56.32056	4.2
57.03439	8.1
57.07082	5.6
67.05499	100.0
69.07074	12.8
71.08612	5.9
79.05476	39.5
81.07050	81.0
83.08636	12.4
85.06563	10.6
91.05463	33.1
93.07037	54.6
95.04949	5.4
95.08599	58.0
99.08090	6.4
103.03969	6.6
105.07039	18.7
107.08580	37.0
109.06580	5.8
109.10179	20.3
109.99944	4.9
117.07076	9.4
119.08647	13.8
121.10130	31.0
123.11744	7.6
131.08630	16.8
133.10153	8.1
135.11734	21.0
137.03520	4.8
137.13316	4.9
137.74042	5.4
145.10152	13.3
147.11732	7.8
149.13297	12.9
159.11740	10.5
161.13293	10.8
163.12650	5.1
163.14871	19.7
173.13338	9.6
177.16431	12.7
233.22725	6.9
243.21111	34.3
261.22061	41.4
282.41446	5.2
335.26160	7.6
353.27121	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	15.7
60.75826	16.1
67.05515	86.7
79.05495	42.3
81.07052	100.0
91.05499	30.0
93.07057	51.2
95.08628	58.4
109.10223	22.1
119.08685	23.6
125.46938	20.9
149.13309	20.6
158.01192	19.0
196.49382	21.7
261.22192	35.1
273.96130	22.0
314.85956	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85410	4.8
55.05496	15.5
57.03427	5.5
57.07068	8.8
62.19470	4.0
65.03944	5.7
67.05495	100.0
69.07056	9.4
70.61700	5.0
71.08614	7.6
79.05480	40.0
81.07042	96.6
83.08614	7.5
89.70422	4.9
91.05476	24.2
91.71069	7.7
93.07039	63.1
95.04958	9.0
95.08593	84.8
97.06500	7.8
99.08079	5.8
105.07025	24.4
107.08594	44.5
109.10147	32.6
117.07014	7.8
119.08579	13.7
121.10136	27.5
123.11659	11.5
131.08572	24.6
133.10097	11.8
135.11702	22.1
137.13245	7.5
145.10127	17.3
149.13248	20.8
159.11646	9.8
161.13295	14.7
163.14830	11.8
173.13255	14.7
177.16391	9.5
180.40968	5.8
183.95937	5.4
185.91516	6.0
243.21065	25.1
261.22110	63.7
321.71130	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	24.0
56.96545	23.9
61.95728	16.9
62.17992	13.4
64.28229	15.3
67.05488	98.7
71.08633	16.5
79.05492	38.2
81.07043	100.0
84.11382	15.0
85.69505	16.3
91.05464	30.2
91.71674	23.6
92.92092	17.6
93.07035	84.5
95.08596	83.5
99.23105	19.6
106.07729	18.6
107.08604	32.4
109.10149	33.1
121.10143	42.2
131.08551	42.3
135.11659	28.7
145.10211	29.7
238.74799	27.1
261.22217	60.3
288.12271	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81256	1.8
53.03928	1.8
56.05036	5.1
62.85247	2.6
67.05495	22.7
71.04989	8.8
75.44908	2.0
79.05489	8.8
83.17565	2.1
84.04496	74.1
84.05006	4.1
91.05471	22.9
91.71687	5.3
93.07071	3.2
95.04948	13.5
100.27995	2.5
102.05529	46.1
105.03381	12.0
105.07011	10.0
107.04950	100.0
109.02883	2.9
117.07026	13.0
119.08573	10.1
121.02865	4.3
128.06187	6.5
129.07001	3.5
130.04993	24.0
132.05865	2.7
133.06500	4.3
133.10141	11.8
143.08578	10.2
145.06490	15.2
147.08011	4.7
148.06053	4.3
161.09616	37.4
171.08005	18.7
189.09091	55.8
207.10153	6.7
290.13629	6.1
295.74738	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65524	5.6
54.70655	5.5
56.05021	14.5
66.26293	5.8
67.05490	15.4
68.28869	5.6
69.07042	6.1
79.05486	9.1
83.24179	5.9
84.04494	100.0
86.56779	6.3
91.05465	11.8
91.71082	10.0
95.04934	9.0
102.05544	41.7
104.44735	6.2
105.03377	12.6
105.07015	11.3
107.04952	68.8
117.06978	6.9
121.02847	9.7
130.05020	38.8
133.10118	9.4
143.08548	9.7
145.06508	19.4
148.06049	15.9
161.09633	25.7
164.13145	7.1
167.32060	6.7
171.08084	26.5
176.91379	7.5
189.09114	61.3
189.26428	7.3
334.67984	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87648	11.7
64.40784	12.2
68.71131	11.1
69.03408	67.9
72.08132	14.4
78.37174	12.6
79.66288	12.0
81.03406	20.5
85.02891	51.5
87.00792	19.7
90.82774	14.4
92.34949	15.7
94.06602	18.9
94.44862	14.5
97.02904	75.0
99.04440	27.5
104.05486	11.4
105.01836	16.4
122.05993	35.1
125.71967	14.9
126.15666	15.4
127.03922	100.0
131.05991	14.1
136.07573	21.6
137.07288	14.2
138.03224	15.3
145.04967	61.5
231.04996	53.1
258.48920	17.5
307.47214	15.2
351.54187	15.2
364.47076	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71798	2.9
53.03925	5.5
53.39867	2.8
55.01859	7.4
57.03423	7.9
61.02901	7.4
62.47052	2.9
69.03419	33.9
69.07047	14.1
71.04974	4.2
73.02909	5.1
77.23920	3.1
81.03416	20.4
85.02893	100.0
87.00813	24.2
91.04013	3.9
97.02883	34.9
99.04424	11.1
101.55749	3.4
105.01862	60.6
109.02868	30.0
109.48181	3.5
119.67278	3.8
127.03055	6.2
127.03913	56.5
133.73140	3.4
139.11180	5.6
145.04936	18.1
157.12225	11.7
159.02884	10.7
178.07310	4.4
224.12717	4.2
225.23169	3.5
231.04990	12.2
249.06177	3.8
275.97321	4.8
330.19998	3.7
361.38910	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91279	1.1
53.03939	4.1
55.01862	5.9
57.03415	5.2
61.02911	5.9
68.99775	2.1
69.03422	41.7
69.23502	1.7
71.04982	4.5
73.02912	6.1
81.03413	20.6
85.02899	100.0
87.00823	33.9
97.02892	32.1
99.04459	13.6
105.01859	63.4
109.02882	21.7
117.01894	2.1
127.03914	61.6
129.01813	3.5
145.04948	23.5
152.52037	1.7
159.02859	9.5
165.06238	2.0
168.06586	2.1
169.28429	1.4
189.03970	2.6
211.02888	1.9
216.18663	1.6
227.21864	2.4
231.04942	15.1
249.06067	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19860	4.8
54.77349	5.7
55.01867	10.7
55.05517	8.1
56.38615	6.2
60.08159	43.2
67.05493	9.8
67.07437	6.3
68.05009	7.3
69.05797	7.5
70.06603	8.1
70.99558	15.2
72.76972	7.4
81.07031	8.8
84.04488	18.8
91.05478	12.0
95.05005	6.9
95.06075	48.6
100.11244	14.7
107.04975	7.4
123.03643	8.1
125.01755	6.6
126.02495	8.6
127.03262	87.4
133.07626	13.0
147.09137	12.9
152.34338	6.9
153.04771	8.4
154.12311	12.5
156.13844	24.0
184.13333	28.1
189.13869	27.1
190.14726	17.4
240.11621	7.1
243.80611	7.9
251.12099	76.3
281.64188	7.3
310.19431	100.0
354.12625	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37121	3.3
70.06580	8.8
70.34081	3.1
72.08147	34.3
75.19610	3.8
83.06102	9.4
84.04494	41.5
85.02906	5.0
97.02849	5.8
97.06477	3.9
98.06065	3.9
101.07153	4.1
114.09148	11.4
121.06479	7.0
128.81630	3.5
136.07579	10.5
138.09161	4.6
154.09792	8.9
166.09787	18.0
176.07463	4.3
181.22974	3.8
208.10808	58.3
224.45535	3.4
225.13455	100.0
226.15514	5.6
267.21777	23.6
278.21921	5.2
295.21237	30.6
354.28607	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.8
56.96548	4.3
67.05494	54.3
68.05824	7.2
69.07063	12.6
70.06599	30.4
73.90190	3.9
75.14575	4.5
79.05486	8.0
81.07040	38.3
81.62125	4.4
82.07384	9.7
88.07621	26.2
89.87769	4.6
91.05463	7.5
93.07042	22.2
95.08585	32.2
96.08934	6.0
106.08672	15.6
109.10127	11.7
121.26328	4.4
130.29301	4.3
209.62175	6.1
244.77867	5.5
260.30042	5.2
262.22507	15.0
354.23816	13.2
354.33649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00779	3.2
57.07070	8.6
59.57588	2.4
71.08622	7.3
74.06084	5.0
74.87142	2.5
88.07634	15.7
88.11261	3.4
102.09181	7.7
111.71560	2.6
131.87306	3.5
186.20050	3.3
238.62799	3.4
284.29434	23.5
354.37268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75698	10.7
59.64355	9.3
65.33997	9.7
132.44513	15.2
310.04114	16.0
355.13718	100.0
368.34442	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	65.6
69.03418	88.2
69.07077	27.5
72.13905	23.5
79.05485	100.0
81.03414	55.1
81.07037	44.9
84.04493	29.6
85.02898	56.5
91.05464	74.1
95.04998	35.7
97.02884	24.9
101.21279	27.6
105.07013	54.3
107.08614	52.7
109.02917	25.1
117.06952	34.7
119.08606	46.6
127.62413	25.7
136.65382	24.4
137.64490	28.8
138.32152	23.6
149.09601	27.2
164.43832	25.8
362.71643	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2266
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.45490	4.9
57.07069	11.5
91.05473	9.5
96.52029	7.6
98.97601	8.2
105.07078	6.3
111.62325	7.1
119.08625	13.2
121.06561	15.4
137.09657	13.5
175.07628	15.3
177.12766	96.4
181.02936	7.1
191.10666	100.0
193.83623	7.6
270.85294	7.6
292.75864	7.9
294.84891	7.7
299.16492	25.5
355.22928	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	44.1
57.07078	91.8
59.54049	16.6
67.05502	57.0
69.07075	27.1
71.08633	69.2
74.62331	20.4
81.07059	100.0
83.08633	30.0
91.71645	38.1
95.08611	60.6
97.10178	41.3
98.97620	23.0
109.10146	35.0
111.11758	20.7
141.12775	22.9
141.57887	20.0
181.02896	25.9
292.60907	23.4
299.75452	23.1
336.74866	24.1
356.27869	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30073	7.0
55.05511	20.3
57.07080	19.5
67.05492	91.1
69.07072	33.4
71.08648	9.0
74.04626	6.6
79.05491	21.2
81.07050	100.0
83.08633	30.2
84.36736	9.3
91.05502	15.1
93.07074	33.1
94.42135	8.2
95.05008	9.6
95.08588	80.4
97.10183	24.7
99.87933	8.2
105.07053	15.7
106.44308	7.3
107.08611	16.3
109.10181	36.7
111.11738	11.4
121.10165	30.2
123.11724	16.0
133.10249	10.9
135.11682	16.5
143.20207	8.6
147.11726	11.0
149.13229	12.1
161.13210	10.8
175.14883	17.8
245.22794	23.7
263.23828	36.3
306.67276	11.4
337.27386	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
51.64720	4.7
55.05502	25.3
57.03432	6.8
57.07063	19.6
57.90211	4.6
58.19219	5.6
62.25206	4.8
65.41412	5.0
67.05496	91.5
67.40664	4.6
69.07057	26.7
71.08622	6.1
72.86522	5.0
75.74489	5.1
79.05479	13.9
81.07048	100.0
83.08614	21.0
91.05462	17.6
91.71056	7.6
93.07055	21.5
95.08595	79.2
97.06564	6.4
97.10171	16.6
105.07014	13.6
107.08585	22.5
109.10127	49.5
111.08093	6.2
119.08585	16.6
121.10145	20.0
123.11728	13.3
133.10144	14.5
137.13266	7.5
161.13289	10.8
163.14815	8.4
165.16341	9.8
237.34145	6.3
245.22598	32.9
246.62189	7.4
257.64252	7.9
263.23755	38.7
326.54837	6.8
337.27426	20.3
355.28397	7.6
356.35278	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
55.05494	21.5
57.03428	6.9
57.07067	15.5
67.05494	82.2
69.07059	47.0
70.25133	7.2
79.05471	24.3
81.07045	100.0
83.08615	22.6
85.64526	7.4
91.05473	16.7
91.71082	10.7
93.07034	16.7
93.15924	7.5
95.08590	95.9
97.06512	12.1
97.10167	19.5
97.54095	7.1
102.04451	7.3
105.06992	14.1
107.08587	18.1
109.10150	40.5
119.08580	15.7
121.10127	20.3
123.11682	11.3
133.10124	23.8
135.11646	10.0
161.13278	12.5
163.14833	11.9
175.14920	8.9
217.71896	9.0
245.22659	35.7
262.18781	9.0
263.23679	44.3
325.41501	9.3
337.27356	18.3
355.28238	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	22.1
57.03415	7.5
57.07053	8.2
59.03165	6.4
60.59061	6.0
67.05501	76.1
69.07056	15.7
76.77785	10.2
79.05472	12.8
79.42085	7.1
81.07053	100.0
83.08626	13.3
83.85004	8.0
88.77063	8.2
91.05427	8.7
93.07045	20.4
95.08608	58.3
97.10160	11.7
105.07018	15.7
107.08634	11.3
109.10146	38.7
119.08601	13.5
121.10166	10.8
121.69250	7.4
123.11682	13.5
130.13857	8.7
133.10097	9.3
135.11676	13.7
147.11668	15.1
175.14761	11.2
224.47072	7.9
245.22722	28.1
263.23779	25.1
273.25778	9.3
277.70819	9.6
337.27377	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07045	2.8
58.06590	12.8
60.04499	3.4
60.08155	100.0
63.69921	3.1
67.68589	3.0
69.07052	17.0
70.02934	9.8
70.06578	9.8
80.61575	3.6
84.04481	4.9
85.02877	3.1
86.06044	4.3
86.09684	7.9
97.06474	5.0
99.08548	3.2
110.02405	3.4
138.05507	4.7
166.04990	8.6
166.08582	5.0
173.12793	4.2
184.49112	3.2
199.14922	3.8
231.00328	3.8
326.05093	3.9
356.21738	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3522
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05504	14.3
57.07069	1.4
58.58513	1.3
58.72288	1.2
58.73434	1.4
64.08286	1.3
69.07059	8.9
70.06588	19.7
73.68318	1.5
83.08618	5.6
88.07619	23.8
97.10146	1.9
102.09188	5.3
106.08663	11.3
111.67421	1.4
276.56931	2.0
338.34116	6.6
356.35187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1106
Annotation	Arctodecurrolide
Peak:m/z	Relative Intensity
52.83247	3.9
63.20005	3.9
70.06586	6.2
72.27924	4.3
74.08536	4.1
83.13079	4.3
131.01680	4.4
131.44057	4.7
135.33986	5.0
177.00986	13.0
200.02586	10.1
201.02361	6.3
219.02075	18.4
226.04193	15.7
228.05750	8.9
242.03882	10.9
249.05798	20.0
250.05515	5.6
251.07579	4.8
253.05193	6.7
262.05435	17.9
265.05350	8.6
271.45502	6.3
279.07840	17.3
280.06387	11.1
291.06937	6.3
297.08807	17.8
298.07504	19.0
301.16367	6.0
303.07718	9.0
314.10663	8.5
315.08829	55.4
320.10687	24.1
321.08908	42.1
334.70334	5.5
338.10440	100.0
339.10010	25.3
357.11014	94.1
362.11874	6.4
380.12695	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.5
55.01873	7.5
55.05518	14.4
57.68703	7.2
58.80797	7.2
64.14366	7.4
67.05499	67.8
67.31393	6.7
69.03426	100.0
69.07066	11.8
71.05000	37.0
79.05514	32.5
81.03403	50.2
81.07066	29.9
83.04991	14.8
85.02496	6.8
85.02903	47.3
87.00849	26.2
87.07664	7.8
91.05492	28.1
93.07043	38.5
95.04988	14.5
95.08627	14.1
97.02910	12.9
97.06547	20.0
99.04471	17.9
105.07059	24.1
107.04970	9.0
107.08652	11.7
109.02927	26.9
109.10183	23.6
111.04360	9.1
119.08607	14.7
121.10134	20.5
125.09646	13.2
127.03880	38.5
133.10144	8.7
137.09665	21.9
145.10141	10.6
149.09676	12.7
171.40836	8.8
191.61436	8.8
202.71759	8.5
217.12245	20.2
222.14723	9.8
235.13329	13.8
321.13324	16.4
357.11478	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	68.9
57.03403	9.1
57.07056	43.7
64.66183	10.0
66.41544	9.5
67.05500	72.9
69.07063	82.9
71.08614	30.8
79.05464	39.4
81.07048	100.0
83.08598	72.2
88.64537	9.7
93.07021	56.7
95.08601	80.2
97.06527	21.9
97.10165	40.8
99.08059	10.0
107.08575	36.4
109.10146	52.9
111.08084	12.9
111.11734	14.3
114.00246	10.4
121.07495	10.8
121.10123	74.6
123.11681	22.0
127.29061	9.5
128.32611	11.2
135.11671	60.0
135.59010	9.6
137.13187	11.2
149.13240	18.0
150.17271	9.8
169.68425	9.9
183.32549	16.5
191.08748	10.4
236.15263	10.3
247.24251	47.1
265.25198	54.3
272.38535	13.0
339.28864	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.96198	4.8
53.00309	5.7
55.05507	63.7
57.03425	12.6
57.07063	38.1
67.05170	9.4
67.05492	100.0
69.07063	97.8
71.08618	24.4
72.26344	5.0
73.81940	6.1
79.05452	28.8
81.07053	87.8
83.08617	66.2
84.51366	6.2
85.10178	13.8
91.71646	12.0
93.07034	63.4
95.08602	92.9
97.06522	19.1
97.10162	49.2
102.13549	5.8
107.08595	39.3
109.10149	43.8
111.11724	11.0
112.77817	5.5
112.89419	5.3
121.10126	76.5
123.11705	11.5
132.08075	7.3
135.11684	63.8
137.13281	7.7
139.11266	7.8
149.13266	25.8
151.14755	9.7
163.14832	7.9
165.16385	8.4
177.16435	6.2
247.24185	45.7
265.25198	54.5
289.70261	5.8
339.28745	41.2
358.36829	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90351	12.4
55.02079	13.4
55.05495	70.5
57.07055	38.7
57.69041	12.4
58.59838	14.8
59.29068	15.6
63.36048	16.0
67.05489	75.7
67.67942	14.2
69.07043	72.0
71.08612	27.4
77.69435	16.5
79.05497	30.7
81.07063	100.0
83.08611	53.4
86.09628	16.0
88.20768	15.0
93.07027	45.8
95.08570	90.4
97.06551	27.1
97.10139	42.6
98.98039	17.8
107.08596	31.2
108.21255	17.7
109.10138	35.8
121.10101	88.8
135.06427	16.1
135.11711	45.2
149.13243	29.2
165.80984	17.1
189.94214	16.2
247.24277	50.2
254.85316	18.5
255.16739	18.1
265.25266	44.9
339.28848	32.3
364.02664	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	6.2
59.09084	3.1
60.08159	87.3
69.07059	13.4
72.08149	81.4
85.04041	4.3
86.09698	75.0
89.10801	12.1
97.06535	26.4
97.74701	3.4
114.12822	9.1
126.09100	4.5
141.10263	8.2
168.13860	5.7
182.15395	13.7
222.63771	4.4
241.22754	27.6
269.22287	5.3
298.24817	8.2
357.32184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05758	2.6
55.05518	4.5
56.05045	3.4
56.21580	2.6
60.08168	5.5
61.65106	2.5
64.41292	2.7
66.57874	2.3
69.07081	3.9
69.63036	2.3
70.06593	6.7
72.08165	11.0
79.76975	2.5
83.06075	2.9
83.08611	21.1
84.04495	89.9
84.08153	5.2
85.02919	5.6
86.06047	2.4
86.09721	8.1
94.57289	3.1
100.11251	100.0
102.05581	9.2
103.28683	2.5
110.06136	3.0
121.97157	3.2
130.05003	48.8
130.05901	5.0
140.22856	2.6
150.05435	2.9
166.12323	4.8
183.14920	18.3
183.78691	2.8
195.07655	6.9
203.86566	3.1
209.37814	3.2
212.12773	38.2
224.14465	3.5
226.50598	3.3
229.15457	85.6
239.99916	2.8
241.08244	4.1
358.19931	8.4
358.26883	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51381	0.7
59.60433	0.9
61.91840	0.9
68.83759	0.8
70.46775	0.8
86.09695	100.0
89.63507	0.9
96.38908	0.9
110.48536	1.0
114.12854	0.9
128.10712	6.4
136.07616	1.1
138.09158	1.3
158.01349	1.0
164.07072	1.4
174.09178	1.1
175.96913	0.9
203.13922	10.1
216.50536	1.2
269.18539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.27
Annotation	Ile Leu Leu
Peak:m/z	Relative Intensity
52.04871	1.1
54.20791	1.0
56.96556	2.3
60.08125	1.2
60.46653	1.1
69.07072	4.1
72.08145	1.1
84.04520	1.4
86.09698	100.0
91.71043	2.9
94.06557	1.5
110.09700	1.3
120.08149	3.8
122.06077	4.4
136.07597	2.9
138.09122	7.2
164.07135	3.9
164.48953	1.3
166.08704	2.1
199.18036	24.5
227.17522	12.6
245.18788	3.0
299.92609	1.8
355.41241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49164	1.1
57.07061	11.0
61.36022	1.2
67.59474	1.6
70.06580	24.4
71.08610	3.2
85.10153	2.2
88.07609	24.7
89.99205	1.4
102.09161	4.6
106.08663	9.7
114.12785	8.2
172.69014	1.6
177.67160	1.9
182.35825	1.6
232.05771	1.7
340.35773	6.0
358.36761	100.0
359.37283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07224	1.3
55.17904	1.4
60.08162	1.5
65.57159	1.5
70.06570	1.9
72.08150	3.4
74.70560	1.4
86.09682	7.3
89.55658	1.5
114.12794	11.7
125.56798	1.9
153.08862	2.0
163.34846	1.9
244.14290	2.1
262.82413	2.0
271.04236	2.3
273.12915	1.8
300.20596	2.7
315.14136	17.6
359.13083	100.0
359.28152	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26810	1.7
50.44095	1.5
52.75428	1.8
64.55650	2.1
72.08144	54.7
83.04969	2.2
91.05480	3.7
98.08427	9.5
120.08097	15.0
125.09502	8.6
130.07430	6.6
138.10248	2.5
153.08958	38.3
158.28676	2.3
174.12772	24.0
216.14966	4.6
228.14877	3.2
239.85681	2.8
243.33226	3.0
244.14433	100.0
272.21164	21.7
300.20660	46.2
313.53363	2.5
359.28088	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86401	1.8
53.87628	1.7
53.95554	1.5
55.05529	2.1
67.59390	1.7
70.06602	3.1
71.04308	1.8
72.08147	49.4
72.08515	3.5
78.35278	2.0
83.04995	6.0
91.05512	3.3
94.25574	1.9
98.08456	7.6
103.60988	1.8
117.07043	3.6
118.06669	2.9
120.08112	17.9
125.09552	6.6
130.07407	5.5
143.08588	3.0
146.20674	1.9
153.08958	33.6
174.12778	18.0
216.15121	6.0
228.15105	3.4
244.14432	100.0
249.82751	2.6
269.29907	2.1
272.21152	25.6
300.20673	47.6
332.84604	2.3
359.27945	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
54.97893	1.3
55.01874	8.8
55.05136	1.4
57.03416	5.1
59.78679	1.3
61.02916	6.4
61.89868	1.6
69.03420	34.8
70.06599	1.7
71.04977	6.4
73.02904	7.8
79.49244	1.6
81.03409	34.8
83.01327	1.6
85.02898	100.0
86.09686	3.2
87.00825	19.7
91.03947	3.4
91.71002	1.8
97.02888	52.2
99.04450	18.4
105.01863	29.9
108.04482	5.7
109.02872	35.3
115.03920	2.1
117.01858	4.6
118.59515	1.8
123.24672	1.5
126.05508	5.3
126.29791	1.7
127.02957	3.6
127.03913	75.9
129.01825	5.3
145.04948	44.3
147.02844	2.8
152.46999	1.7
159.02890	24.5
216.69884	2.0
220.50362	1.9
230.06691	2.1
231.04974	12.5
249.05794	2.0
306.20914	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54815	1.6
55.01875	2.0
61.56270	1.4
67.96090	1.7
69.03425	5.5
69.69561	1.7
72.08125	4.1
74.06059	2.8
84.04480	2.8
85.02898	25.2
86.09682	3.6
88.82791	1.8
89.03902	4.6
97.02895	5.9
107.04961	3.1
113.96546	1.9
114.12798	8.9
115.13122	3.0
117.03362	4.5
120.08086	2.4
127.03878	6.6
130.09433	1.8
135.04437	15.1
145.02856	6.2
145.04988	4.7
163.03896	100.0
180.08841	2.1
181.04932	32.6
183.12895	1.9
232.50249	2.3
244.14595	4.0
260.35455	2.6
300.20804	2.4
360.28345	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.9
55.05501	5.9
57.03418	9.8
61.02921	4.3
62.61760	2.9
67.05486	4.4
69.03418	45.7
70.06586	15.5
71.04970	4.3
72.08147	100.0
80.25085	3.0
81.03406	18.4
84.04508	23.6
84.08144	3.6
85.02896	88.2
86.09698	37.7
87.00809	3.4
91.71638	4.5
97.02888	53.4
99.04450	16.6
100.03972	5.3
101.02365	3.9
102.05548	14.3
105.01870	5.9
107.04948	4.4
109.02878	15.1
114.12786	26.2
120.08128	7.2
124.52589	3.5
127.03906	69.8
132.10214	12.3
145.04974	38.4
148.05002	3.6
153.09000	4.7
161.36853	4.0
163.03943	6.5
175.17032	3.7
181.05089	3.9
201.12395	16.5
205.06934	5.6
214.97957	3.7
229.11844	21.3
231.05048	13.5
241.02058	5.1
243.13347	5.4
244.14458	12.4
261.14325	6.5
270.69238	3.6
272.21271	5.0
320.03528	4.2
323.29285	3.8
359.28241	5.1
360.28354	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2277
Annotation	Aspergillimide
Peak:m/z	Relative Intensity
51.35041	2.2
58.06579	5.0
60.08155	100.0
69.07052	12.0
71.08661	2.5
77.07448	2.2
114.09137	2.5
118.06557	6.0
118.35674	2.9
127.00768	2.4
130.06531	15.2
132.08087	10.9
144.08066	5.5
146.05984	15.2
159.09120	21.3
170.06050	4.4
185.07074	18.5
187.08742	2.6
188.07053	27.0
231.07657	3.6
296.61105	3.1
360.22748	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27251	2.0
56.46616	2.2
58.06590	14.2
60.07867	5.1
60.08156	84.2
68.36544	1.9
69.07041	8.7
76.16115	2.0
97.06493	2.8
103.70345	2.0
114.09166	4.1
118.06554	5.7
129.20924	2.3
130.06523	20.8
132.08101	7.9
144.08046	6.4
146.06003	10.9
156.07951	2.8
159.09195	22.5
168.08005	3.6
170.05960	3.2
177.12227	2.5
185.07130	5.1
188.07088	19.3
226.12199	2.7
255.15146	2.7
256.13293	2.5
315.56644	2.4
360.22787	100.0
361.23172	6.6
381.57364	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2283
Annotation	Aspergillimide
Peak:m/z	Relative Intensity
51.00325	4.6
55.01852	8.6
58.06584	6.4
60.08155	100.0
69.03419	20.5
70.62333	5.5
72.08143	5.7
79.18356	5.1
84.04497	6.3
85.02885	51.4
97.02881	18.9
98.06036	5.2
108.84362	5.9
109.02818	6.6
114.12786	17.6
115.13129	7.9
127.03920	28.8
130.06532	19.0
145.04991	25.4
159.09134	13.1
160.07591	13.3
185.07054	51.3
202.08658	12.0
331.73801	8.5
360.22760	90.1
360.27405	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33076	12.7
58.06584	58.2
59.09718	11.9
60.08146	64.2
60.60142	11.9
67.44588	14.1
69.03413	18.0
70.06576	37.9
72.08150	41.8
81.32887	13.5
84.04501	60.9
84.08136	22.8
85.02889	37.4
86.09709	52.5
91.07460	13.5
97.02891	26.7
100.11251	40.8
106.88613	13.2
120.08106	42.8
121.08474	14.6
130.06572	22.4
157.04790	13.4
159.09148	18.0
169.64665	15.6
239.62482	17.4
239.77422	16.0
240.04816	14.6
241.12431	14.8
256.29953	15.6
285.08737	19.7
361.18561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01334	1.8
57.81464	1.8
68.77692	1.8
69.07063	2.6
78.40746	1.9
91.05506	3.6
93.07045	3.6
105.07013	4.4
109.73109	2.2
141.63805	2.1
174.99707	2.4
185.13184	2.1
207.68312	2.4
223.78482	2.6
250.21693	2.4
361.23450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65572	16.7
54.81268	15.3
57.03415	18.0
60.53196	17.9
61.46363	17.9
63.14019	16.0
66.24084	15.5
67.05500	96.0
69.07028	19.6
79.05496	42.5
80.50169	17.3
81.07046	52.9
91.05473	52.1
93.07039	54.5
95.08585	44.2
100.10085	17.2
100.11253	100.0
103.77554	16.2
104.99269	43.8
105.07034	39.5
107.08597	31.4
117.07012	31.9
117.10102	19.0
119.08614	47.4
124.60341	17.2
359.59357	20.3
361.27371	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85756	11.3
53.00288	11.4
55.01865	17.1
55.05502	27.9
57.03429	33.0
57.07065	12.4
62.00780	12.1
63.80154	9.8
64.63483	11.2
67.05496	77.7
67.05781	11.3
68.72874	10.3
69.07066	23.3
79.05486	49.7
81.07053	82.7
83.08657	13.1
91.05484	100.0
91.70956	14.7
93.07056	60.1
95.08604	57.3
100.11260	98.1
105.07045	80.0
107.08600	28.3
109.10255	12.6
117.07011	27.4
119.08596	38.4
121.10158	23.6
129.05495	45.5
131.08580	42.1
133.10162	36.8
135.11687	17.1
139.04413	14.8
145.10152	21.3
203.17969	28.3
269.22531	23.3
361.23215	28.7
361.27350	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88021	21.0
55.67339	21.7
60.02800	23.0
67.05475	89.9
69.07046	34.3
70.09113	21.6
79.05464	66.7
81.07045	67.5
91.05474	77.7
91.70959	25.9
93.07039	49.5
95.08600	59.9
100.11253	100.0
105.07011	49.6
117.06946	28.2
119.08607	67.4
119.61979	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65572	16.7
54.81268	15.3
57.03415	18.0
60.53196	17.9
61.46363	17.9
63.14019	16.0
66.24084	15.5
67.05500	96.0
69.07028	19.6
79.05496	42.5
80.50169	17.3
81.07046	52.9
91.05473	52.1
93.07039	54.5
95.08585	44.2
100.10085	17.2
100.11253	100.0
103.77554	16.2
104.99269	43.8
105.07034	39.5
107.08597	31.4
117.07012	31.9
117.10102	19.0
119.08614	47.4
124.60341	17.2
359.59357	20.3
361.27371	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23103	2.3
52.20781	2.4
52.98766	2.5
55.05487	6.1
56.46303	2.5
57.03426	3.1
60.08148	7.4
65.03894	2.8
66.21751	2.7
67.05489	16.8
68.17383	2.5
69.07038	6.0
72.08150	5.9
78.13431	3.1
79.05483	10.2
81.07050	10.4
81.56374	3.3
85.29796	3.2
85.58606	2.7
86.88667	3.2
89.12394	2.8
91.05473	12.0
93.07029	11.4
95.08610	9.5
98.83223	3.0
100.11244	100.0
102.09750	3.2
103.25919	3.4
105.07010	9.0
105.77743	2.9
107.08605	5.9
109.10163	4.6
114.12811	6.5
117.06956	5.6
119.08588	6.1
119.35815	3.2
120.68454	3.1
121.10090	3.3
131.08611	3.9
133.10123	4.1
139.44751	3.6
160.53757	3.4
215.24341	3.7
222.52121	3.2
229.80406	4.2
251.82910	4.0
314.91159	3.8
361.26190	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42175	1.9
55.05488	7.8
58.06594	12.6
59.07371	2.6
60.07866	5.8
60.08155	100.0
72.03922	2.6
72.35043	2.6
83.04968	11.1
83.70482	2.2
84.04435	2.3
94.06554	4.5
100.16043	2.3
130.06519	36.4
132.04449	21.0
157.07590	24.8
158.06007	45.0
173.07021	3.3
175.08653	54.1
221.09178	8.2
222.11566	2.9
271.45047	3.0
272.62524	2.7
362.20697	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82740	10.8
58.06593	10.8
59.82667	11.0
60.08155	100.0
63.12948	9.5
70.06574	14.6
71.05019	11.1
72.08135	15.6
83.04962	60.9
86.09689	18.2
100.11230	12.4
108.39448	10.6
130.06517	36.2
132.04439	28.5
157.07645	27.2
158.06039	35.0
159.11913	12.5
175.08646	45.2
246.15150	21.0
273.96884	13.4
280.93991	12.4
303.13416	24.0
312.16751	15.4
336.14478	15.4
352.09747	12.8
362.20663	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	12.2
57.49400	2.7
58.06586	6.6
60.07862	4.8
60.08157	84.0
70.06593	5.1
83.04973	51.3
84.04478	6.9
86.09679	4.6
94.06550	4.8
114.93096	3.6
130.06534	39.4
132.04440	24.6
134.16977	3.4
146.06012	6.9
157.07613	28.7
158.06003	34.1
175.08649	39.8
203.08194	4.2
221.09126	6.2
265.84042	4.0
303.13309	25.2
325.41306	4.1
362.20706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02020	3.0
55.05498	6.4
56.18084	3.4
58.06578	5.4
59.07370	4.3
59.82263	3.7
60.08158	80.5
70.06589	7.6
72.08148	11.8
83.04964	11.5
84.04488	8.5
84.08121	6.2
85.02879	4.3
86.09703	8.8
88.03909	4.1
97.04417	4.5
99.90499	4.4
106.15062	5.2
117.96114	4.7
121.23305	4.4
122.94466	4.3
126.10291	8.4
130.06505	30.8
132.04466	16.0
132.85971	5.0
157.07626	22.0
158.05989	46.7
175.08662	56.0
203.08290	4.9
221.09207	9.1
228.68539	4.5
306.95715	6.2
362.20724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23233	7.2
72.08145	100.0
73.39778	7.9
78.21415	7.5
80.97250	7.8
81.02570	8.5
82.31668	7.2
91.71025	13.2
98.06031	9.0
100.11243	15.1
100.85793	9.6
136.59802	9.0
163.53645	9.6
257.73761	9.5
270.32635	11.4
338.46811	10.4
362.26419	10.4
362.30591	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28965	2.4
53.39161	2.0
57.07069	12.9
57.78524	2.1
61.62599	2.2
70.06233	3.5
70.06581	31.4
71.08608	3.4
78.14577	2.8
80.86216	2.6
84.08105	3.6
86.09708	5.6
87.44065	2.5
88.07603	10.6
102.09184	3.1
132.10226	14.2
139.27602	2.6
142.11031	2.9
146.11734	11.8
168.90271	2.8
229.56790	2.6
256.26352	11.7
300.28967	50.0
351.59824	3.6
362.32590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56901	1.6
57.07067	9.2
65.76691	1.6
70.06585	22.3
71.08627	5.6
72.08142	1.8
84.08125	3.3
88.07633	19.5
93.96088	1.9
100.11215	2.2
101.91921	2.1
114.09145	11.9
117.39585	1.9
132.10202	36.6
161.79483	2.2
176.12747	6.4
194.13882	5.9
256.26483	4.4
274.27344	3.1
318.29880	3.1
324.64282	2.2
362.32635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73573	5.7
56.05019	7.4
57.07030	7.6
58.06588	19.0
60.63664	6.5
66.78913	7.2
67.65838	6.1
71.61755	6.0
72.08146	10.6
74.06057	7.3
83.00394	5.9
88.07626	67.1
100.99191	6.8
108.31631	6.9
132.10228	14.2
166.10733	10.4
238.85390	8.3
270.27921	31.1
314.30292	10.8
362.32681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51140	0.8
52.66491	0.6
53.00305	1.0
53.23286	0.7
55.38635	0.7
69.03419	100.0
85.54818	0.9
87.04461	24.0
91.05502	0.8
105.05505	5.5
128.07083	2.7
152.30246	0.9
155.07036	11.0
162.80389	1.0
173.08054	5.8
189.82312	0.8
191.09129	3.9
345.65329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	22.4
56.64737	15.1
57.03424	33.8
57.07061	38.2
67.05511	100.0
76.65979	17.6
79.05481	42.8
81.06219	19.9
81.07048	99.2
84.23048	18.6
89.05962	21.5
91.05471	46.2
93.07047	75.7
95.08590	95.1
107.08579	30.6
109.10179	29.1
112.03343	19.9
121.10165	50.7
129.05466	46.4
133.10043	23.2
135.11691	44.9
181.02731	21.2
271.24200	34.7
277.54495	20.0
307.40063	24.3
307.90695	21.2
363.28870	57.8
381.73798	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	13.4
55.05495	33.0
57.03415	22.8
67.05495	79.5
69.07059	30.5
70.87408	9.2
71.44179	9.0
79.05487	27.6
81.07048	100.0
90.88142	11.7
91.05476	30.5
93.07040	28.0
95.08588	51.7
97.06499	10.9
97.95260	10.8
103.30174	10.4
105.07060	11.7
107.08575	22.4
109.10162	25.0
119.08536	13.5
121.10175	25.2
130.76820	10.3
135.11685	15.8
363.28928	42.9
366.99442	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.8
56.52588	7.6
59.59025	8.1
60.03173	8.2
60.08155	65.2
60.58963	9.3
66.90290	8.6
67.05491	15.6
68.79701	9.9
69.07045	18.5
70.06591	20.9
72.08154	100.0
75.91400	9.2
76.02215	32.7
79.05486	13.5
81.07076	18.6
84.04494	23.7
86.09723	15.1
89.94911	9.2
91.05489	15.0
94.06572	10.4
95.08592	13.1
97.10172	11.3
109.02896	15.9
120.04476	16.2
122.02733	89.8
124.71183	10.2
135.71811	11.5
146.05984	13.8
171.14912	18.4
202.01790	13.4
225.11156	18.3
226.10707	15.4
229.08961	32.6
282.11575	15.5
294.96347	12.8
364.14233	28.8
364.22299	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82839	1.3
55.05509	2.4
57.35727	1.3
58.06580	5.9
60.08157	100.0
63.87782	1.4
66.91843	1.3
69.07063	19.5
71.08631	1.8
72.08148	37.5
79.63871	1.3
86.09698	1.6
86.10550	1.5
88.03972	3.3
91.71630	3.7
94.06565	21.0
95.53333	1.6
97.06525	5.7
112.42118	1.5
114.09169	4.6
114.12811	6.4
118.06529	2.1
120.04459	26.9
120.08063	3.0
132.04469	2.6
136.07573	5.8
146.05991	49.1
150.05516	2.4
156.35529	1.6
171.14905	7.5
173.16441	3.5
174.05472	9.2
192.06546	5.8
199.14424	3.7
229.43790	1.9
285.55606	1.7
364.22275	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3207
Annotation	Terminaline
Peak:m/z	Relative Intensity
55.05488	5.0
57.07064	32.4
60.52142	1.4
65.94682	1.3
66.37860	1.2
67.05489	6.4
67.73306	1.5
69.07049	6.8
71.08618	12.4
73.73039	1.2
74.09705	100.0
79.05476	3.7
81.07041	11.2
82.23379	1.4
83.08614	3.2
89.06013	4.3
91.05439	2.4
93.07042	5.9
95.04967	1.5
95.08588	6.6
97.06547	2.2
97.10109	1.8
99.08085	4.3
101.14727	1.5
105.07001	2.6
107.08609	4.3
109.06519	4.0
109.10120	3.9
119.08565	3.4
133.10081	2.0
151.09708	2.4
165.12723	6.0
266.24844	9.9
291.23111	9.3
346.30823	1.8
364.32083	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	65.0
63.84701	17.6
64.05565	14.8
70.06572	20.9
72.08133	15.9
76.35811	13.5
84.96014	19.2
86.09702	18.8
91.71100	18.9
97.53787	17.5
98.97549	19.8
116.98652	28.0
140.00165	37.6
193.02750	19.0
213.25516	17.1
365.05792	100.0
365.10373	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60359	4.9
85.37389	4.6
103.82915	4.9
123.33784	3.9
126.04501	4.6
137.78632	5.8
190.55493	5.2
199.00847	4.8
223.64233	5.2
271.04211	7.5
321.09448	14.6
365.08344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89707	5.1
58.03781	4.8
70.06558	7.4
72.08141	7.3
81.03397	23.2
84.04483	12.0
84.84753	5.7
86.09701	11.1
98.02509	6.5
98.97568	6.9
111.21588	6.5
140.00238	6.7
203.05270	11.8
226.21346	7.8
248.81905	6.7
298.30231	7.1
323.30994	7.6
362.12180	7.6
365.08243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96312	7.3
54.28729	7.8
57.03428	12.2
57.55978	6.7
60.90564	10.1
67.99440	7.7
70.06577	17.2
71.09881	7.9
84.04469	13.9
85.02898	32.6
86.09668	13.5
99.08090	20.4
107.04998	9.8
119.05027	10.1
131.04927	17.3
141.07051	10.2
144.05692	17.9
145.06517	16.9
171.73595	10.7
173.05994	12.6
177.35739	9.2
179.03397	18.1
187.07561	10.6
197.05901	15.3
203.05260	11.2
215.07045	100.0
219.72665	10.7
219.89578	10.0
243.06544	12.0
261.07559	54.8
271.31052	8.9
280.90289	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88626	1.9
52.74918	2.0
57.67226	1.8
57.79278	2.1
60.08742	2.2
69.03403	3.0
104.28259	2.2
185.04195	24.5
192.69469	2.4
203.05244	42.1
217.73727	2.7
221.38553	2.3
242.69354	3.2
244.07796	3.8
365.10498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
77.49570	6.1
79.86134	5.6
97.71105	5.5
102.82497	7.0
106.33659	6.3
123.16207	6.5
130.38066	5.4
131.92358	5.6
164.30374	6.1
185.04207	30.6
203.05219	44.7
204.71806	6.1
206.46222	6.8
216.46764	6.7
261.94568	6.4
261.97589	7.1
365.10535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25723	12.4
55.43702	14.7
62.47737	13.8
67.05518	56.9
69.07061	21.1
79.05530	29.4
81.07064	72.0
85.43715	15.1
86.09720	21.4
90.00480	15.1
91.05505	56.7
93.07056	69.6
95.04980	57.6
95.08614	38.8
97.06538	23.2
105.07055	100.0
107.08573	84.9
109.10211	17.0
119.08638	69.0
121.10169	45.1
129.07002	26.1
129.47511	20.1
131.08585	70.6
133.10146	26.3
135.08176	21.2
142.07799	23.4
143.08630	47.7
144.09317	20.5
145.10191	75.2
147.11818	23.0
155.08618	28.5
157.10219	44.1
159.11742	32.5
169.10155	35.6
169.66112	15.7
171.11774	33.5
173.13332	51.7
175.11232	28.7
183.11772	54.1
191.14429	41.2
193.10150	34.8
203.05176	24.2
209.13506	20.4
211.14854	25.5
221.13263	25.9
231.11563	16.7
299.15262	21.9
347.23669	22.8
365.10614	38.6
365.24704	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	34.3
67.05511	52.5
69.07045	26.1
79.05510	32.7
81.07063	75.3
86.09702	32.8
91.05499	72.6
93.07082	73.4
95.05006	67.0
95.08634	30.7
97.37476	19.1
105.07011	100.0
107.08632	62.6
109.10184	39.1
119.08620	91.0
120.86277	19.0
121.10173	52.1
125.02682	19.6
131.08615	61.9
133.10150	36.6
135.08099	25.8
142.07907	28.8
143.08615	47.3
145.10130	47.6
147.11694	37.0
157.10136	51.7
159.11792	22.0
161.37910	20.9
169.10165	33.5
171.11751	26.8
173.13179	94.9
181.10117	20.2
183.11732	49.4
185.04366	22.7
185.13338	24.9
191.14371	52.6
193.10107	28.2
194.11012	26.1
197.13374	28.6
203.05441	26.7
207.11771	37.5
209.13339	21.6
211.14850	24.8
221.13358	23.3
225.16414	23.8
233.34218	21.5
239.14398	23.6
240.63336	27.2
249.16182	21.8
273.62311	21.9
347.23843	28.6
365.24902	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24637	22.7
66.47002	22.5
67.05482	67.3
69.03401	24.4
77.17219	22.6
79.05474	35.4
81.07050	80.8
91.05488	46.8
93.07035	62.0
95.04971	85.8
95.08604	100.0
95.17369	24.1
105.07034	44.6
107.08575	30.7
111.04443	42.6
119.08588	42.3
131.08559	51.6
145.10101	39.8
159.11711	32.2
161.35104	27.3
171.11552	44.0
181.12254	44.3
181.59962	29.0
195.11754	37.5
199.04274	25.4
209.13234	37.0
214.30586	30.0
365.10641	66.6
365.24640	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05541	37.8
56.09702	22.8
67.05511	68.9
86.09721	36.7
86.24961	29.1
91.05518	78.6
93.07051	79.7
95.04992	43.1
95.08622	42.5
105.07067	62.5
114.13060	37.4
114.13900	32.4
119.08634	59.1
121.10204	55.3
131.08586	38.6
145.10138	40.5
147.11758	41.6
157.10136	40.3
169.10115	52.4
173.13335	64.4
175.82373	30.7
176.30466	29.8
191.14435	41.1
203.05415	50.3
208.12711	39.3
365.10690	86.9
365.24863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05494	2.6
57.07049	7.6
57.25034	1.6
59.01286	1.5
67.27932	1.5
69.07036	1.9
69.44212	1.8
81.07030	3.4
85.06526	2.8
91.05481	2.1
95.04988	2.1
105.07032	2.3
107.89342	1.9
109.06510	3.1
123.08044	3.7
130.21837	2.0
135.08029	3.3
137.05952	2.1
151.07571	3.5
152.08324	9.0
165.09135	9.9
179.10712	3.8
189.57613	2.0
203.05209	2.8
235.85179	2.8
263.20135	4.2
305.24765	2.9
347.25720	24.9
365.10483	6.6
365.26837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49422	3.3
52.73034	3.5
52.77129	3.4
56.05029	3.6
60.04509	16.6
70.06567	12.9
72.08151	5.8
84.04495	55.7
86.09686	7.4
94.06553	32.3
113.89402	4.2
118.06528	22.6
120.04470	14.4
120.08115	10.6
127.82900	4.4
130.04990	12.0
130.06538	7.9
132.04475	6.6
136.07567	41.5
146.06003	100.0
146.07059	8.7
148.03952	11.3
150.05486	9.4
158.06091	6.8
164.07024	9.3
172.76201	4.8
174.05476	31.8
174.64859	4.9
191.08144	10.6
192.06494	23.1
202.05031	15.9
220.06131	12.7
237.08745	34.8
259.56824	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.191
Annotation	Senkirkine
Peak:m/z	Relative Intensity
56.05030	6.5
67.05499	7.0
69.03409	4.5
69.57237	4.8
69.84156	5.2
79.05482	18.4
81.07032	6.3
84.04491	100.0
84.82574	5.5
85.49541	4.7
91.05453	33.4
91.16962	4.9
93.07022	47.0
93.20625	4.8
94.00234	4.9
95.04967	5.6
95.08578	6.7
102.05518	46.6
104.55222	5.1
105.07014	19.0
107.08590	18.5
109.06486	8.0
117.07011	15.3
121.06429	9.6
121.10046	7.5
123.08059	10.1
130.04994	33.3
131.08536	12.1
133.10147	6.9
135.08038	38.8
145.10127	9.6
147.08046	8.1
148.06033	50.8
149.09587	9.6
151.07526	20.0
153.09105	13.4
156.12943	5.2
159.11703	14.2
173.13239	7.1
177.12733	44.2
191.14287	8.6
201.12726	19.0
216.27342	5.4
219.13831	41.0
237.14743	6.1
320.18597	18.8
348.17899	18.5
366.19098	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62373	5.6
52.45263	6.8
55.92016	6.2
56.86293	6.9
57.58913	6.6
65.03925	13.1
70.06572	22.7
71.00240	7.5
71.08611	7.5
73.16570	6.7
88.07627	28.8
88.61455	9.3
101.96528	7.0
102.09196	13.2
122.05999	7.6
125.60303	7.4
149.02335	88.3
149.03421	15.1
174.74353	8.5
193.04956	100.0
200.20041	44.8
256.49326	8.2
262.55652	9.0
273.35922	8.1
276.15225	7.6
366.22842	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53135	15.3
58.96241	15.8
70.06606	17.9
72.83377	14.6
83.04999	35.1
105.07033	38.5
119.04939	19.2
121.06444	19.1
127.39149	15.8
133.06477	32.4
133.10098	21.4
153.05545	19.7
156.09427	25.2
157.10194	28.9
161.06036	37.0
171.11693	31.9
179.07043	19.6
180.03357	20.3
185.09608	17.4
199.11253	60.9
227.10721	27.5
245.11618	100.0
255.38426	20.8
263.12759	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35904	5.8
55.05505	39.6
56.78920	5.8
67.91089	5.9
69.03419	47.1
70.06560	31.6
74.06050	6.8
75.18264	6.4
81.03405	33.1
83.08617	60.7
85.02898	100.0
86.09709	23.0
86.84061	6.4
87.00823	26.9
95.18665	6.8
97.02882	27.2
99.04444	14.2
101.09656	29.9
104.46775	6.1
105.01838	48.0
109.02858	35.0
119.10691	23.7
120.08138	9.2
127.03917	62.7
145.04939	12.2
147.04341	10.0
149.31650	7.9
197.53029	6.9
231.04965	10.3
329.21826	7.7
335.35364	7.7
340.84991	7.3
342.02725	8.2
355.13306	8.0
356.96585	8.9
367.09790	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	23.4
55.05491	53.3
56.70763	16.9
56.82796	15.0
57.03426	26.9
57.07052	18.2
59.21776	15.1
65.69643	19.8
67.05492	100.0
69.07032	22.5
73.41505	19.5
81.07080	95.7
91.05475	67.4
93.07038	50.9
95.04958	24.1
95.08619	22.6
97.10210	17.7
105.07024	35.9
107.08614	42.8
109.10166	36.5
119.08574	26.2
121.10098	23.1
133.10066	33.2
151.11214	42.2
217.61305	27.9
244.06873	24.2
275.19864	28.1
293.21201	38.0
319.66959	23.5
346.31863	24.5
356.20129	26.6
367.24683	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97187	7.3
53.08750	7.8
55.05496	29.4
57.03413	10.0
61.02914	22.4
67.05495	41.8
69.07056	41.9
71.08619	40.2
76.59356	7.8
76.84083	7.9
79.05482	17.3
81.07041	42.8
83.08595	15.3
85.02886	17.0
91.03908	16.7
91.05488	10.0
91.71635	19.4
93.07034	13.9
95.04937	8.4
95.08588	14.5
96.32437	8.8
96.59852	7.8
97.02927	16.7
97.10152	19.8
99.08118	15.8
105.07028	12.0
107.08591	16.9
109.10156	11.8
121.10175	11.6
125.09632	15.0
171.44913	10.2
190.35597	9.3
293.21106	100.0
367.24796	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05421	10.2
51.40808	9.1
54.19962	9.2
55.01861	13.6
55.05495	43.2
57.03421	23.4
67.05503	58.9
67.05785	10.4
69.07043	36.5
71.08617	60.7
77.25333	11.9
79.05502	24.2
81.07044	52.2
81.23518	10.1
83.08604	13.4
86.63303	13.1
91.05466	29.3
93.07036	41.1
95.08620	25.4
97.10171	15.5
99.08076	25.8
104.30168	11.6
105.07027	20.8
107.04883	10.9
107.08579	14.3
109.03868	10.7
109.10159	12.8
114.84680	11.9
121.10101	18.1
133.10144	28.8
275.20001	20.1
288.65698	13.5
293.21103	100.0
367.24728	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	58.4
55.05502	100.0
73.01431	65.7
79.05482	81.1
81.07065	97.7
104.79064	75.1
105.07063	87.1
106.82442	81.2
113.16691	73.6
118.52486	76.5
123.24685	89.1
178.29723	86.2
195.72629	72.4
200.56419	65.7
367.24734	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	56.8
57.03437	33.3
62.62755	26.3
67.05511	48.1
69.07068	35.2
76.14409	25.6
76.76533	24.5
79.05483	61.9
81.07037	62.5
83.08590	49.5
91.05440	56.2
93.07023	79.7
95.04950	100.0
99.04509	33.2
105.93793	35.0
107.08575	51.0
111.04439	37.3
111.08039	31.9
127.23180	32.6
154.60167	34.5
223.13193	60.1
275.20135	46.6
288.36771	33.6
337.87842	33.2
367.24625	38.4
392.47186	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56971	28.7
55.23391	29.7
62.40499	32.3
67.05490	99.4
74.69480	37.0
78.27582	35.7
81.07047	100.0
87.03757	40.1
93.06998	53.8
95.04961	47.2
95.08543	48.7
105.07024	56.9
107.08586	46.0
156.62825	45.0
172.34630	46.5
180.94597	41.8
204.26361	52.5
237.52850	50.5
262.40430	41.4
263.66620	42.0
270.18179	40.6
367.24854	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	28.1
56.96556	13.3
67.05496	37.9
69.07052	32.9
70.42290	14.0
71.08620	47.8
79.05491	25.6
81.07047	41.3
83.08643	13.7
89.95155	12.8
91.05499	19.7
93.07053	24.8
95.04955	20.9
95.08597	22.2
105.07018	14.6
107.08588	27.3
121.10175	25.3
132.18372	15.0
148.83226	14.3
151.11279	15.5
246.21214	15.8
257.92743	16.9
275.20065	19.5
293.21158	100.0
367.24969	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73437	32.1
64.33698	37.1
67.05504	59.6
69.07069	53.4
70.98301	29.6
73.39288	27.1
80.40315	32.9
81.07026	69.2
82.86217	31.1
83.69409	33.7
93.07030	58.2
98.99245	36.1
105.07031	100.0
107.08640	80.0
109.10189	51.3
111.02666	32.1
119.08558	59.0
121.10175	44.9
125.80483	32.7
131.08549	39.6
133.10110	59.1
142.66173	36.0
143.86540	44.1
148.84676	38.3
149.09584	51.9
159.80562	37.4
169.66524	36.7
302.24112	38.5
310.67816	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	65.3
65.19189	37.4
67.05508	62.8
80.95254	44.9
81.07056	83.2
91.05476	50.3
91.70995	83.0
93.07026	74.7
95.08588	100.0
106.87642	48.2
110.25163	42.2
112.21938	44.4
114.97080	44.6
115.05134	43.0
119.08553	56.3
131.08557	58.2
201.49208	56.5
210.14125	50.5
214.97490	54.7
243.65564	47.2
244.72726	53.3
296.75568	51.4
393.11285	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12794	3.0
50.61333	2.7
50.74622	3.0
53.03925	3.9
54.13409	3.3
55.01861	7.7
57.03415	5.1
61.02924	5.2
66.01345	3.7
69.03422	44.1
73.02923	5.4
74.88361	3.8
81.03414	23.2
84.04473	4.7
84.27933	3.9
85.02896	100.0
87.00816	21.9
97.02882	26.2
99.04449	15.2
105.01862	57.0
109.02882	24.4
127.03921	54.8
145.04938	26.8
159.02879	15.4
231.05000	14.7
368.13239	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	15.7
58.57883	0.5
65.03935	0.9
74.12904	0.5
74.57693	0.6
91.05473	100.0
107.04945	8.6
108.08118	13.4
114.01775	0.5
123.90215	0.5
132.08055	1.0
147.08066	1.0
149.06007	2.5
163.11189	4.1
178.08621	2.4
181.43636	0.7
197.09671	2.2
219.17392	1.1
227.57477	0.6
256.13303	35.3
307.12094	0.7
312.19547	32.5
313.19989	1.3
368.25848	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17390	4.1
55.54269	4.3
57.03424	8.1
60.46673	4.9
62.04101	4.0
67.54732	4.7
68.99780	5.5
69.03421	26.6
70.06591	12.0
72.08138	6.7
75.30711	4.6
81.03409	21.2
82.50266	4.6
84.04518	4.7
85.02895	38.4
86.09693	5.0
87.00829	12.0
91.05466	22.0
93.07051	10.5
95.04948	5.4
99.04444	6.9
103.03963	8.7
103.05497	5.8
105.07034	18.3
107.04971	5.3
107.08625	11.4
109.02859	12.5
115.05469	26.8
117.07034	32.4
121.06486	45.6
122.06046	9.0
124.31402	5.3
127.03946	25.5
129.07014	15.7
129.10246	6.6
133.06508	15.8
135.08003	28.6
138.09084	7.5
140.00174	5.6
145.06464	44.0
151.07652	8.2
157.06538	11.8
158.07373	5.4
159.08058	12.3
160.03387	5.4
163.07526	100.0
163.08751	9.1
164.06996	11.4
175.07541	17.2
183.08012	8.1
185.06059	6.0
187.07602	19.4
201.09157	10.7
211.07657	7.6
213.10246	14.3
229.08615	26.5
247.09763	9.3
261.51465	6.1
265.04895	5.9
270.72583	5.8
283.11981	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53557	4.8
50.80996	4.6
55.01858	7.3
57.03430	6.6
61.78316	5.8
63.64133	5.4
69.03429	36.5
71.99261	5.7
72.08148	7.3
79.05469	7.7
79.70873	6.3
81.03411	26.1
85.02900	51.8
87.00797	12.5
91.05473	22.8
91.71725	7.8
93.07040	11.8
97.02870	9.8
99.04427	10.1
103.03943	7.0
103.05440	12.4
105.01899	9.5
105.07012	14.7
107.04926	9.5
107.08602	10.9
109.02872	18.3
115.05426	15.5
117.07003	40.8
120.08030	8.9
121.06500	43.1
127.03928	28.6
129.37735	7.5
133.06485	23.6
135.08044	43.0
135.59618	6.3
145.06476	59.0
146.00896	6.9
147.04410	14.9
157.06509	11.0
159.08038	10.1
163.07524	100.0
175.07599	10.6
183.08076	12.4
184.79317	6.5
185.05978	11.0
187.07590	21.7
199.93022	8.0
211.07576	13.1
229.08665	22.4
229.85858	8.1
247.09619	11.8
279.01917	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02385	29.4
57.80996	31.7
63.68413	32.0
66.61104	39.1
78.05072	40.0
80.49319	40.5
80.85995	35.4
91.05477	40.5
95.08630	75.3
101.61414	41.4
103.57654	38.2
105.07064	58.0
109.67117	36.7
119.08602	100.0
135.43027	36.4
137.06007	52.2
144.74214	36.0
145.10107	43.2
148.77014	44.1
178.67290	42.7
255.97997	43.4
261.85333	39.3
336.80276	40.3
356.09833	45.8
386.26221	41.0
390.05475	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54849	26.7
55.00299	24.3
57.03426	55.7
67.05482	59.8
69.07054	30.2
69.44621	26.3
79.05500	48.8
81.07047	82.6
85.10156	33.4
91.05483	46.6
93.07034	55.3
95.04971	53.4
95.08579	44.9
103.65853	28.9
107.08601	42.7
109.10164	59.8
113.09614	54.8
128.79976	30.5
133.10115	48.2
152.85614	31.4
190.95380	36.7
255.98038	43.4
277.21640	42.7
288.01312	36.9
295.22681	100.0
317.39359	32.0
336.07169	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	32.3
55.17591	18.3
56.50178	21.9
56.65525	21.0
57.07058	20.5
65.87481	18.8
67.05483	45.8
69.07037	24.4
81.07042	67.8
84.19457	20.8
85.10143	35.6
86.39545	20.1
93.07037	51.5
95.04933	25.2
95.08587	24.6
101.05538	23.7
103.34875	21.7
109.10123	52.2
117.80453	24.3
125.95911	22.9
165.12698	46.6
190.95477	23.6
213.97073	29.0
255.98026	46.6
273.99179	26.4
277.21484	56.7
295.22614	100.0
297.00729	28.4
301.80426	24.3
369.26031	31.1
383.41550	27.4
390.42050	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25019	53.1
57.82916	45.6
67.05499	65.9
81.07062	57.7
82.49483	51.2
87.24023	55.5
120.21677	65.7
157.01805	61.2
166.97878	60.2
193.48514	65.8
234.24422	75.7
247.02875	76.1
255.97992	100.0
278.59888	72.4
311.21353	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32444	2.0
67.41248	2.1
68.96722	1.8
69.03421	19.5
70.56199	2.4
75.10905	2.1
85.02898	4.8
87.04462	100.0
90.85069	2.1
101.93112	2.3
105.05499	45.4
112.63650	2.1
120.69635	2.1
128.07088	4.3
129.58435	2.5
138.61618	2.5
139.45695	2.2
155.07088	5.1
162.85234	2.4
172.00955	2.4
173.08093	13.1
184.76294	2.5
191.09149	22.8
210.55641	2.2
211.26387	2.5
275.54953	3.0
342.01102	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97514	1.1
63.50705	1.2
66.85683	1.1
69.07072	2.1
70.06588	2.5
84.04517	1.9
85.02908	3.0
86.06068	1.8
86.09698	100.0
101.07217	1.3
105.55202	1.3
110.07130	9.1
121.06516	15.1
124.07681	1.6
130.05016	2.6
132.10199	52.2
132.11134	3.0
138.09167	3.4
185.09845	2.8
326.15396	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56457	0.9
60.05345	1.8
60.05640	33.8
60.09705	0.8
67.67594	1.0
70.06580	69.7
70.09130	1.1
71.99198	0.9
72.08125	4.0
107.37295	1.1
112.08716	3.5
116.07083	20.4
130.09756	10.7
153.35081	1.2
158.09258	8.9
171.12296	1.0
175.11884	100.0
305.36093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.1
62.47956	0.5
65.03929	2.9
67.05482	2.1
69.07059	2.6
77.10321	0.6
81.07044	4.3
83.08621	1.5
84.79622	0.6
84.85564	0.6
85.31944	0.6
87.29438	0.6
91.05473	100.0
93.07040	1.1
95.08592	2.5
97.10170	0.9
106.06558	2.4
108.08113	8.9
109.10152	1.1
119.47592	0.7
131.08568	0.8
132.08089	0.8
136.18797	0.7
136.72346	0.6
156.92467	0.7
161.13232	0.7
204.13873	0.9
223.55394	0.7
270.92282	1.0
327.98743	0.8
329.93750	1.5
370.31094	6.2
370.96494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09430	1.2
50.30807	1.2
55.05504	1.5
62.88242	1.2
65.03916	1.4
65.57813	1.1
67.05504	2.9
69.07044	3.0
80.20814	1.3
81.07037	3.4
83.08604	1.7
86.09715	2.6
86.58076	1.3
91.05471	100.0
91.71017	2.6
93.06999	1.4
95.08585	3.1
106.06558	1.9
108.08109	10.0
132.08104	1.9
176.92950	1.5
222.89890	1.9
244.11449	1.4
370.31042	5.3
370.96017	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67292	17.5
56.43124	18.5
59.23449	16.8
60.05657	22.0
60.08151	29.9
70.93716	16.2
72.83276	19.8
78.38036	16.2
85.02850	27.5
93.36369	21.0
93.79568	21.4
95.06097	64.1
98.97585	23.0
196.59126	25.1
198.12494	41.9
221.59198	20.8
269.14627	100.0
303.22116	22.8
311.16946	40.3
354.02576	23.6
371.20010	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79820	1.6
55.89307	1.9
58.43834	1.5
60.08154	30.8
68.05007	5.7
69.97075	2.1
70.06571	6.1
79.08619	1.8
95.06079	100.0
110.28349	1.7
154.13367	44.7
175.11923	4.8
177.77484	2.5
198.12350	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	65.7
57.07062	16.3
72.77308	10.7
89.06023	43.2
93.07030	24.4
105.10029	11.6
121.06509	79.0
133.08566	26.9
165.09126	21.9
227.12912	21.1
240.67393	14.8
241.47687	14.8
282.17340	15.9
303.05472	16.2
305.19009	36.9
325.16022	14.2
337.23688	20.6
346.21606	17.2
353.24997	37.0
372.24210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.1
57.07060	0.8
65.03923	2.6
69.07051	1.7
70.89298	0.7
72.08153	1.3
72.64523	0.8
78.80033	1.0
83.08611	1.3
86.73627	0.8
91.05471	100.0
95.08616	0.9
108.08108	5.4
110.77726	0.8
110.87933	0.7
117.59791	0.7
128.67509	0.8
178.28470	0.8
200.39113	1.0
204.13667	1.1
274.19318	0.9
372.32608	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.8
57.43601	2.0
61.79460	2.1
62.80877	2.0
69.03401	2.9
69.07058	2.8
70.06572	10.3
72.08145	100.0
77.32792	2.4
81.03420	2.5
84.04478	4.2
84.08129	4.3
85.02882	4.6
86.09702	22.9
87.00829	2.9
87.72683	2.4
89.85045	2.4
91.05462	14.9
97.06503	4.2
98.08437	10.5
105.07024	7.3
109.02900	4.3
120.08080	30.0
122.06025	2.7
125.09492	10.5
130.05022	3.0
130.06526	3.9
130.07394	9.1
132.08018	3.5
133.59924	2.7
153.08951	39.4
164.07054	3.7
167.03180	3.0
181.17538	2.3
188.14330	12.6
201.13889	3.9
216.14960	9.2
227.05219	9.1
244.14426	88.7
261.82144	3.0
269.87500	2.9
271.04230	29.6
286.22726	24.6
314.22235	61.2
329.12015	6.6
373.11060	48.7
373.29611	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	7.8
69.07076	5.5
70.06591	15.1
72.08147	100.0
72.08526	6.8
73.21083	3.6
76.12724	4.6
76.97061	3.9
81.03454	4.5
82.02894	4.3
82.52486	4.1
84.04503	6.4
84.08167	8.0
86.09699	33.0
86.33532	3.7
91.05499	11.7
98.08479	8.5
99.04565	4.9
105.07042	10.3
111.81052	5.0
120.08083	25.1
125.09520	11.2
130.07475	9.3
132.08139	6.6
153.08966	31.6
168.55414	5.4
188.14417	13.0
216.15057	11.3
227.05267	10.2
240.06490	5.5
244.14449	94.5
244.16753	6.3
246.90085	5.3
271.04156	35.7
271.91754	4.9
286.22836	24.3
314.22208	65.4
373.11053	57.4
373.29703	13.8
386.70166	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83807	1.9
55.05498	2.2
56.05027	3.3
65.32695	1.9
68.01765	1.8
70.06606	2.0
70.34413	2.2
72.07539	2.0
72.08147	23.5
79.50814	1.9
84.49212	1.8
98.06063	11.1
126.10279	3.1
126.64655	2.6
132.95683	2.1
135.09206	7.0
136.09952	8.4
138.10190	2.5
138.11565	3.4
139.12335	5.2
142.64566	2.5
151.88147	2.3
152.08163	16.9
152.11826	5.7
153.08952	12.1
164.11781	2.3
174.33157	2.1
178.09692	2.9
180.11307	100.0
222.19676	9.9
226.10138	9.4
234.55966	3.0
244.11142	44.0
250.19139	19.9
272.84741	2.3
273.75403	2.3
286.19443	7.9
307.15067	2.4
314.18820	10.3
325.19177	2.3
345.99988	2.5
373.26257	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64077	2.1
62.75344	2.1
62.80399	2.2
70.06580	3.7
72.08147	100.0
72.57381	2.2
91.05490	3.0
97.06532	3.7
98.08427	11.2
105.07025	8.8
120.08083	22.3
125.09562	3.4
127.28004	3.6
130.07343	4.6
153.08934	27.7
160.09067	3.0
167.10500	2.9
188.14319	17.4
216.14992	9.9
225.02643	3.3
244.14435	65.2
279.39246	3.0
282.82925	3.3
286.22729	21.5
314.22226	74.3
333.78036	2.9
358.03094	3.3
373.29568	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.296
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53732	1.3
69.07055	2.0
70.06544	1.7
71.64114	1.4
72.08145	37.1
75.33241	1.5
90.22241	1.5
91.05466	2.3
96.60671	1.4
97.06509	3.4
98.08426	10.5
120.08084	24.3
121.54747	1.6
125.09483	10.4
130.07378	6.5
140.12822	1.8
153.08957	39.3
161.26329	1.6
188.14256	8.6
216.15044	3.4
228.15082	1.9
244.14426	100.0
286.22687	12.0
314.22214	30.3
373.29733	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49435	2.5
68.44960	2.4
69.07051	2.7
70.06581	5.4
72.08146	96.1
72.08535	6.3
72.24264	2.4
72.62768	2.2
74.56393	2.7
91.05479	7.0
95.41296	3.0
96.64751	2.8
97.06532	6.7
98.08421	8.5
103.46333	3.2
105.07037	9.0
108.38797	2.7
110.16592	2.8
120.08106	23.1
125.09498	8.1
125.60827	2.6
130.07405	9.2
153.08955	30.1
175.61230	3.2
188.14311	17.0
216.15044	7.6
244.14450	100.0
257.10394	3.3
263.01254	3.9
282.30719	3.1
286.22821	23.5
314.18539	3.2
314.22205	66.4
373.29767	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.1
69.03407	6.8
69.78191	2.4
70.06570	2.5
72.08147	56.4
73.08468	5.8
73.56792	2.2
74.70088	2.2
81.03415	3.3
85.02893	17.3
89.03902	7.5
91.05494	2.6
97.02907	6.3
97.06537	4.2
100.82506	2.8
105.07017	4.4
107.41827	2.5
116.49775	2.5
117.03374	8.8
120.08105	7.0
121.08399	2.8
124.32205	2.6
125.09607	2.8
132.08044	3.0
145.02855	30.0
145.04962	4.2
149.06015	6.7
153.08986	7.7
156.51553	2.6
158.06042	2.8
177.05463	100.0
186.05550	15.8
188.14346	6.3
195.06516	44.4
216.14899	6.9
244.14479	23.7
245.14680	6.9
286.22937	8.2
287.23090	4.3
314.22250	29.4
315.22714	16.2
384.46924	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31043	2.7
53.03931	6.4
55.01858	6.5
57.03431	7.6
59.55254	3.4
60.08154	9.5
61.02926	3.6
67.60411	3.4
69.03424	32.0
70.06580	5.9
72.08151	25.9
73.02896	4.3
75.23891	3.1
75.74522	3.4
81.03407	29.2
84.04517	3.6
85.02898	100.0
87.00826	14.9
97.02885	41.4
97.06547	5.5
99.04426	15.4
102.05536	3.4
103.03919	3.7
105.01855	30.0
108.04474	7.2
109.02876	23.9
109.06536	7.6
120.08158	9.8
127.03911	60.0
129.01888	6.8
129.59467	4.7
142.89064	3.7
145.04956	29.4
153.08958	10.0
159.02892	23.1
168.06625	6.0
172.57611	3.6
229.15581	4.2
231.04964	7.2
244.14381	21.2
245.14806	8.4
261.23172	4.0
314.22324	11.0
315.22543	4.8
328.74820	3.8
354.45380	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71465	2.5
53.03936	3.7
55.01855	2.8
56.05005	3.5
57.03420	3.1
60.08150	2.9
60.50669	2.8
61.02913	2.6
67.05488	3.5
69.03419	14.8
70.06577	4.7
71.04972	4.2
72.08148	40.5
81.03413	13.2
82.30205	2.7
84.04496	10.0
85.02898	36.7
86.09702	31.8
87.00834	10.8
91.05478	100.0
93.28691	3.1
96.90631	2.8
97.02899	15.7
99.04469	5.8
102.05513	3.7
105.01868	18.0
105.06978	3.3
107.27608	2.6
109.02876	11.8
120.08118	9.1
125.09464	4.5
127.03905	20.0
129.10185	3.2
132.10208	7.6
135.35638	3.1
145.04977	11.9
145.06119	3.6
153.08983	13.5
159.02873	3.8
170.51161	3.1
188.14523	3.5
215.13893	6.0
231.04997	5.7
237.69618	3.3
243.13322	5.3
244.14456	30.4
245.14790	9.9
286.22772	6.6
303.49881	3.6
303.63165	3.4
314.22168	16.0
315.22638	8.2
319.60800	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2073
Annotation	SB 202327
Peak:m/z	Relative Intensity
50.44602	2.6
58.06583	14.9
59.07354	3.7
60.07863	5.7
60.08156	100.0
62.23713	3.0
65.79370	3.2
69.03423	4.4
69.07059	16.2
72.08143	16.1
73.62543	3.2
79.89346	3.4
84.04440	3.5
86.09699	5.7
89.60143	3.6
95.86685	3.7
97.06521	7.7
120.08158	5.1
124.07583	6.0
126.98678	4.2
130.06523	6.1
146.06003	35.4
153.08931	6.0
154.57980	4.4
158.06023	12.7
173.07103	13.1
174.05588	10.1
202.05011	6.1
229.15437	11.1
244.14453	13.2
245.14812	7.8
314.22137	6.8
315.22644	8.0
356.62094	4.4
374.20663	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	4.0
56.37746	2.9
60.08134	4.1
60.58661	2.7
68.05003	3.6
68.62025	3.1
69.03413	4.3
69.07063	5.5
69.41315	3.1
72.08142	8.0
81.03420	7.4
84.04475	8.3
84.90403	3.1
93.58150	3.6
96.04493	23.7
97.02890	5.1
98.06051	10.9
99.04381	3.7
109.02906	3.6
121.08376	3.7
126.05511	18.4
138.05490	100.0
144.06561	15.6
148.68849	3.4
160.60901	3.4
168.06567	14.3
186.07642	14.6
226.53177	3.6
245.14764	7.7
270.20688	5.0
271.20969	14.8
315.22757	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25761	4.0
64.89392	4.1
67.86938	4.4
69.03424	7.2
69.07066	5.2
70.91842	4.4
72.08144	13.5
79.92307	5.0
81.03384	7.1
84.04498	21.6
90.00513	5.1
91.71607	5.6
96.04462	15.9
97.02950	5.4
98.06047	10.4
109.02859	6.3
109.71483	5.4
120.08087	5.1
126.05514	28.5
138.05498	100.0
139.67290	5.3
144.06563	21.7
144.88284	5.2
153.01050	5.3
153.09033	6.7
168.06601	14.0
186.07654	22.5
239.77171	5.9
245.14552	6.4
265.85269	5.1
286.22977	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79369	1.6
60.08168	5.2
61.91593	1.5
65.39053	1.4
69.03426	3.1
69.07046	1.7
72.08163	2.6
80.05024	1.7
81.03416	2.7
84.04532	7.3
91.32831	1.6
95.74837	1.7
95.81623	1.6
96.04484	20.1
96.20876	1.6
97.02914	6.1
98.06045	12.4
98.18045	1.7
99.04448	2.0
109.02894	3.9
114.94016	1.7
122.34459	1.8
126.05494	17.4
127.03939	3.3
138.05490	100.0
144.06541	18.5
168.06535	15.8
186.07588	14.8
187.95505	2.1
202.08728	2.2
204.08652	3.1
215.28416	2.0
253.14868	1.8
374.24265	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82635	4.3
60.08155	100.0
65.26698	4.8
69.07045	8.9
72.08134	10.7
79.95565	4.7
84.04503	7.0
96.04516	7.5
97.02834	5.4
97.06530	7.8
98.06060	11.9
109.02848	7.8
114.12676	6.5
120.41989	6.0
126.05508	18.7
130.06503	14.8
138.05495	80.4
144.06544	10.8
157.07524	6.2
159.09186	11.8
160.07579	25.4
168.06540	12.2
185.07018	46.2
186.07596	11.6
202.08583	17.7
203.09415	5.5
244.14410	13.4
315.22467	6.8
374.20197	7.9
374.24402	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55489	1.4
57.64830	1.5
69.64959	1.4
71.17973	1.4
72.08145	15.0
73.08479	2.3
76.81906	1.4
85.03215	1.6
91.04920	3.4
91.05475	60.8
105.07019	3.9
109.21725	1.8
114.12798	5.1
117.06996	1.9
119.08584	16.0
120.08089	4.4
121.10116	1.7
127.04581	1.9
133.10155	3.7
135.08076	5.1
137.09604	19.6
149.09573	2.4
149.13237	2.7
153.09010	5.7
154.09338	1.8
161.09618	6.1
166.68829	2.0
177.12740	100.0
181.10170	3.5
188.14342	3.1
194.15558	2.9
198.12770	44.3
244.14467	12.7
245.14783	9.6
251.68007	2.2
287.23111	5.0
314.22479	4.3
315.22595	9.9
346.71793	2.2
374.24768	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	15.2
56.45552	7.6
65.38660	7.2
67.05497	17.1
69.07053	11.4
70.06583	9.0
72.08149	19.7
79.35168	7.8
82.06567	19.9
90.55288	8.9
90.94869	8.6
110.06048	18.5
120.08088	12.4
124.12071	9.1
137.01625	8.5
174.60284	9.8
236.23575	16.1
245.14728	16.3
245.84135	9.9
248.23802	11.9
250.25401	19.6
278.24863	52.2
283.88501	10.9
296.25778	26.1
312.42264	10.1
314.26767	13.2
315.22510	24.7
319.72968	10.2
333.42349	10.3
338.26654	13.0
350.01926	10.8
356.27722	32.0
374.28986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43365	2.1
52.10174	2.0
55.54725	2.5
59.71000	2.2
65.03931	2.8
69.07039	2.7
72.08149	24.2
73.08463	4.9
73.97070	2.2
75.75834	2.4
91.05470	100.0
98.08414	3.1
113.32095	2.6
114.05825	2.8
114.12798	20.2
120.08093	4.6
121.08430	4.2
147.75040	3.0
153.09009	7.7
154.09270	3.5
215.59540	3.3
244.14494	13.2
245.14841	16.6
260.13974	3.0
287.23138	6.4
297.29025	3.8
315.22501	16.4
357.86856	3.2
374.29773	4.9
374.34140	34.3
375.27707	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06264	1.5
57.07068	10.9
58.06583	4.3
59.94050	1.5
70.06587	26.9
71.08598	5.9
72.08130	4.0
81.73051	1.7
88.07093	2.9
88.07618	28.3
102.09169	19.1
111.82122	2.0
142.70413	1.8
245.14806	4.3
312.32587	41.3
374.36246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39518	17.7
53.31063	16.3
56.16805	19.3
56.48684	16.1
56.96537	18.0
59.16425	17.8
68.35471	18.2
70.06575	63.3
72.08123	60.7
76.82016	22.8
84.04472	30.1
84.95992	24.5
98.97601	38.7
103.85194	21.2
114.12800	100.0
116.98606	25.9
140.00191	47.0
176.70932	20.9
177.05217	22.9
179.57228	23.6
251.83623	22.5
315.22546	37.0
330.12219	63.1
335.76740	32.4
375.27481	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44136	12.3
56.82457	12.1
58.06584	13.5
60.08154	31.0
66.68819	13.8
67.05499	17.9
70.06608	25.9
72.08147	47.8
85.02948	13.7
91.71631	36.8
98.97572	47.5
107.08684	16.0
114.12811	100.0
120.08096	18.4
136.07568	16.7
140.00247	22.6
181.02930	23.1
274.84924	16.6
330.12207	79.1
372.13184	23.7
375.27435	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.4
61.37209	3.7
67.05494	100.0
69.03429	9.0
70.06604	8.0
71.04983	9.9
72.08162	12.3
74.70494	4.5
81.07062	16.6
83.08604	7.5
85.02907	11.5
90.64810	4.4
91.05527	7.0
97.02904	10.2
104.22614	4.7
109.10152	56.2
114.12794	25.7
127.11192	8.5
141.74211	4.5
143.89850	4.6
233.35612	5.8
310.34045	5.2
375.27661	6.8
376.33160	5.3
395.00323	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59167	11.0
69.47486	12.9
69.59757	12.9
71.08641	47.4
72.08144	23.3
81.07062	12.3
81.32449	14.1
91.05491	30.5
91.71053	19.7
99.08147	35.0
105.07036	16.1
105.60060	17.9
105.94157	13.5
114.12788	100.0
117.07014	21.2
119.76005	12.2
132.08914	13.9
236.57677	15.0
246.80673	16.9
288.33832	17.7
339.22556	15.3
375.27560	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07338	14.9
57.19559	14.4
67.05492	48.7
71.08627	58.1
72.08156	32.7
76.95845	14.9
79.05494	23.0
81.07050	33.3
91.05497	29.9
93.07037	23.6
99.08097	45.7
99.66786	16.1
105.07070	19.3
114.12796	100.0
114.45062	17.0
117.07021	30.9
119.08579	22.8
126.57549	16.2
130.46808	15.6
131.21432	18.9
375.21255	25.7
375.27637	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79171	10.4
55.05496	17.7
61.41909	13.5
67.05466	14.2
72.08132	17.2
72.56084	13.4
73.43950	12.7
74.54596	16.6
81.07048	37.3
89.80103	13.7
90.65196	15.9
91.05476	44.1
93.07024	61.1
95.04924	20.3
95.08587	31.4
105.07017	95.6
107.05054	12.9
107.08591	44.7
109.10116	18.3
113.02193	14.0
114.12802	100.0
117.06985	25.4
119.08577	57.3
119.19736	13.7
121.10141	46.1
131.08519	28.3
133.10139	30.2
142.07671	14.6
145.10100	32.3
157.10115	24.1
159.11681	16.8
169.10101	18.9
219.19403	16.4
235.74709	14.9
238.41820	14.5
250.75891	14.3
300.59872	16.8
375.27435	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84474	2.9
60.27282	3.3
62.89331	3.1
72.08144	66.7
83.04971	10.0
98.08453	7.3
107.04949	49.4
110.63594	3.5
125.09509	5.9
136.07616	10.6
138.10262	5.2
140.55865	3.8
142.31346	3.5
153.08998	6.1
154.09790	20.1
165.80045	3.4
190.12193	18.4
194.20195	3.1
202.89729	3.7
232.14511	6.5
244.14343	4.9
260.13928	100.0
264.46600	4.5
288.20697	27.4
316.20190	51.3
375.27612	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68444	1.8
60.99837	1.9
68.57500	2.1
69.09927	2.2
70.06613	4.0
72.08149	51.4
72.08526	3.8
76.95990	2.2
83.04974	4.5
91.05462	3.0
98.08456	4.9
107.04951	34.8
109.40886	2.2
111.78172	2.2
125.09539	4.5
126.10313	3.1
136.07623	11.6
138.10283	6.5
138.60956	2.8
153.09016	7.2
154.09743	24.0
159.08078	3.3
190.12280	19.7
232.14465	3.4
260.13916	100.0
288.20718	30.9
316.20163	51.4
375.27579	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65808	0.5
57.79544	0.6
70.06551	0.7
72.08132	1.5
77.03917	0.7
81.36943	0.6
84.04493	1.9
86.09673	2.2
91.05460	3.2
93.07037	6.1
95.04968	3.1
103.05455	3.1
105.87164	0.6
121.06499	100.0
122.06873	1.6
138.09135	21.7
143.98526	0.6
147.40495	0.7
148.06052	0.7
148.52249	0.6
148.99319	0.6
183.11462	0.7
214.56989	0.7
222.54324	0.8
278.98431	0.7
351.48019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06575	6.6
60.08156	95.5
64.44724	1.9
69.07059	17.6
71.57145	1.8
85.71755	1.8
91.22630	2.1
91.71754	3.4
96.72739	1.9
97.06512	9.0
101.43234	1.7
106.43138	1.8
112.90483	2.0
130.06525	36.9
132.04457	14.9
143.41840	1.9
157.07605	22.7
158.06001	42.1
173.07028	3.1
175.08643	57.6
203.08224	3.1
218.10727	2.1
221.09196	17.0
333.87878	2.3
376.17435	5.1
376.22278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	7.9
60.08155	100.0
69.07069	13.7
70.06567	2.6
72.08131	2.4
73.57699	2.1
84.58788	2.1
86.09652	2.9
91.60719	2.0
94.06563	4.0
95.42248	2.2
97.06518	10.1
97.13558	2.4
130.06519	31.9
132.04425	19.0
142.62610	2.7
148.08449	2.5
157.07635	23.1
158.05997	39.9
158.75285	2.5
175.08659	49.9
203.08208	5.3
221.09164	15.9
372.67465	3.0
376.22275	63.8
376.29587	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54699	5.1
58.06578	7.4
60.07896	7.8
60.08157	87.6
69.07051	24.2
70.06580	29.1
77.15103	5.5
91.05425	6.0
91.59787	5.3
97.06514	40.5
109.60909	5.6
111.24547	5.8
114.12778	6.7
130.06522	25.8
132.04466	10.3
141.98840	6.3
148.65559	6.1
157.07579	13.7
158.06027	34.7
158.47173	7.4
175.08681	38.1
221.09320	17.9
229.15390	8.8
291.18240	8.3
317.15005	20.0
318.23660	6.5
370.83832	6.4
376.22321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05488	8.7
57.07085	59.6
60.85844	11.7
62.51063	9.3
69.00426	8.9
97.32387	11.5
97.74002	11.1
112.32212	11.4
114.12874	11.7
130.12846	13.7
233.70334	12.9
241.88954	13.0
305.53802	14.4
376.25894	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97567	41.4
60.05744	46.9
60.08155	48.4
72.08146	58.2
73.24626	52.7
78.92883	49.9
80.72166	47.9
91.05461	72.1
114.57140	52.9
129.44856	60.8
252.06853	62.0
377.04645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
57.03439	11.9
61.02933	4.6
69.03417	19.8
71.04996	4.3
73.02917	3.4
78.69245	3.2
81.03432	3.9
91.71628	3.5
99.04476	8.4
123.26928	3.5
148.83444	4.1
172.08694	27.7
179.24744	3.4
198.06699	7.5
200.08279	4.0
216.07655	17.9
243.08748	67.3
243.11035	5.0
377.14554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.7
55.48838	2.9
57.03423	4.3
57.07075	3.7
58.99578	9.7
61.01146	4.7
63.42325	2.7
67.05502	20.7
71.08614	7.2
76.02223	21.6
82.02708	2.9
82.54600	2.6
83.08595	3.4
84.04494	47.5
89.00611	10.6
91.02184	2.8
97.10181	4.2
99.08038	3.3
99.74612	2.9
105.00109	8.0
105.51170	2.9
109.10152	17.0
122.02724	82.8
127.11181	25.5
130.04991	7.0
130.43465	3.1
134.03821	2.8
142.03273	6.5
159.08394	100.0
168.12062	2.8
188.03841	7.3
248.13091	30.3
377.17474	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35012	12.1
62.25898	11.8
67.05489	65.3
79.05473	30.0
81.07047	60.2
82.53001	14.5
91.05474	100.0
93.07032	47.5
95.08606	54.0
102.61787	13.4
105.07009	49.3
105.41624	15.8
105.48872	17.3
107.08548	27.7
117.07011	30.2
119.08587	52.7
121.10150	29.7
131.08563	56.1
133.10118	26.1
135.11682	16.1
145.10118	36.3
159.11688	36.1
161.13281	22.4
171.11739	27.7
173.13297	41.4
183.11769	17.0
185.13380	16.0
187.14833	19.5
201.16331	23.6
211.30484	15.1
267.21140	15.6
285.22131	50.8
377.26752	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2684
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
51.66826	5.1
53.00847	4.8
55.01861	10.5
55.05494	23.0
57.03426	15.5
64.27980	4.9
66.59419	5.0
67.05499	100.0
69.07059	25.3
71.04984	10.5
79.05492	50.6
81.07047	92.6
83.08648	7.5
85.06546	17.4
91.05472	93.1
93.07036	74.7
95.08604	55.5
105.07027	76.6
107.08595	41.6
109.10150	24.1
117.07039	53.3
119.08590	66.6
121.10172	36.6
123.11678	12.5
129.05457	9.5
129.06993	19.5
131.08578	68.1
133.10127	46.2
135.11696	26.7
141.06987	12.2
143.08536	15.3
145.10127	41.4
147.11694	31.7
149.13269	14.4
152.17375	6.3
155.08598	10.6
157.10139	26.0
159.11684	35.9
161.13277	19.2
163.11273	10.9
163.14841	10.5
169.02621	6.6
169.10135	14.1
171.11743	16.5
173.13281	27.7
175.11142	7.7
175.14841	29.1
183.11633	14.5
185.13213	16.5
187.14862	18.5
189.16397	9.8
197.13351	16.9
199.14885	19.6
201.16412	46.0
211.14854	8.6
225.16310	8.5
243.21101	17.6
244.81140	7.0
257.22791	7.5
267.21039	39.8
271.96738	6.5
285.22113	73.6
303.23035	10.2
359.25958	16.5
377.26797	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2687
Annotation	2-eicosapentaenoyl-glycerol
Peak:m/z	Relative Intensity
55.05502	26.2
57.03444	16.8
57.07072	15.4
60.21910	13.0
67.05497	70.6
69.07043	18.3
73.49400	14.2
73.69338	14.9
79.05502	31.6
79.67096	15.4
81.07054	66.6
85.64182	13.7
90.11023	12.9
91.05496	58.4
91.71609	33.7
93.07049	54.1
95.08600	32.1
98.18212	13.7
103.33353	13.8
105.07045	95.5
112.43228	15.8
112.64541	14.4
113.50330	14.9
117.07012	52.6
119.08597	52.2
126.74084	17.2
129.05507	14.9
129.07010	28.1
131.08568	100.0
132.89482	15.5
133.10150	19.9
135.11694	20.4
145.10146	50.4
157.10210	30.2
171.11678	17.2
177.36557	17.1
183.11693	17.9
201.16313	18.1
249.62598	17.9
267.20978	36.9
285.22180	82.4
377.26923	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	28.0
67.05491	96.4
69.07056	29.8
79.05469	55.0
81.07042	44.4
91.05468	82.4
91.87981	26.7
93.07054	62.6
95.08589	34.3
100.12243	25.1
105.07036	99.0
117.06992	83.4
119.08578	58.6
120.21971	27.4
129.07040	28.0
131.08575	100.0
131.30171	28.0
137.99989	26.3
140.18123	25.1
141.07037	28.0
143.08609	31.1
145.10135	33.9
157.10197	33.6
158.86659	25.7
159.11748	28.1
171.11635	38.7
181.97159	26.3
235.17499	26.6
285.22134	53.5
377.20819	32.9
377.26773	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75647	38.0
52.80486	36.9
56.96545	42.8
67.05486	100.0
75.29861	44.1
81.07041	59.9
91.05479	64.8
122.40090	55.7
161.27347	48.4
170.20181	47.3
189.18971	46.9
246.17940	47.7
377.27087	64.0
391.53464	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33301	30.9
59.47521	42.0
67.05488	82.1
91.05472	96.0
93.07006	87.7
95.08620	50.3
105.07040	100.0
131.08559	63.7
138.04922	44.5
146.20436	47.9
180.89497	45.7
241.77148	45.3
262.25119	45.2
271.20453	55.2
297.59772	51.7
354.37103	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80884	41.3
56.76005	47.2
62.80915	44.1
67.05494	95.9
71.55791	51.5
79.29609	56.4
81.07066	65.4
86.51911	48.8
91.05525	61.1
93.07014	100.0
105.07028	75.6
119.08569	71.5
133.80901	49.7
161.78201	53.0
167.56956	56.2
187.14844	67.0
285.22058	68.8
377.26859	97.8
400.93744	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19945	26.6
73.45961	29.1
91.05471	95.5
117.61005	30.7
124.44292	32.5
126.60800	28.1
131.08585	100.0
134.40118	27.7
156.62033	39.3
164.56117	28.2
199.23965	32.9
253.41496	41.2
346.98242	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	56.7
70.06581	100.0
72.08119	35.4
74.98097	36.6
84.08117	51.7
86.09680	49.9
100.28699	40.7
102.89761	33.4
103.14745	33.9
125.93732	39.8
225.83394	49.4
315.06393	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61885	1.8
55.05487	6.6
58.06577	8.0
58.95350	2.0
60.08158	100.0
70.06567	3.1
72.08104	2.9
83.04980	14.1
84.04501	2.3
84.08113	2.4
86.09714	3.0
88.04018	2.6
88.40493	2.5
94.06557	10.6
118.06519	3.7
120.04463	14.3
127.82588	2.0
136.07593	5.5
138.14673	2.5
146.06004	31.1
148.03923	10.6
150.05516	3.9
162.81915	2.2
174.05479	16.2
192.06483	3.9
202.04950	3.2
239.36482	2.7
329.94470	2.6
378.20206	82.8
379.10007	16.9
379.20596	3.9
398.11523	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71419	5.6
52.78485	6.3
54.21449	6.7
55.05519	10.3
56.05065	7.5
68.05021	10.5
70.06606	15.2
78.34299	7.4
80.05021	14.8
84.04485	46.0
86.06099	8.6
96.04482	100.0
97.02922	14.2
98.06071	32.4
111.01194	8.0
126.05551	33.0
127.70023	7.9
144.06570	65.1
153.11630	8.5
176.17686	10.2
185.26375	8.0
267.85355	9.4
378.32220	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06571	20.4
64.36904	6.2
66.65771	6.1
67.24783	7.2
67.28413	6.6
72.08150	16.7
108.94917	7.7
111.29343	7.2
115.77465	6.4
129.57504	6.4
132.10197	58.5
168.28828	7.2
182.96220	7.0
193.63094	7.4
225.77406	7.3
286.27396	40.8
330.75946	7.5
378.32178	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99627	8.5
71.08064	9.1
71.08621	35.6
88.11266	100.0
100.66909	9.1
119.46786	12.0
176.95955	11.6
187.63252	10.1
202.64389	10.5
214.39236	11.2
223.93596	10.3
225.41429	9.7
285.92709	10.7
291.80344	10.8
351.23648	11.9
378.33838	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.0
58.06578	6.0
60.07865	3.2
60.08158	52.6
61.08473	5.9
70.06575	3.3
72.08126	4.7
83.04964	8.9
88.54064	2.1
94.06561	3.6
100.11217	3.0
120.04494	4.1
120.08095	3.6
136.07591	3.7
138.09105	2.5
146.06027	13.5
147.06378	3.7
148.03946	4.1
148.65717	1.9
174.05524	5.9
175.05864	2.1
185.04288	2.3
217.04636	3.6
251.54956	2.2
284.62122	2.2
317.60004	2.5
378.20132	20.9
379.09961	100.0
379.20444	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47459	1.5
55.05499	8.8
56.05027	3.0
57.07066	6.2
57.35565	1.5
58.99581	2.9
62.99065	11.7
65.27299	2.1
67.05489	7.3
68.06070	1.8
69.07059	100.0
70.02952	1.7
78.38488	1.8
84.04498	43.7
86.31106	2.0
87.02687	18.8
88.02180	2.8
88.03979	14.8
90.04636	2.5
91.70983	3.0
95.08636	2.2
109.10145	2.5
111.11703	24.4
115.07816	1.9
122.02715	4.2
130.05016	9.2
143.08894	7.8
161.09940	49.6
161.11223	3.8
188.03777	3.5
215.10956	12.9
215.71167	2.3
232.13664	9.1
233.12036	24.3
236.68607	2.0
250.14737	14.8
331.37836	2.9
344.15167	2.7
361.17926	3.8
379.18951	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	12.9
57.03419	6.6
57.07048	7.1
62.65047	3.9
67.05495	100.0
69.07057	12.0
71.04997	6.4
79.05488	36.5
81.07045	92.8
85.06526	4.7
91.05463	33.4
93.07046	43.9
95.04977	6.0
95.08601	55.2
97.06552	4.8
97.10178	5.6
99.65490	4.8
105.07037	20.6
107.08611	29.2
108.01011	4.0
109.10152	31.0
117.07005	7.8
119.08583	24.9
121.10130	31.9
123.11708	24.2
129.05455	11.8
131.08569	18.8
131.19647	4.2
133.10156	23.6
135.11690	22.0
137.13239	5.9
143.08548	5.5
145.10147	14.5
147.11697	17.3
149.09599	8.1
149.13316	7.0
151.71231	4.6
157.10124	6.0
159.11694	12.8
161.13264	8.0
171.11610	6.8
173.13266	11.1
175.14839	6.2
185.13278	9.2
187.14771	5.9
189.16397	7.7
199.14946	7.9
201.16359	6.2
203.17946	6.0
230.13899	4.6
269.22681	28.0
287.23761	28.2
376.92157	5.5
379.28583	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85083	20.1
54.15282	19.2
55.05500	26.4
57.57299	18.2
60.47396	21.1
67.05490	100.0
69.07052	30.8
71.04924	19.5
79.05482	51.6
81.07053	79.7
83.77749	20.6
91.05470	82.8
93.07041	89.9
95.08589	56.2
98.25877	21.5
105.07030	81.4
109.10172	27.7
113.12451	22.8
114.20956	21.8
114.61719	21.5
117.07001	28.5
119.08578	86.5
121.10130	42.6
121.51460	21.8
131.08586	52.3
135.11737	31.3
161.88460	28.0
163.73761	22.5
171.11717	30.7
175.14746	32.0
269.22647	59.8
287.23691	73.3
295.24927	25.4
331.07343	26.7
379.28244	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
54.28938	4.5
54.36702	4.3
55.05500	19.3
55.97313	4.3
57.03437	10.3
57.07065	23.6
61.85921	4.6
65.03942	7.7
67.05495	79.6
69.07058	22.9
71.04978	6.6
71.08627	7.2
75.04506	6.4
76.74615	4.9
79.05482	62.9
79.40992	4.4
80.72340	4.9
81.07049	72.8
83.08608	9.7
85.06537	14.9
85.10162	6.0
91.05476	100.0
93.07034	81.0
95.04987	8.3
95.08590	45.5
95.82084	6.0
101.97327	5.2
105.07023	91.2
107.08581	30.7
109.10160	13.9
117.07047	25.2
119.08576	90.5
121.06437	6.0
121.10120	50.3
125.09700	6.7
129.06978	30.3
131.08572	45.6
133.10155	46.5
135.11707	18.5
136.40076	5.4
143.08551	27.2
145.10173	24.6
147.11656	30.9
149.09651	9.3
157.10117	26.9
159.11673	9.8
161.09660	8.9
161.13251	17.2
171.11691	33.1
173.13313	8.0
175.14845	19.4
177.16376	9.9
185.13232	28.6
187.14833	6.1
189.12793	7.3
189.14780	5.8
189.16235	27.8
199.14864	13.6
199.16698	6.4
203.17995	45.3
239.64529	7.5
245.22635	16.9
259.20645	13.6
259.24225	8.9
269.22635	74.2
284.24710	7.1
287.23676	98.9
296.18066	9.4
379.28424	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	40.7
57.07084	32.2
67.05495	99.1
69.07069	43.1
79.05471	57.8
81.07046	100.0
83.08620	50.4
91.05477	73.3
93.07034	67.6
95.08625	52.5
105.07051	78.6
119.08580	90.9
121.10156	86.8
131.08553	46.3
133.10141	50.2
135.11682	40.1
137.42062	37.4
145.10056	43.1
206.98686	35.5
246.53796	34.4
269.22510	63.1
291.98715	40.5
379.28555	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78073	25.7
54.36328	34.1
55.96265	35.0
57.07067	52.7
58.17856	25.6
60.71433	29.6
62.31554	32.5
67.05482	87.1
69.07043	56.8
78.68871	28.2
79.05479	48.6
81.07021	69.2
82.31672	29.3
88.25620	30.5
91.05466	87.8
93.07048	95.5
100.26173	37.1
105.07015	100.0
106.09578	32.2
108.31670	44.5
109.58052	39.2
111.53829	37.8
117.06985	43.7
119.08578	75.5
121.10171	58.7
129.07005	38.6
133.10085	35.6
147.11710	48.5
163.11163	35.2
231.93303	36.0
260.38367	35.2
287.23730	83.5
304.28690	39.6
378.89957	36.9
379.28363	56.5
391.00790	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38834	6.6
55.05511	24.7
57.03440	10.2
57.07089	8.4
67.05497	100.0
69.07087	30.9
71.05014	8.1
79.05508	34.9
81.07050	84.4
91.05476	75.8
93.07048	64.3
95.08617	66.7
101.05896	9.2
105.07026	73.6
107.08631	35.4
109.10193	14.6
117.07053	35.2
119.08574	61.2
121.10130	44.5
129.07050	22.6
131.08601	46.3
133.10132	51.5
135.08032	18.1
135.11749	13.9
145.10188	26.8
147.11716	22.5
149.09624	9.8
157.10217	17.6
159.11824	15.6
161.13309	20.4
171.11707	21.6
181.25598	9.3
185.13371	17.9
187.14920	12.8
203.18060	26.0
245.22607	12.7
259.24292	11.8
269.22617	45.1
287.23621	65.7
379.28082	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2842
Annotation	CHEMBL262560
Peak:m/z	Relative Intensity
52.62074	5.9
53.53367	6.7
55.05501	20.3
57.03426	10.0
57.07063	16.7
60.53647	6.5
67.05496	100.0
69.07063	26.3
71.08600	10.3
79.05492	45.8
79.57783	7.3
81.07053	84.6
83.08614	14.6
85.06527	12.7
85.10155	7.2
87.49075	8.1
91.05468	77.0
93.07041	69.2
95.04990	8.4
95.08608	62.4
105.07018	76.9
107.08597	33.7
109.10157	9.7
113.40097	8.8
117.07017	20.2
119.08587	57.6
121.10119	60.9
121.52188	7.5
123.11606	8.9
129.05449	11.5
129.06961	13.7
131.08542	40.1
133.10139	33.8
135.08028	11.6
135.11722	15.8
143.08585	22.9
145.10139	27.1
147.11710	16.8
147.42365	8.1
149.09608	16.6
149.13315	8.6
159.11716	14.4
161.09621	11.7
161.13257	13.9
163.14807	12.3
171.11728	28.9
175.11211	11.3
185.13251	24.5
189.12874	11.5
189.16391	17.4
200.44583	7.9
203.17966	31.0
259.24332	11.4
269.22607	52.2
287.23630	81.8
379.28323	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13211	5.0
54.07766	5.8
61.21951	6.5
70.66869	5.2
76.96619	5.7
91.71607	9.9
107.03681	6.2
151.20454	6.5
215.35904	6.6
223.04202	7.2
226.04195	8.4
228.05313	7.6
249.05724	18.2
258.18222	7.6
262.05301	21.0
279.07556	13.8
291.06741	10.0
297.08102	17.7
298.07516	21.3
315.08838	39.2
320.10315	18.7
321.08783	38.4
338.10498	100.0
339.10098	29.5
357.10962	89.1
358.10855	8.4
380.12616	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2067
Annotation	MLI-2
Peak:m/z	Relative Intensity
52.38997	0.6
57.07053	1.5
58.62218	0.5
59.09893	0.5
73.66856	0.6
84.97870	0.6
96.24454	0.7
104.00610	0.7
105.07057	0.8
147.08018	1.2
149.09628	3.4
163.11147	1.8
166.75539	0.7
186.73628	0.7
217.12238	5.6
233.15346	100.0
234.15700	1.7
240.30585	0.8
372.37250	0.8
404.13208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44604	8.9
57.07084	27.3
62.35757	10.4
71.08620	19.7
77.41727	11.5
81.07211	10.4
89.06013	76.6
91.71534	16.8
93.52615	13.0
107.07011	11.8
130.08685	21.9
133.08659	43.9
195.12282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44604	8.9
57.07084	27.3
62.35757	10.4
71.08620	19.7
77.41727	11.5
81.07211	10.4
89.06013	76.6
91.71534	16.8
93.52615	13.0
107.07011	11.8
130.08685	21.9
133.08659	43.9
195.12282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16169	4.6
51.91210	5.5
54.84345	5.4
56.36367	5.8
56.96563	31.5
58.82511	5.1
60.04518	6.8
63.37399	4.9
68.25951	5.6
71.15461	5.8
83.86557	5.8
84.45440	5.4
91.05482	18.4
98.97575	7.7
114.61712	6.2
116.98624	7.1
119.04916	34.1
125.63508	6.2
140.00243	10.2
147.04405	100.0
158.01266	9.9
181.02963	7.1
215.23492	7.5
218.11351	6.4
219.55719	6.6
221.01448	7.1
239.02309	13.2
244.02838	10.9
262.03891	20.7
285.05444	18.5
294.79175	7.2
302.03360	20.0
303.06247	8.3
343.06461	7.3
396.32639	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70844	4.6
63.60769	4.4
99.64591	4.7
139.39630	5.3
140.65608	5.9
148.54007	5.6
159.26237	6.7
256.05969	6.4
350.97321	7.6
381.07877	100.0
393.65298	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78785	8.6
59.76265	9.1
63.15881	10.8
66.46248	10.2
69.60674	9.8
75.83292	9.9
107.62856	11.8
129.02623	12.8
130.16495	10.3
135.18253	11.7
191.39015	12.1
333.11707	12.6
381.07727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	5.2
55.01866	8.1
55.05492	21.3
57.03423	9.6
57.07058	23.4
59.86350	4.8
63.94283	5.4
67.05492	100.0
69.07066	29.5
71.04979	13.3
71.08640	8.9
71.20171	5.6
79.05490	45.6
81.07049	99.5
81.41791	5.5
81.49454	5.7
83.08619	16.5
85.06530	14.5
91.05493	37.6
93.07036	57.9
95.08595	72.2
97.06516	9.3
97.10157	13.3
105.07015	24.2
107.08605	37.0
107.39828	8.0
107.99764	6.2
109.06487	6.8
109.10151	28.0
117.07024	11.8
119.08582	22.4
121.10126	54.7
123.11699	22.4
129.05441	13.0
131.06674	5.9
131.08560	27.5
133.10130	16.7
135.08069	6.8
135.11673	31.1
137.13332	6.9
143.29004	7.0
145.10118	29.8
147.11641	17.3
149.09586	8.1
149.13278	10.6
151.56795	6.7
159.11685	21.9
161.13254	9.1
166.32225	6.6
173.13293	25.5
175.14806	11.8
187.14784	15.4
189.16560	7.6
189.93053	7.2
191.17923	13.1
205.19449	9.4
212.05154	6.9
231.79700	6.3
237.58148	6.2
241.26703	7.5
271.24277	61.2
289.25220	50.4
303.01602	6.3
337.91388	7.4
338.17310	7.1
363.28967	12.8
381.30399	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51915	3.2
55.05501	16.4
57.07060	13.0
66.49460	4.1
67.05494	96.5
69.07041	17.1
71.08599	5.1
79.05483	31.3
80.14043	4.2
81.07043	100.0
83.08605	15.2
84.59383	4.7
85.06547	5.7
89.06017	21.2
91.05469	21.8
91.71037	5.9
93.07034	62.1
95.08595	85.8
95.09162	7.6
97.06522	5.0
97.10161	8.8
105.07020	18.7
107.08577	36.3
109.10143	32.8
117.07032	10.0
119.08562	12.0
121.10142	26.0
123.11720	8.9
131.08537	25.1
133.08597	8.9
133.10107	8.7
135.11667	16.7
137.13301	6.6
145.10141	18.5
149.13234	9.0
159.11703	7.7
161.13258	6.9
163.14784	11.7
173.13260	11.2
175.14793	8.4
177.16373	12.1
187.14815	8.5
191.17975	14.4
193.13440	5.0
195.12329	18.5
196.12575	10.9
205.16010	5.4
230.59973	5.5
271.24231	20.4
289.25284	54.3
359.41855	5.4
381.30154	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91107	1.8
51.18671	1.9
57.03415	4.5
57.11536	1.7
69.03426	24.0
71.04958	3.8
71.68954	2.2
81.03410	4.1
81.82515	2.1
99.04429	6.5
131.01297	2.4
140.71852	2.6
146.07074	2.6
147.07874	5.4
147.09132	2.5
151.71208	2.5
160.08688	2.5
161.09479	18.8
162.10249	100.0
174.10269	8.7
186.10229	3.0
198.10196	3.7
200.11765	4.9
204.11249	7.4
212.11633	2.6
216.11211	3.5
230.12843	4.4
260.13962	12.3
278.14890	5.4
296.16046	7.7
320.16110	3.5
338.17065	31.3
382.16016	80.3
400.00369	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	12.7
61.02912	4.2
69.03420	23.5
71.01318	4.5
71.04985	8.1
73.62244	2.6
79.25500	3.2
81.03406	4.8
91.71619	3.6
99.04440	14.2
117.05488	4.6
147.07974	4.5
147.09084	4.3
150.09131	13.0
157.07730	4.1
160.08701	3.2
161.09468	6.5
162.10248	100.0
163.26227	3.3
174.10266	3.2
186.10249	5.2
198.10350	5.6
260.14014	6.9
271.24121	3.8
278.15057	15.3
296.16022	9.6
311.67178	3.6
335.90442	3.8
338.17102	34.9
367.02081	3.5
382.16034	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	7.2
81.03400	6.6
110.97295	3.8
121.37665	4.9
122.21454	3.3
147.07928	9.9
147.09131	5.8
161.09535	8.6
162.10249	100.0
174.10257	13.5
175.11079	10.0
180.56607	3.9
186.10251	6.4
204.11290	23.4
230.13013	4.0
242.02556	4.2
260.13876	6.1
263.09091	3.6
278.15012	12.6
296.16019	9.2
305.89270	4.2
320.16016	10.4
326.56946	4.1
338.17056	43.9
351.80334	4.4
378.40857	4.5
382.16034	69.8
393.90421	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1707
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.07074	2.9
59.04982	3.5
60.60976	1.8
62.51704	2.0
67.05486	2.6
69.03403	5.3
69.07056	3.2
70.02943	4.8
72.04500	8.2
72.88743	2.3
83.04977	2.9
85.02891	10.7
85.06546	6.0
86.09672	3.0
90.05546	78.1
95.04961	4.4
97.02858	3.0
98.02403	8.8
103.07578	4.4
113.06010	2.7
116.03442	11.3
116.76601	2.4
124.07592	10.0
142.08684	5.9
162.29845	2.2
166.08650	3.0
184.09656	14.8
189.60597	2.6
202.10721	21.9
220.11783	100.0
226.24643	3.1
306.43262	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78104	6.0
56.05014	6.3
57.03444	7.3
59.95546	5.8
69.03423	36.9
71.04985	9.6
81.03408	39.0
84.04537	9.6
85.02894	100.0
87.00819	20.3
95.48527	6.6
97.02891	57.6
99.04443	22.8
105.01878	29.4
109.02875	31.4
127.03913	49.1
145.04941	21.7
159.02838	19.0
200.27309	8.0
218.91083	7.8
244.65446	7.9
246.72475	8.2
247.76950	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55380	1.5
53.10996	1.4
65.98656	1.9
66.99570	1.8
69.03416	4.0
70.06569	5.2
70.24419	1.6
71.04983	1.8
72.76112	1.7
84.04535	2.7
85.02895	5.7
86.06047	5.2
97.02901	2.8
116.06971	2.0
121.06442	1.6
130.06526	57.7
132.04424	5.8
134.06082	2.0
143.08150	2.9
157.07607	100.0
158.05971	10.5
171.07533	3.3
175.08632	13.3
184.06050	2.3
185.07112	3.8
185.09827	1.9
203.08142	99.0
204.06665	4.0
213.12328	2.2
221.09244	9.2
383.14114	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	28.1
55.05490	73.3
56.96547	22.5
57.03417	30.5
67.05493	81.0
69.03429	23.2
69.07042	54.0
79.05475	57.5
81.07034	100.0
83.04972	25.6
83.08616	51.8
91.05481	56.9
93.07053	47.2
95.04974	30.9
95.08585	43.4
97.10159	83.3
100.65165	21.3
105.07042	35.6
107.08588	42.7
109.10155	33.7
119.08614	34.8
121.10158	27.1
123.08050	49.4
125.09661	31.9
189.11224	32.4
256.76324	23.7
291.19650	58.0
383.24298	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01378	14.6
55.05502	47.7
56.96539	15.2
61.82035	17.6
67.05489	68.7
69.07057	20.4
79.05488	35.5
80.25088	15.7
81.03403	31.0
81.07034	100.0
83.04979	27.1
83.08595	24.9
88.93185	17.4
91.05466	35.3
91.69878	22.4
91.71277	17.7
93.07053	34.5
95.04969	30.7
95.08581	23.6
97.10190	36.9
102.64060	16.9
105.03055	16.5
105.07018	38.2
106.76424	20.6
107.08582	27.7
108.40171	17.3
109.10150	32.6
111.04457	31.9
116.51658	16.4
116.89318	17.4
123.08060	43.8
125.09636	21.0
138.74089	19.9
139.47426	17.9
291.19479	52.3
311.43506	25.5
325.30884	20.7
383.23996	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12798	24.6
55.05492	98.1
57.03407	36.8
57.96910	22.7
67.05492	69.2
69.07042	33.5
71.28695	22.6
79.05510	32.5
81.07046	100.0
88.34454	29.0
93.07047	38.5
97.10140	33.1
100.11237	74.9
107.04976	39.6
107.08589	43.5
107.39832	26.6
111.04421	42.1
115.75881	32.1
123.32961	31.7
189.11166	36.8
201.92731	38.3
238.27374	32.2
291.19385	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43126	11.8
55.05502	23.0
57.07059	33.8
67.05487	37.7
69.82529	12.6
73.41013	11.0
75.62058	12.2
79.05480	29.2
81.07048	42.4
87.88604	11.6
91.05473	34.4
93.07024	100.0
95.04946	30.2
95.08605	47.5
95.10173	11.9
97.91329	10.6
105.07041	65.9
107.08601	35.5
109.06525	15.3
109.10149	20.7
119.08559	44.6
121.06505	18.0
121.10138	33.1
123.08047	25.3
129.06956	14.2
133.10091	25.4
142.07751	16.4
143.08501	29.4
145.10120	26.2
147.11674	17.5
149.09654	21.4
151.07547	21.7
157.10182	19.7
161.09639	18.7
165.09050	31.8
173.12810	11.9
175.11160	15.5
175.14828	18.0
185.13219	14.3
194.05324	12.0
195.12453	12.3
203.14476	18.7
208.89566	13.2
221.15405	41.5
382.26135	17.9
383.25818	43.3
405.03259	17.0
405.08063	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
54.24279	6.0
55.05488	28.0
57.07059	19.1
59.04989	10.3
66.92371	7.0
67.05489	35.2
69.03419	15.2
69.07047	9.7
69.51388	8.2
74.89587	7.3
79.05473	27.2
79.92800	6.5
81.07049	71.7
83.08595	10.6
86.35136	6.6
91.05474	63.3
93.07034	100.0
95.04964	34.6
95.08601	46.3
97.06558	15.5
103.05505	8.5
105.07021	92.8
107.08581	50.0
109.06512	38.7
109.10155	22.6
111.08022	10.6
115.05412	8.8
117.07030	16.2
119.08578	52.9
121.06517	21.7
121.10139	36.0
123.08070	38.8
128.06277	15.6
129.07024	18.6
130.07808	12.7
131.08559	36.8
133.10159	50.3
135.08064	25.5
135.11743	11.4
137.09628	22.4
142.07791	31.5
143.08572	30.9
145.10150	51.8
147.08047	29.6
147.11690	11.4
149.09657	24.3
151.07538	34.7
155.08598	9.1
156.09314	11.1
157.10168	31.3
159.08015	12.6
159.11710	14.5
161.09628	18.3
165.09151	38.9
169.10141	9.4
171.11635	14.4
175.11215	20.2
177.09103	13.5
185.13268	25.8
187.14790	11.8
189.12863	13.1
203.14363	29.0
207.13707	9.5
220.67812	8.8
221.15297	83.9
267.31876	8.9
355.30106	11.7
365.25262	11.9
383.25732	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28354	4.2
54.99097	4.9
55.05495	15.2
57.03399	5.3
57.07053	11.1
57.51807	5.5
59.04994	6.9
61.20766	5.3
62.90899	5.3
67.05503	39.0
69.03410	13.7
69.07055	11.1
71.04980	7.8
79.05472	28.2
80.65810	5.9
80.82207	6.3
81.07032	27.4
83.04970	15.0
85.06542	9.4
91.05465	56.2
93.07037	100.0
95.04938	35.5
95.08602	42.4
97.06532	11.9
105.07030	87.1
107.08582	46.0
109.06506	25.1
109.10155	28.1
111.08067	9.0
117.07067	9.3
119.08585	51.1
121.06454	9.4
121.10158	34.1
123.08035	40.6
128.06171	15.1
129.07028	18.9
131.08554	19.8
133.06514	6.5
133.10138	29.3
135.08044	27.8
137.09595	14.3
137.37596	6.6
142.07802	22.7
143.08559	33.0
145.10110	41.7
147.08037	27.1
149.09601	25.2
151.07530	29.6
156.09364	11.2
157.10124	41.7
159.11696	16.8
161.09596	27.8
161.13167	7.9
165.09090	38.4
171.11646	15.2
173.09590	8.3
175.11169	8.7
175.14793	11.5
185.13231	10.7
187.11232	8.9
189.12741	9.3
203.14291	27.7
207.13609	8.3
209.15379	6.7
215.14214	9.1
221.15273	63.6
234.16043	8.9
273.21155	9.1
302.69714	8.2
383.25751	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.8
56.08636	7.0
57.03355	6.1
57.07063	8.6
59.04984	8.7
59.37085	6.3
60.01837	6.0
63.44573	6.2
67.05498	35.0
69.03416	12.7
69.07036	12.1
73.42918	5.9
74.09201	6.1
79.05480	28.4
81.07050	34.0
91.05461	56.1
91.71581	9.2
93.07038	100.0
95.04967	36.6
95.08598	46.4
97.06533	8.9
103.06236	6.5
105.07032	80.7
107.08611	43.0
109.06519	26.6
109.10147	23.5
111.08098	12.8
111.38239	7.3
117.06982	6.7
119.08562	70.1
121.06506	20.8
121.10138	50.2
123.08066	27.8
128.06267	11.4
129.06985	12.3
130.07851	10.8
131.08565	27.3
133.06461	8.5
133.10153	23.4
135.08044	22.4
137.09663	13.5
142.07777	18.7
142.18416	8.4
143.08600	23.7
145.10101	40.5
147.08081	22.2
147.11775	8.2
149.09628	19.5
151.07561	31.7
156.09322	10.1
157.10110	44.7
159.08063	9.2
159.11612	9.0
161.09627	18.6
161.13286	10.7
165.09087	52.3
170.10857	7.8
175.11165	11.8
175.14870	14.3
185.13283	16.9
186.37624	7.9
203.14368	15.5
207.13712	13.6
221.15358	82.4
283.73959	8.9
305.57941	7.8
347.23514	9.3
383.25876	49.3
409.55807	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69608	6.8
51.60035	7.7
52.46923	8.6
55.05502	21.5
57.07073	13.0
59.04987	13.3
67.05500	42.0
69.03423	11.9
69.07043	10.2
75.03058	8.3
78.64052	9.4
79.05502	25.1
81.07054	35.4
81.50150	9.1
91.05495	42.6
93.07026	100.0
94.92912	9.6
95.04979	39.9
95.08622	35.7
97.06526	11.2
103.25899	9.7
103.70944	10.0
104.31989	8.6
105.07037	55.3
107.08590	38.4
109.06514	23.1
109.10189	16.9
119.08598	44.4
121.10155	39.4
123.08060	19.2
123.62263	9.4
128.06261	13.0
131.08595	15.8
133.10146	23.3
135.11787	11.1
143.08614	19.0
145.10147	25.7
147.08104	10.6
149.09589	12.6
151.07602	35.3
153.15863	11.1
157.10143	30.3
161.09714	10.1
163.11200	10.8
165.09129	18.2
175.11189	13.5
184.07356	11.6
203.14378	26.8
207.13828	13.3
220.66084	13.5
221.15430	39.7
237.76613	10.9
270.26096	11.1
278.74680	9.9
304.86673	10.9
326.03009	11.6
331.03445	11.9
383.25922	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	24.0
60.41261	14.2
64.27358	12.1
67.05499	55.4
68.98243	11.5
69.03427	17.6
69.07038	13.6
79.05484	20.5
81.07047	51.6
85.06605	15.8
86.09680	17.6
91.05462	46.4
93.07029	86.2
95.04942	25.5
95.08610	42.3
105.07021	100.0
107.08606	36.7
109.06527	33.5
109.10178	17.1
119.08604	63.5
121.08868	14.4
121.10153	47.0
123.08048	24.7
129.06993	16.9
131.08554	25.0
133.10176	20.2
135.08089	32.0
138.45789	14.4
142.07841	13.7
143.08534	16.2
145.10162	35.0
147.08090	23.1
147.11751	17.2
149.09637	17.2
151.07555	25.1
153.20831	12.9
157.10124	29.5
158.89224	17.0
165.09100	23.7
171.11557	17.4
175.11189	17.1
185.13185	22.7
187.42531	14.5
203.14311	29.5
210.19310	13.6
221.15395	54.8
237.95020	16.3
383.25604	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13412	3.9
53.74426	5.0
57.07066	100.0
60.09452	5.0
67.05479	12.1
71.32058	6.3
71.88799	5.2
73.99734	4.7
79.05482	6.0
81.07075	6.8
89.06036	46.2
89.92901	6.3
91.05488	23.0
91.71637	5.7
93.07030	39.8
95.04953	26.2
103.05492	6.3
105.07038	21.2
107.08598	11.3
109.06503	7.4
119.08569	14.4
121.06490	86.8
121.07317	7.3
121.10144	10.9
130.08632	9.0
131.08565	7.9
133.08624	19.4
141.77000	6.7
142.42603	5.3
145.10191	6.3
149.09650	6.1
151.07487	8.2
157.10094	9.2
165.09091	41.6
203.14357	5.7
221.15367	19.6
239.81306	6.1
251.05807	6.2
271.15369	64.5
328.06912	6.5
391.57166	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	9.6
57.07063	6.0
67.05502	16.9
69.07056	15.4
71.08609	9.8
76.76145	6.1
79.05486	5.6
81.07052	37.0
91.85114	6.0
93.07040	12.1
95.04929	7.5
95.08604	12.2
96.33988	5.4
99.07170	6.0
105.06979	5.9
107.08605	10.7
109.06491	45.3
162.93794	7.6
165.12770	51.2
235.16879	9.8
291.23151	100.0
304.38095	6.8
340.79797	7.6
342.63535	6.9
383.28009	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.0
59.29504	5.6
59.87761	6.7
61.35532	6.8
69.03419	45.3
70.06582	14.7
71.04989	7.4
81.03397	28.7
82.91058	7.7
83.31110	6.5
85.02891	100.0
87.00827	20.1
87.52467	6.3
95.49261	7.3
97.02903	43.1
99.04451	18.5
105.01847	66.5
109.02887	27.1
111.12669	6.4
127.03922	61.1
145.04968	22.3
159.02945	10.6
171.70039	8.0
216.40327	8.0
231.05046	14.4
278.82205	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40709	5.6
57.03428	12.6
57.07068	38.1
58.31099	6.7
67.05487	11.6
71.08616	13.5
81.07061	12.9
83.08572	6.2
87.43856	6.2
91.71072	8.8
95.08611	21.8
101.30292	7.8
124.49129	7.1
133.10081	8.5
143.64165	6.9
163.64162	7.7
203.57262	7.7
243.19543	100.0
262.51022	10.8
308.53854	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1287
Annotation	S-Adenosyl-L-homocysteine
Peak:m/z	Relative Intensity
58.14571	1.1
62.13987	1.1
62.99909	1.0
70.06589	6.5
71.32533	1.3
85.02892	2.0
86.06089	1.8
86.09705	1.5
88.02208	62.0
88.19241	1.2
97.02886	2.5
99.04490	2.4
110.07164	1.5
114.05563	1.4
121.06534	6.1
134.02715	70.8
136.06184	100.0
153.24098	1.4
160.06253	1.5
211.23340	1.7
240.58989	1.5
250.07520	6.0
319.86795	1.6
335.75760	1.6
379.99435	1.8
385.12842	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64077	1.7
56.92919	2.2
56.96558	28.3
56.96774	2.6
58.06617	2.5
60.08160	100.0
60.09704	1.9
66.58430	1.9
70.06607	8.6
78.38017	2.4
84.04539	4.1
86.09718	4.1
91.05497	2.7
98.97562	12.6
116.98615	14.0
119.04945	3.2
134.99728	11.8
140.00165	16.1
147.04445	6.1
158.01241	14.1
159.51688	2.7
170.05026	3.3
181.02817	13.0
188.05974	5.3
194.04984	3.8
211.07631	3.4
225.09187	9.8
241.22797	13.3
256.12354	4.1
279.13889	5.7
302.70483	2.8
348.15897	5.2
385.20056	35.6
403.21255	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2373
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
55.05516	22.4
56.15481	22.5
56.32285	19.1
56.47391	18.5
61.09599	24.8
63.59037	21.1
67.05512	62.0
68.64077	23.3
70.27410	21.0
79.05482	29.7
81.07063	56.2
83.08637	31.7
88.48226	27.6
91.05497	73.4
93.07046	32.2
93.51684	26.1
95.08622	38.5
105.07025	33.8
117.07041	55.0
119.08620	54.2
125.03622	24.7
129.07057	35.8
131.08615	49.4
141.07088	27.8
143.08582	66.8
157.10190	32.6
171.11681	26.9
173.42699	28.6
181.10187	37.3
303.15643	29.1
385.23920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	91.4
57.03430	27.6
67.05485	100.0
69.07051	25.9
69.46027	22.8
71.08625	35.3
74.59555	24.5
76.71069	21.2
78.24033	20.6
79.05495	37.7
81.03383	29.0
81.07041	57.1
83.04937	27.5
83.08640	24.7
91.68172	23.8
91.71027	34.1
93.07037	49.8
95.04947	61.9
95.08577	29.3
97.10176	44.3
105.08102	23.8
120.97563	25.6
123.65192	26.5
177.92154	28.5
189.11287	33.2
223.13333	33.0
266.81970	30.7
293.21112	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	15.7
55.05504	58.8
55.05713	7.2
57.71094	9.7
66.78629	8.7
67.05496	36.1
69.07048	22.9
79.05482	34.6
81.03420	15.7
81.07051	42.8
83.04974	18.9
83.08613	31.0
91.05473	27.8
93.07053	36.2
95.04949	100.0
95.08601	27.2
97.06548	11.5
97.10162	14.9
100.36722	9.6
103.31902	10.2
105.07034	33.6
107.04967	11.8
107.08598	41.7
111.04486	18.9
114.30486	11.0
117.07050	11.4
119.08581	32.3
121.10150	21.7
125.09645	35.8
135.11714	14.3
145.10181	20.3
149.09631	29.2
151.68874	9.5
163.11208	30.5
189.11223	17.0
217.98199	10.5
223.13315	54.1
275.19907	60.1
293.21194	45.1
339.16119	10.5
367.24686	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15007	6.5
65.16901	5.7
65.19077	5.9
73.77256	6.1
79.05495	6.4
153.68227	7.3
161.59682	6.8
302.88434	8.2
346.60443	7.5
367.50110	7.5
385.29294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53565	1.3
57.87247	1.3
65.26286	1.4
66.19906	1.3
69.03423	4.6
70.06570	7.2
70.78963	1.4
81.03405	4.5
85.02895	8.4
87.00784	2.8
91.05465	6.1
93.07031	6.5
95.04961	2.1
97.02928	1.9
99.04485	1.6
103.05453	4.8
108.45884	1.7
109.02876	3.0
121.06498	100.0
121.67569	1.4
127.03900	4.5
138.09135	10.6
212.25636	1.8
247.53265	1.6
341.23788	1.7
386.14450	8.2
397.09705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12800	7.7
55.05502	13.2
66.82967	8.9
67.05491	25.4
79.05479	8.7
81.07040	38.8
84.04030	8.4
84.04486	68.4
85.06515	8.5
91.05489	9.4
93.07046	14.8
95.08595	64.1
97.06513	12.5
102.05527	40.7
105.07013	17.2
107.08574	14.3
109.10158	10.6
119.08588	24.1
120.21111	8.3
121.10186	13.9
123.08071	31.9
125.05965	56.9
125.09682	14.4
130.04997	18.0
133.10092	24.8
135.11668	14.2
147.11681	14.9
148.06024	38.4
175.14815	47.1
185.13316	20.3
193.15845	44.1
200.26819	9.5
203.14331	21.1
221.15369	100.0
239.16464	17.4
368.20792	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.071
Annotation	Stictic acid
Peak:m/z	Relative Intensity
53.85279	1.7
56.50739	1.7
67.09887	2.6
74.16236	1.9
81.01394	1.9
98.97606	6.8
107.18975	2.1
109.79082	2.1
122.34537	2.4
129.79782	2.5
131.00139	2.6
140.00238	3.6
163.29507	2.3
214.03896	3.4
229.04877	4.3
251.84785	2.4
257.04489	11.6
258.05206	49.0
272.32477	2.9
286.01544	5.5
286.04691	90.0
287.05408	5.7
372.15009	2.6
387.07074	100.0
388.07672	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17485	6.8
57.03434	7.0
62.87071	6.8
69.03420	27.6
70.06579	26.8
72.08140	12.6
77.84794	7.6
81.03422	16.9
83.14924	8.8
85.02891	35.7
86.09693	14.9
86.40310	8.2
87.00825	15.9
97.02882	27.9
105.01856	24.0
109.02923	9.8
120.63118	9.6
121.02856	100.0
127.03903	18.1
199.17029	8.5
202.98857	10.7
313.71304	9.6
364.94849	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66167	5.2
50.78078	4.0
55.01866	6.4
56.83062	4.3
57.03424	6.3
58.89524	4.2
60.31012	4.4
61.04045	26.3
66.67566	5.4
69.03422	51.8
70.06570	16.8
71.04974	6.5
72.08132	8.2
73.02913	12.3
81.03424	26.3
84.04527	5.0
85.02898	100.0
86.09698	16.9
87.00822	27.3
87.75800	5.2
92.45947	6.5
97.02890	34.8
99.04451	8.5
100.99081	5.0
103.03959	9.4
105.01867	43.0
105.02462	6.9
109.02870	19.8
117.06953	7.1
121.06505	25.0
127.03915	30.8
145.04990	14.9
145.06448	13.9
147.04414	15.1
155.08546	6.4
159.08052	10.0
160.54515	5.4
163.07570	8.7
168.06743	5.8
187.07524	20.0
189.04010	17.9
229.08568	11.6
247.09686	7.0
335.70276	6.3
374.74283	5.8
387.12683	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45455	0.9
53.00310	1.1
53.03944	1.4
55.05499	4.9
55.05735	1.0
55.75795	1.0
57.06796	1.9
57.07072	31.0
58.67999	1.7
71.04991	26.3
83.04978	30.0
91.05479	2.5
91.70908	1.7
95.04959	9.5
98.29648	0.9
98.98494	1.1
101.06025	7.8
105.04477	1.5
118.06579	1.9
123.85661	1.3
129.06989	2.0
138.19130	1.1
147.08078	2.6
147.11685	3.6
175.01561	100.0
176.01868	1.0
179.23616	1.1
181.02675	1.4
182.86815	1.1
193.02692	1.4
205.71606	1.1
216.04224	10.3
222.45644	1.2
227.04727	3.7
231.07820	4.4
275.06790	9.5
281.39560	1.2
323.46451	1.2
330.89075	1.1
331.13040	83.0
332.13394	2.3
337.27866	1.2
348.15753	2.8
387.19305	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24731	15.7
52.80016	23.1
55.85544	16.2
61.29824	21.0
69.70312	19.9
79.86440	17.8
81.07038	36.8
106.46376	21.6
134.56274	20.5
154.06201	30.2
155.19472	21.5
157.65636	21.5
197.08092	100.0
225.87180	24.2
297.61673	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2604
Annotation	Circinamide
Peak:m/z	Relative Intensity
54.48611	1.9
56.96564	2.2
70.06577	9.7
72.08139	10.2
75.69077	2.4
84.04488	3.5
84.08136	61.4
86.06081	3.7
86.09698	100.0
87.00268	2.1
129.10226	19.4
129.85873	2.6
133.61095	2.3
136.07610	3.0
144.10219	34.3
161.12849	29.1
215.54823	2.4
274.21219	6.7
387.26004	36.4
412.66522	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00198	1.8
64.22854	1.9
70.06588	6.6
72.08138	4.4
82.10854	2.3
84.04517	4.3
84.08133	54.4
85.02878	2.7
86.06059	3.1
86.09174	4.8
86.09700	100.0
89.69304	2.1
90.81945	2.1
91.71339	11.8
129.10252	17.5
136.07570	2.7
136.85732	2.2
138.02284	2.5
138.09068	3.4
142.14938	2.1
144.10187	30.7
155.17400	2.8
161.12842	25.1
206.12199	2.6
212.43365	2.4
241.20218	2.5
242.18684	2.7
261.08762	3.5
274.21384	7.6
284.65314	2.6
387.25946	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85787	3.3
53.03929	9.1
55.01859	13.0
56.44733	3.6
57.03426	7.3
57.04678	3.7
61.02907	5.9
63.24693	3.7
68.99773	5.0
69.03415	43.5
70.06568	4.9
71.04985	5.0
73.02917	10.0
81.03413	45.7
85.02894	100.0
85.03374	8.2
86.09675	6.0
87.00831	32.1
88.78871	5.3
89.78912	4.0
91.71684	5.0
97.02888	71.9
99.04453	18.2
105.01846	48.1
108.04443	10.5
109.02887	32.2
117.01850	6.5
127.03912	81.6
145.04962	38.7
153.91353	5.2
159.02904	23.5
226.16452	4.6
231.05019	10.1
282.04141	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30245	1.0
52.99799	1.2
53.00305	1.7
53.03934	2.8
53.48669	1.3
55.01852	2.6
57.03417	6.4
59.04984	1.5
61.02919	1.2
64.60712	1.4
69.03419	55.6
70.06574	2.8
71.01340	2.3
71.04983	9.7
73.02888	2.0
81.03407	35.8
83.01341	2.4
84.04431	1.4
85.02897	56.6
86.09677	2.5
87.00813	19.5
87.04438	3.5
87.69714	1.7
95.18166	1.8
97.02882	83.2
99.04445	28.9
101.02348	2.2
105.01855	21.4
105.07029	8.8
109.02872	13.7
127.03913	100.0
131.76701	1.5
145.04953	47.4
168.06485	3.1
169.08424	1.5
213.03912	3.5
231.04984	45.1
249.06067	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01859	8.4
57.03422	5.0
61.02916	4.6
64.24023	1.7
69.03417	32.1
70.06577	1.8
71.04974	5.2
73.02903	7.0
81.03402	21.7
85.02898	100.0
87.00819	28.2
91.71044	2.2
97.02888	28.4
99.04446	12.9
105.01863	64.2
105.07021	11.2
108.04488	4.3
109.02872	29.5
110.46502	1.8
117.01846	4.6
127.03909	59.6
127.04802	3.7
129.01854	3.1
132.82416	2.3
145.04926	21.0
149.55042	2.3
159.02859	13.1
189.04060	3.3
213.03860	3.1
231.04999	20.2
248.07465	2.6
249.06078	6.0
276.51294	2.1
303.44543	2.3
310.20572	1.9
413.66895	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30245	1.0
52.99799	1.2
53.00305	1.7
53.03934	2.8
53.48669	1.3
55.01852	2.6
57.03417	6.4
59.04984	1.5
61.02919	1.2
64.60712	1.4
69.03419	55.6
70.06574	2.8
71.01340	2.3
71.04983	9.7
73.02888	2.0
81.03407	35.8
83.01341	2.4
84.04431	1.4
85.02897	56.6
86.09677	2.5
87.00813	19.5
87.04438	3.5
87.69714	1.7
95.18166	1.8
97.02882	83.2
99.04445	28.9
101.02348	2.2
105.01855	21.4
105.07029	8.8
109.02872	13.7
127.03913	100.0
131.76701	1.5
145.04953	47.4
168.06485	3.1
169.08424	1.5
213.03912	3.5
231.04984	45.1
249.06067	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98694	3.2
55.05504	24.6
55.08427	2.8
56.05025	5.7
67.05499	4.9
68.07047	2.9
69.07058	37.5
75.38091	2.7
77.60766	3.3
78.60014	2.9
79.05461	3.3
81.07051	20.3
83.08607	23.1
84.04490	100.0
86.09728	3.8
93.07041	7.4
95.08608	22.0
97.06540	7.1
97.10186	21.1
102.05531	45.9
107.08585	19.1
109.10121	10.5
111.08086	12.6
111.11716	7.0
113.37685	4.0
121.10133	11.4
123.11669	4.0
125.09624	5.8
130.04967	21.9
135.11699	3.9
148.06029	17.8
177.16364	22.3
187.09029	3.4
194.18968	16.1
195.17448	35.3
213.18440	20.8
223.16962	5.2
228.45627	3.3
240.19629	15.2
259.18976	8.9
324.21680	6.2
370.22296	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	9.1
63.66682	2.0
64.13208	2.0
71.08617	4.4
72.08186	2.2
78.81765	2.4
85.10161	2.3
92.46491	2.6
95.51783	2.6
105.07022	100.0
122.09664	29.6
146.09674	4.8
162.20241	2.5
214.31886	2.9
260.13879	4.0
273.46359	2.6
330.21771	3.2
378.92493	3.5
388.35617	37.9
407.98114	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51273	2.3
65.57455	1.5
72.08147	100.0
74.00332	2.2
81.07004	2.3
97.06530	5.5
107.04939	18.7
121.06518	10.5
136.07578	9.6
138.10286	7.8
141.77205	3.4
148.07547	2.6
153.08907	3.3
154.09793	7.7
204.13857	13.2
232.14485	4.6
260.13898	30.3
302.22192	31.5
330.21713	93.3
330.25659	5.1
389.29089	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.0
57.03419	5.9
61.02918	4.5
69.03428	32.1
69.86143	3.1
73.02904	5.7
81.03405	21.8
84.04492	56.2
85.02894	72.7
86.06065	6.3
86.09695	100.0
87.00815	20.4
90.26038	3.7
97.02895	30.4
99.04444	9.7
102.05525	5.3
105.01849	28.5
109.02850	18.1
114.16595	4.4
115.43840	3.2
127.03909	46.9
128.04172	4.0
130.05017	10.6
131.28798	3.9
132.10199	41.6
142.05008	5.4
145.04941	31.4
147.02820	4.6
149.05972	9.8
159.02931	13.5
198.11287	15.4
244.11722	6.5
261.14404	28.6
268.12915	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
53.87890	3.8
54.43666	3.5
55.01861	13.5
57.03414	8.3
58.39687	4.2
61.02921	4.2
68.99777	4.5
69.03417	41.0
69.07047	4.3
71.04974	6.9
72.08147	4.5
73.02895	5.3
81.03417	24.7
84.04495	28.7
85.02892	100.0
86.09692	53.2
87.00805	24.9
97.02872	36.8
99.04434	12.6
105.01852	35.2
108.04470	10.2
109.02872	31.1
127.03897	60.9
130.04994	11.0
132.10207	20.0
145.04938	39.4
149.06013	6.5
159.02846	15.7
198.11252	7.8
231.05016	11.4
241.97546	5.7
244.11734	6.1
249.59967	5.1
261.14487	11.3
332.17749	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01842	3.0
56.05019	11.3
56.30164	1.8
56.51539	1.6
69.03425	10.8
72.08164	2.7
72.89214	1.7
73.02908	2.9
74.06068	30.3
76.32697	2.1
81.03407	10.0
84.04489	4.7
85.02893	26.6
86.09699	100.0
87.00829	4.9
91.05483	4.6
97.02885	9.7
97.06599	2.0
99.04451	4.1
102.05537	2.1
105.01850	7.3
109.02866	10.0
116.07057	14.4
126.05518	6.7
127.03897	17.1
134.08121	21.2
144.06543	7.3
145.04947	8.5
147.08066	5.7
159.02853	4.0
164.07166	2.2
165.09204	2.5
229.15431	5.0
231.04868	2.6
239.13916	10.7
247.16623	5.4
262.49429	2.8
372.21503	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1868
Annotation	Glu-Glu-Ile
Peak:m/z	Relative Intensity
52.47356	1.8
53.03880	1.7
60.33297	1.7
71.15569	1.7
79.75793	2.1
80.49839	1.6
84.04492	55.1
86.06071	6.0
86.09695	100.0
95.42980	2.2
97.05961	2.3
102.05548	4.3
114.05534	4.3
122.06013	3.9
130.05026	13.8
132.10201	47.0
142.05013	7.5
152.10675	3.6
169.08658	3.3
197.25423	2.1
198.11230	13.5
202.54367	2.3
233.66090	2.5
244.11848	9.7
261.14441	41.0
341.12567	2.4
390.18829	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62195	9.3
60.04523	100.0
61.69941	8.7
67.01878	9.9
68.05024	21.7
69.03431	17.0
69.07047	37.5
72.04517	19.6
80.05000	17.7
80.56135	10.7
81.03426	14.0
83.13741	10.6
84.04490	27.8
90.50159	11.9
91.71680	24.1
96.04490	49.2
97.02908	24.5
98.06021	15.8
112.03952	30.9
112.28233	12.1
113.02355	22.8
114.05524	84.0
124.03963	23.2
125.02313	19.8
132.06558	24.7
142.05019	76.1
150.80876	14.2
156.06636	29.2
159.82967	13.1
160.06075	25.5
178.07118	28.8
202.07076	73.3
220.08197	43.0
225.44313	13.1
258.13800	14.5
262.09030	21.6
314.82880	14.3
390.20901	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.0
54.05802	2.4
55.96367	1.9
56.05017	10.0
60.04508	3.0
60.61654	1.9
68.24979	2.1
69.03417	8.8
70.06583	3.4
74.06069	30.4
81.03403	7.2
84.04479	5.5
84.15668	2.6
85.02903	19.8
86.09699	100.0
87.00802	2.7
91.05483	4.0
97.02884	7.2
97.10186	2.4
99.04464	2.6
105.01849	2.8
109.02878	5.9
116.07093	11.8
126.05516	4.7
127.03915	15.4
129.07063	3.7
131.08562	3.2
134.08128	21.0
138.09117	4.3
144.06578	7.9
145.04967	7.0
147.07973	6.2
159.02827	5.2
164.07053	3.6
184.16365	2.3
229.15439	5.9
239.13863	9.3
244.35802	2.5
247.16565	6.6
340.06989	2.6
372.21091	5.1
378.01416	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	4.1
88.13364	3.1
91.05469	100.0
91.71001	8.0
91.81016	3.2
112.87000	3.7
173.13229	17.4
213.18462	4.2
287.23953	3.7
297.25644	5.0
373.15674	5.2
390.27917	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21038	13.3
54.18753	11.1
55.05497	27.1
55.19230	12.5
59.11460	13.4
60.32228	13.4
60.95097	15.7
68.17853	14.4
71.08609	40.7
72.08146	21.9
76.70097	13.5
83.93468	16.5
86.82206	15.0
100.11249	100.0
118.06857	14.2
203.96225	17.1
239.98830	16.8
291.23010	20.0
294.82956	18.3
331.22241	16.3
390.33560	68.1
413.31143	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83289	2.2
57.07053	9.7
58.06567	3.6
65.41270	2.3
67.05493	3.1
67.62189	2.3
70.06577	32.9
71.08597	2.9
72.08128	4.7
83.01964	2.3
86.09675	5.7
88.07625	8.9
91.05461	3.3
93.61228	2.6
102.09148	3.9
112.90568	2.3
132.10228	12.9
146.11745	11.4
149.02353	5.8
284.29553	12.6
328.32043	41.3
390.35742	100.0
390.47543	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93769	1.3
57.07056	3.2
58.31977	1.5
65.03920	7.2
67.05492	1.7
71.08616	3.2
78.73832	1.5
83.04984	1.9
84.04512	2.6
91.05470	17.9
95.04952	3.2
111.88287	1.6
116.07152	1.6
119.04937	31.7
120.08138	2.0
121.02832	4.0
143.92839	1.7
147.04405	100.0
149.02321	18.7
179.76678	1.9
228.66841	2.0
400.67990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79115	2.2
59.58626	2.3
62.24902	2.7
70.02933	4.4
71.83801	2.6
74.02431	12.9
76.23785	2.6
78.50544	2.5
78.94095	2.3
82.06572	2.7
84.04012	5.1
84.04495	72.4
85.02886	3.8
87.05585	52.2
88.03991	11.2
96.65514	2.4
102.05553	6.6
102.54800	2.4
116.03452	7.0
130.05009	20.0
133.05075	5.9
133.06085	100.0
136.03990	3.3
145.32545	2.6
149.02341	4.9
154.04936	4.8
168.06520	4.8
171.15701	3.0
182.04538	8.6
195.07652	3.5
196.06320	4.9
199.07147	7.5
213.08806	3.0
245.07712	7.9
262.10379	21.3
310.43375	3.1
391.14600	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44845	4.9
55.01853	6.6
55.05239	5.9
57.03423	9.1
63.38308	5.3
64.83429	5.2
65.09849	5.2
67.05491	27.1
69.03426	64.1
70.06587	11.6
71.04976	9.1
72.08165	7.6
79.05492	49.0
80.83025	5.9
81.03398	26.6
81.07040	24.9
83.04975	23.1
84.04490	18.5
84.08104	6.8
85.02895	100.0
87.00832	33.3
87.01275	5.9
90.88291	6.8
91.05470	20.1
91.71578	8.8
93.07076	6.2
97.02893	35.9
99.04461	14.1
105.01845	63.4
105.07038	13.4
107.08566	32.4
109.02877	13.7
109.10169	16.1
110.07179	6.4
112.64983	6.7
120.08089	9.5
127.03922	50.3
138.09117	8.5
145.04997	21.7
149.02342	47.0
164.06985	7.8
177.20819	8.4
180.39615	7.6
190.04988	9.3
231.05060	10.3
233.11743	7.4
301.39728	7.0
309.21347	10.6
383.83807	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27891	3.2
50.42604	3.6
53.18348	3.6
53.58892	3.7
79.30553	3.8
79.49466	5.1
149.02364	28.8
158.25862	5.4
210.48805	4.9
391.24512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	23.0
71.08616	24.7
87.85644	10.6
91.47845	10.5
102.65063	10.6
111.96918	11.7
113.09481	11.4
117.01698	12.3
131.38493	10.9
149.02333	100.0
317.89273	13.2
335.64618	16.8
391.24460	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	15.4
61.34340	8.0
69.07076	11.2
71.08601	15.3
143.27000	10.9
149.02344	100.0
204.04100	10.6
236.28732	10.8
253.96747	12.4
265.39423	12.2
317.09845	12.9
391.24472	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67851	2.0
54.78546	2.1
58.88493	1.7
61.01149	5.1
62.38037	1.9
66.64986	1.9
69.03446	3.0
72.08147	100.0
82.64613	2.4
84.04531	6.6
84.08161	6.2
86.09717	7.5
87.02698	3.0
89.04276	4.2
101.10870	2.5
105.07074	7.2
115.02212	7.9
117.03723	13.0
120.08176	7.8
121.22620	2.3
126.37540	2.5
130.06584	6.7
132.08134	9.8
132.10208	2.7
138.10297	5.6
143.32722	2.6
153.09004	3.5
158.09712	3.2
167.10550	18.1
190.24431	2.9
206.10065	6.1
213.78761	2.4
216.15108	9.6
244.14616	2.7
262.14709	4.1
304.18491	10.9
316.02789	2.8
332.17889	80.2
391.25308	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04711	6.3
51.14808	7.4
55.05511	20.7
56.96576	23.6
57.07080	18.4
61.02935	10.0
63.85176	6.9
67.05504	44.6
69.03432	19.6
69.07077	31.7
71.44691	7.6
72.57844	8.7
73.02957	11.5
79.05510	35.9
81.03410	9.9
81.07050	66.4
83.08651	11.1
85.02906	11.7
91.05473	69.4
93.07043	58.5
95.04980	76.0
95.05500	10.0
95.08591	48.0
97.02920	17.7
97.06533	10.5
101.57102	7.4
103.05453	8.0
105.07022	100.0
105.07677	8.1
107.08633	31.5
109.06565	13.1
109.10204	14.0
116.98695	7.0
117.07076	27.7
119.08578	62.6
121.06535	10.8
121.10158	27.3
123.08082	10.7
127.73478	9.2
129.07022	20.8
131.08630	37.3
133.10181	24.3
135.11778	10.0
140.00244	14.4
141.07040	10.6
142.07819	16.9
143.08638	34.3
145.10132	53.5
147.08054	8.6
147.11662	11.6
149.01329	17.5
149.02399	46.0
149.18095	8.2
155.08626	24.9
156.09506	10.9
157.10152	47.6
159.11745	20.7
161.09660	9.2
165.07123	11.0
167.08574	18.0
168.09413	12.1
169.10188	26.2
169.93440	9.6
171.11797	17.1
172.02905	27.3
173.13335	13.4
179.08594	16.2
181.10213	23.0
182.10892	10.2
183.11755	25.1
185.09801	9.9
185.13403	11.9
190.03857	10.8
193.10162	16.6
195.11798	21.6
199.15015	10.0
203.14284	10.7
207.11723	20.8
208.12518	14.4
209.13315	16.5
221.13339	16.5
223.14964	11.5
245.13219	10.6
249.16499	16.3
297.18497	11.8
304.47305	9.4
322.58167	8.6
343.19302	10.7
371.17264	11.6
373.25192	16.8
391.26190	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06596	8.1
55.05487	13.5
57.07064	20.3
65.89989	9.9
67.05482	27.4
69.07047	13.4
70.68829	8.6
70.74586	8.3
71.08619	13.9
79.05494	13.1
81.07043	46.2
91.05463	41.1
91.71729	21.9
93.07027	31.3
94.43797	9.6
94.92390	9.5
95.04957	48.5
97.06568	12.2
105.07023	42.1
107.08587	23.1
112.73827	10.3
119.08608	36.6
121.06473	10.2
121.10186	23.1
123.08122	13.3
128.06215	12.1
129.76697	10.0
131.08545	14.4
133.10126	18.3
138.15663	11.1
142.07771	15.3
143.08508	11.0
145.10097	23.1
149.02325	79.4
157.10153	26.0
161.09677	11.0
165.06992	13.5
169.10184	18.0
171.11761	21.0
181.10048	14.5
183.11742	19.0
313.02341	11.7
391.25153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
56.05038	2.7
57.07046	3.2
58.06308	5.4
58.06592	100.0
59.07365	3.3
60.08152	5.4
67.11072	2.6
67.84197	2.5
69.07050	3.1
70.06569	12.2
70.36311	2.7
71.08638	4.8
71.41773	2.4
72.08144	54.6
74.02399	3.1
84.04503	23.0
84.08136	63.8
84.08644	4.0
86.09698	37.2
87.05572	11.3
89.10767	4.4
96.04466	4.0
101.10757	15.6
101.76857	2.7
108.81059	3.0
121.06507	6.1
130.05005	5.1
133.06090	30.4
136.07547	3.2
138.09169	4.0
149.02356	13.6
149.81204	2.8
155.11794	10.9
167.03448	3.4
197.12860	3.5
211.18158	8.9
231.04079	3.7
256.29843	3.4
268.20154	11.5
288.95236	3.6
314.18835	3.3
327.27512	54.3
332.20029	17.6
349.74225	3.6
391.22687	3.2
391.26981	18.0
408.16949	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2956
Annotation	Holadysenterine
Peak:m/z	Relative Intensity
54.36034	7.3
55.05499	22.9
57.18999	6.4
61.14887	7.1
61.24012	7.2
67.05490	16.1
71.08612	20.7
77.19530	6.8
81.07047	21.3
83.08609	15.2
93.07041	15.9
95.08629	10.5
104.15829	7.9
105.07043	18.6
107.08581	10.3
109.10136	9.1
119.08544	8.3
122.01797	9.1
122.02711	13.6
131.56044	8.3
149.02310	100.0
177.12755	10.7
178.39500	8.5
230.07533	10.6
264.23193	46.7
373.28519	42.2
391.29474	75.5
403.67654	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	4.3
65.03925	3.6
66.22657	4.0
69.03410	10.2
71.08617	8.3
72.08157	6.9
81.03407	16.2
84.04496	9.0
85.02888	17.1
86.09682	18.6
87.10028	4.7
97.02887	16.2
104.83450	4.9
105.01842	5.7
106.09206	4.9
109.02858	8.1
110.38916	4.4
126.03732	38.2
127.03947	14.6
132.26173	4.3
144.04778	100.0
145.04787	5.8
149.02315	22.6
185.61053	5.4
186.15866	4.8
207.14368	5.2
223.12386	6.8
245.09552	7.3
392.10046	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01862	3.8
57.03432	3.9
60.35790	3.4
61.02911	3.0
65.60067	3.0
68.26199	3.2
69.03410	23.2
72.08167	7.4
73.02911	4.2
75.86809	3.1
81.03400	44.1
84.04536	3.6
85.01134	3.6
85.02899	54.3
87.00835	13.9
93.30012	3.1
97.02888	40.4
97.03374	3.6
98.00581	3.9
99.02651	4.7
99.04493	11.5
105.01841	21.9
109.02869	42.3
109.03541	4.4
109.41765	3.5
116.01748	3.9
126.03730	35.2
127.03911	100.0
127.04767	7.2
130.94598	4.1
144.04768	85.5
145.05029	16.4
149.02403	13.6
159.02927	10.3
164.49794	3.8
178.25002	3.6
231.05121	6.4
245.09702	6.5
409.84225	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54023	4.2
57.03427	23.1
58.99566	16.5
69.08521	4.0
69.97211	4.4
72.08147	24.4
73.08488	6.9
74.26472	4.3
76.02216	74.9
84.04497	39.9
84.08125	8.8
85.06528	28.3
86.99034	8.1
99.02692	6.6
116.01698	20.6
117.03709	100.0
120.08071	8.6
129.06578	6.9
130.05005	21.0
139.63803	4.8
140.44135	5.0
142.06856	13.2
144.01111	7.7
149.02324	18.5
160.07930	24.5
162.02155	31.3
179.04916	15.1
233.06020	6.1
235.31541	5.3
245.09540	88.3
263.10657	6.4
317.11743	10.0
332.22293	9.1
360.82373	5.9
384.95880	5.9
392.14844	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60278	7.9
56.05030	23.9
61.01133	12.2
65.32552	7.7
66.21499	8.6
66.91458	9.8
67.64600	10.3
68.84898	8.6
79.05480	29.2
81.07050	12.3
84.08134	37.8
86.09692	89.9
91.05508	10.4
93.07053	10.1
95.04951	17.2
95.07353	11.1
98.06024	12.0
104.05352	11.4
105.06998	11.5
106.06530	24.0
108.08097	18.9
110.06047	14.5
110.07168	35.5
119.08587	12.6
120.08105	46.2
125.86631	10.2
129.10260	21.1
136.07626	20.9
149.02324	23.5
156.07700	18.1
157.10201	16.1
162.05490	26.2
180.06496	57.6
191.14233	16.7
199.14818	13.9
213.64676	11.9
233.16621	20.0
234.81926	12.5
254.10242	100.0
260.49142	12.4
307.27246	11.2
392.21066	12.7
419.13486	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99018	13.6
56.05026	22.6
61.29862	15.4
65.03947	17.0
65.99168	14.5
66.03992	14.4
66.73402	18.2
69.07057	17.5
71.08646	18.7
71.70039	14.9
72.94477	15.5
79.05499	43.5
81.07043	23.2
81.35971	18.3
83.36298	17.6
84.04542	25.0
86.09713	100.0
105.07069	46.7
107.08636	26.8
108.08141	18.3
110.07172	20.9
110.09240	23.2
115.37863	17.3
119.08559	39.4
120.08111	31.7
131.08629	52.4
133.10184	57.5
139.90852	22.5
143.08551	30.7
149.02412	63.0
157.10143	32.9
173.13301	51.0
199.14928	37.1
254.10397	26.5
374.19891	32.5
382.92929	25.4
392.21069	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.6
57.72081	2.8
58.06593	24.9
58.33494	2.7
60.07858	5.7
60.08154	82.4
64.18420	2.5
67.05504	4.2
69.03407	4.8
69.07049	12.1
70.06569	5.1
72.08142	4.0
81.07046	3.4
84.04501	10.0
87.49749	2.7
90.19556	3.0
93.07069	3.1
94.06578	13.1
95.04973	4.0
97.06510	7.5
102.37109	3.1
113.26385	2.9
114.09213	4.8
119.15411	3.0
120.04451	7.3
122.06057	3.8
123.83357	3.4
124.07606	11.3
130.05003	6.4
136.07571	100.0
138.32802	3.0
146.06006	21.6
148.03897	7.4
149.02362	8.1
152.07057	22.9
152.63272	3.3
164.07068	67.9
166.08592	3.3
174.05522	15.3
192.06570	5.9
202.04865	3.1
229.91708	3.3
239.10262	7.0
251.10316	11.1
269.11215	3.9
287.13898	8.5
290.03314	3.7
374.17114	10.0
392.21820	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2178
Annotation	Leu-Pro-Tyr
Peak:m/z	Relative Intensity
58.06592	9.7
60.08156	100.0
67.05505	1.9
69.07056	17.9
70.06579	2.6
88.04025	1.5
94.06569	9.0
95.35003	1.7
97.06513	9.5
114.09174	3.9
114.12790	2.4
118.06517	2.7
120.04465	11.9
136.07588	15.0
143.29422	1.7
146.05997	30.0
146.07062	2.6
148.03947	7.5
164.07019	9.4
174.05476	15.4
192.06575	4.8
202.05020	2.3
219.89101	1.8
253.11833	2.5
392.21759	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2177
Annotation	Leu-Pro-Tyr
Peak:m/z	Relative Intensity
50.82275	2.0
51.28207	2.0
53.89397	2.0
54.40088	2.0
58.06592	14.1
59.07360	4.6
60.08157	100.0
60.08459	5.9
62.93441	2.1
63.52120	2.3
69.07047	17.5
70.06584	2.3
71.08591	2.7
71.11883	2.3
72.02847	2.2
72.08162	2.7
75.74229	2.2
81.54219	2.4
86.09695	3.4
89.34045	2.5
94.06580	5.6
97.06554	3.9
103.01129	2.7
118.06578	2.9
120.04469	9.8
124.30727	2.1
130.06569	2.8
136.07568	5.1
146.06000	23.1
148.03978	7.6
149.02335	10.1
150.05582	3.6
158.06009	3.2
173.07043	3.9
174.05513	14.1
229.15457	4.3
245.52379	2.7
392.21841	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2179
Annotation	Leu-Pro-Tyr
Peak:m/z	Relative Intensity
53.70296	4.5
58.06599	11.4
60.08158	100.0
69.07072	11.8
70.06616	7.0
86.09687	33.1
91.71598	8.2
108.04475	9.4
110.06069	14.5
120.04478	9.5
125.77422	4.5
149.02377	21.1
173.07130	6.6
175.08711	8.3
179.18770	5.8
202.04958	7.2
229.15506	5.9
235.23236	5.6
279.28232	5.7
287.13776	5.8
392.21698	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07038	5.4
57.52679	6.6
68.05023	8.0
71.08649	6.4
74.70761	6.2
84.04494	55.1
96.04484	24.5
98.06060	11.8
112.07581	7.3
112.25373	8.4
124.16188	8.1
126.05511	43.1
138.05487	100.0
144.06587	17.1
149.02316	26.1
168.06535	21.4
170.16919	7.4
186.07634	19.6
263.72879	8.4
290.99268	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	7.0
67.05489	16.2
69.03436	7.1
71.04610	8.6
71.04981	100.0
79.05498	8.8
81.07044	45.1
83.08590	6.4
85.02905	24.8
85.06542	31.7
91.05441	14.6
93.07028	38.1
94.50713	6.5
95.08580	8.8
97.06526	25.2
99.01209	7.0
103.99926	7.2
105.06967	11.9
107.08562	13.3
110.28295	7.3
111.08109	12.5
117.07030	12.4
122.55540	7.5
131.08557	16.2
133.10056	12.5
135.11697	18.1
149.02338	20.9
149.13304	11.7
159.11723	33.1
177.12708	35.8
195.13794	61.5
213.14879	25.4
293.10321	8.2
296.90942	9.1
314.72604	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	100.0
67.05524	2.3
69.14356	1.9
81.55835	1.9
94.15636	2.5
102.09206	3.7
123.05624	4.9
124.42423	2.5
137.01807	2.5
149.02377	4.9
150.23068	2.4
207.11380	8.6
224.14018	10.0
235.56194	2.6
308.19693	30.3
339.28915	2.8
342.33438	3.0
374.24380	23.1
374.31848	2.8
377.12869	2.8
392.25504	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41989	1.6
54.43890	2.1
60.08147	6.2
70.06570	2.1
71.94851	1.7
77.09191	1.7
79.93474	1.7
90.02934	1.9
99.12794	1.9
105.07078	2.5
125.04835	1.9
126.15799	2.0
148.67026	2.2
193.04610	2.3
307.11356	3.1
349.12494	34.4
392.21591	4.5
393.11517	100.0
393.22113	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	11.4
71.09649	10.1
77.80759	10.1
86.09705	15.4
102.05505	12.4
102.82736	14.3
105.07034	12.7
109.10155	14.8
109.17896	12.1
114.20033	11.1
122.09572	10.5
129.14827	11.0
149.02322	12.7
164.48195	12.0
170.94736	12.3
349.12787	22.7
376.77573	11.6
393.11490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	14.2
55.01868	6.9
55.05515	5.6
57.03444	9.9
58.06592	18.5
58.99823	3.0
59.07383	10.8
60.08172	13.7
69.03423	64.2
69.36777	3.1
71.04996	17.4
71.08665	3.9
72.08157	17.2
73.08475	4.0
75.32748	3.1
76.59851	3.4
79.05524	4.1
81.03411	64.3
81.07046	28.6
84.04527	5.2
85.02902	45.7
85.03350	3.7
87.00867	15.2
93.71358	3.5
97.02902	22.1
99.04473	21.8
99.08104	22.2
109.02875	58.5
109.03510	4.8
109.06528	6.0
117.09176	9.7
120.08159	12.0
125.02402	13.8
125.09637	5.6
127.03912	100.0
127.04790	6.9
127.07603	15.0
145.04964	5.0
146.06035	8.4
173.08153	10.7
207.10298	6.5
213.03972	6.1
225.11235	7.1
231.05035	18.4
284.44812	5.2
293.54260	4.3
311.11237	8.1
379.27084	4.7
392.21765	6.4
393.22116	7.8
397.13403	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30514	4.1
57.03426	16.0
57.29390	3.2
59.07375	4.5
60.44906	3.9
61.01130	6.3
61.02911	5.9
63.70831	3.6
65.06170	4.0
67.05493	12.2
69.03419	25.2
70.06580	7.9
71.04977	11.4
72.54818	4.3
75.04465	6.6
79.38051	4.0
81.03407	10.7
84.04485	12.6
85.02909	15.5
86.09705	7.9
88.74595	4.0
91.70952	10.1
99.04472	7.9
99.60569	4.6
117.05522	4.5
127.03900	6.9
130.04979	6.6
136.07642	7.8
161.07127	9.6
164.07066	6.5
188.08179	32.5
201.98077	5.1
214.06381	6.0
232.07227	15.3
243.88402	5.7
259.08231	77.4
280.31918	5.4
288.84326	5.5
393.13992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01651	1.5
55.01867	16.4
55.08308	0.9
58.99575	2.0
67.40297	1.2
69.03394	1.8
72.08141	4.0
76.02227	6.8
79.05482	1.8
79.22496	1.1
80.67553	1.2
81.03421	2.1
81.07041	1.8
83.04970	11.2
84.04495	18.7
85.02927	2.3
86.09674	2.7
95.08588	1.6
105.00076	2.2
105.01937	1.5
107.08597	4.1
122.02721	22.7
125.09627	100.0
126.03756	3.5
127.04046	3.3
130.05040	3.5
142.03252	2.0
143.10690	8.0
144.04784	8.9
145.05078	7.1
188.03728	2.6
201.00507	1.4
213.80542	1.3
251.07004	3.4
264.12567	7.3
325.60629	1.5
393.10745	2.3
393.17017	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	3.1
65.77755	2.5
67.05478	3.9
70.06559	3.9
73.79206	3.0
84.04493	100.0
85.02889	4.2
86.09698	3.0
88.03984	29.5
106.23916	3.5
108.56703	3.1
120.08086	3.8
120.99556	10.1
130.05003	77.4
136.29207	2.7
138.01285	3.5
138.02165	19.3
154.05009	7.6
182.74890	3.3
217.08182	37.4
243.76848	4.0
267.06503	13.6
324.08780	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.0
58.05968	4.8
60.08142	6.1
62.13437	4.7
67.05495	57.6
69.03421	63.7
69.88280	5.2
71.04993	14.0
72.40926	4.6
73.02889	5.4
79.05542	4.7
81.03417	32.2
81.07048	7.1
82.12044	6.5
85.02898	100.0
85.06555	8.9
87.00819	40.0
91.71030	6.2
93.07063	7.8
93.99384	5.2
97.02880	30.5
99.04424	11.0
105.01848	59.7
105.02384	5.2
105.11768	5.9
109.02863	14.0
109.10143	36.7
121.73092	5.8
127.03889	48.6
145.04984	19.0
151.72253	5.9
217.12418	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00349	3.4
52.29561	3.6
53.03923	4.0
55.01863	6.0
55.05506	8.4
57.03431	6.0
58.06602	3.8
59.04981	4.2
60.08151	3.6
60.90911	3.6
61.02924	7.3
67.05496	56.7
68.99765	4.1
69.03423	65.8
70.06579	10.0
71.04976	13.3
72.08149	10.2
77.61657	3.5
81.03416	22.4
81.07048	10.4
83.08618	6.1
85.02901	100.0
85.06539	4.9
86.09689	8.6
87.00829	38.9
91.05509	6.8
92.91827	4.4
93.07054	8.0
97.02900	28.0
99.04409	10.2
105.01854	62.6
105.07033	4.6
109.02859	23.8
109.10150	35.7
112.08372	4.6
118.77248	4.1
120.08156	4.5
121.10166	6.2
125.01172	4.4
127.03913	66.2
127.11208	9.4
128.12935	4.9
136.07567	14.3
137.07877	8.4
137.09685	4.5
145.04974	16.3
164.07069	12.5
165.07361	5.0
179.18646	4.2
219.60728	5.5
231.05032	10.0
328.98026	4.7
404.24225	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	49.2
60.07147	42.8
64.59604	51.5
66.55178	34.3
67.05487	81.7
69.07061	44.5
79.05485	53.6
81.03426	40.1
81.07040	64.0
81.33382	38.5
83.43983	41.4
86.09676	45.9
91.05455	57.0
91.68176	46.6
93.07044	71.2
105.07060	81.3
107.08593	66.6
109.10168	100.0
113.09641	51.7
129.07030	63.7
132.68845	47.0
133.10165	52.8
169.12279	83.2
231.41299	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	26.2
57.07061	15.9
67.05488	38.1
69.07071	31.8
69.11031	10.3
69.55445	12.7
79.05479	32.0
81.07059	74.2
91.05489	68.1
93.07042	83.3
95.04964	59.9
95.08609	65.8
105.07032	100.0
107.08592	52.3
109.10149	19.5
119.08572	80.7
121.06528	19.8
121.10146	45.3
131.08572	51.7
133.10097	39.3
135.11681	34.8
142.07782	25.5
143.08627	16.0
145.10147	53.1
147.11662	16.9
157.10156	35.0
157.81047	13.8
159.11693	35.8
162.19818	15.1
163.74336	13.8
164.98486	15.0
169.10051	18.2
170.60864	13.9
171.11713	28.2
173.13254	19.7
175.14900	14.8
209.72595	13.3
212.43924	13.8
221.67311	13.6
226.94165	15.4
281.36914	15.4
293.30377	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84927	3.6
53.03926	6.4
55.05495	16.4
57.07053	13.4
64.63520	4.0
66.81803	4.1
67.05496	34.5
69.03416	6.4
69.07051	19.9
70.17651	3.7
71.08643	3.9
78.77282	3.9
79.05477	21.6
81.07043	63.5
83.04971	5.5
83.08601	11.8
85.06519	6.0
91.05474	59.7
93.07028	75.7
93.54522	3.8
95.04963	47.1
95.08596	50.2
97.06523	12.7
98.10277	4.8
98.98454	9.6
103.95395	4.5
105.07023	97.5
107.08586	44.4
109.06522	15.8
109.10152	33.0
117.07025	26.1
119.08576	100.0
121.06485	17.5
121.10110	37.9
121.93474	4.5
123.08095	7.5
123.11711	5.9
128.06282	5.8
129.07039	18.0
130.07785	9.3
131.08577	29.7
133.10136	39.0
135.11702	17.7
136.17108	5.1
138.33722	4.9
141.07069	5.8
142.07785	17.1
143.08554	37.5
144.09341	11.6
144.72714	3.9
145.10127	51.5
147.11687	19.9
149.09654	4.5
155.01010	9.6
155.08629	7.7
156.09386	12.9
157.10112	40.6
159.11665	40.2
161.09554	9.5
161.13205	8.0
166.07777	4.6
166.87085	5.3
168.09396	5.2
169.10132	19.5
171.11667	15.5
173.09651	5.2
173.13292	14.6
175.14854	17.6
180.09401	7.8
181.10136	8.4
183.11729	15.8
185.13298	11.3
187.14806	8.4
193.10217	5.6
194.10808	6.2
195.11792	8.3
196.12555	6.2
196.17546	4.8
197.13347	16.5
209.13237	11.2
215.31758	4.6
223.14954	6.6
235.14871	5.7
294.87955	6.0
301.99228	5.3
345.83398	5.9
400.77121	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	26.2
57.07061	15.9
67.05488	38.1
69.07071	31.8
69.11031	10.3
69.55445	12.7
79.05479	32.0
81.07059	74.2
91.05489	68.1
93.07042	83.3
95.04964	59.9
95.08609	65.8
105.07032	100.0
107.08592	52.3
109.10149	19.5
119.08572	80.7
121.06528	19.8
121.10146	45.3
131.08572	51.7
133.10097	39.3
135.11681	34.8
142.07782	25.5
143.08627	16.0
145.10147	53.1
147.11662	16.9
157.10156	35.0
157.81047	13.8
159.11693	35.8
162.19818	15.1
163.74336	13.8
164.98486	15.0
169.10051	18.2
170.60864	13.9
171.11713	28.2
173.13254	19.7
175.14900	14.8
209.72595	13.3
212.43924	13.8
221.67311	13.6
226.94165	15.4
281.36914	15.4
293.30377	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.7
56.62845	3.4
58.06601	15.2
60.08154	91.7
70.06594	6.6
72.08142	98.8
72.08516	5.6
83.04967	29.1
84.04513	10.1
84.08147	11.1
85.02933	4.2
86.09698	4.6
89.10786	10.5
91.05489	13.1
91.71640	8.2
100.11263	8.2
104.57424	3.9
107.04976	12.7
107.87003	4.0
119.04948	7.1
121.06541	11.4
130.05011	7.6
136.07568	77.5
145.52997	4.1
147.75883	4.6
155.08292	7.6
162.05577	11.3
168.12878	4.6
169.05882	4.6
218.11833	11.3
277.19064	9.4
323.25275	6.1
327.27576	5.8
334.21164	10.8
343.33463	4.9
393.28580	100.0
398.44086	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99860	2.1
55.05511	17.0
57.07071	3.5
67.05489	28.4
69.07059	22.6
79.05492	6.1
81.06592	4.6
81.07042	38.0
82.06581	7.1
83.08614	18.9
91.05444	3.5
91.71613	2.4
93.07041	9.8
95.08598	33.5
97.10176	4.6
97.89548	2.5
100.43700	2.3
100.68731	2.3
105.07050	6.0
107.08602	10.0
109.06526	7.0
109.10154	14.8
119.08599	8.5
121.10152	9.5
123.11700	4.4
123.97921	2.5
133.10135	4.1
135.11679	4.5
147.11749	8.1
149.13239	6.1
161.13194	6.1
179.14381	3.8
182.15488	2.7
231.21118	6.7
266.24756	64.9
340.46744	3.1
360.62109	3.1
375.30063	41.8
393.26105	5.6
393.31076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49164	1.5
55.05507	15.2
57.07047	1.8
61.05207	1.7
64.69797	1.7
67.05500	25.9
69.07058	22.6
71.40736	1.7
76.53560	1.8
79.05495	5.6
81.06602	3.2
81.07047	36.7
82.06575	4.9
83.08617	11.2
91.05458	5.4
93.07038	13.1
95.08595	29.2
97.10162	4.7
105.07007	6.1
107.08565	8.7
109.06517	6.8
109.10135	13.6
119.08556	6.0
121.10156	5.4
123.11698	3.9
133.10069	3.6
135.11714	3.7
137.13240	2.7
147.11703	6.4
149.13234	5.7
161.13242	6.8
163.37061	2.0
219.55989	2.1
231.21065	5.8
249.22151	4.2
256.03836	2.2
266.24756	52.8
283.27399	3.0
375.29990	35.6
393.31052	100.0
394.31622	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98075	1.8
56.73885	1.7
58.06596	67.7
59.07368	2.7
60.08153	8.2
67.67952	2.1
70.06615	2.2
83.93346	1.8
84.04487	2.7
91.05472	13.6
93.36453	1.9
93.82653	2.4
119.04944	31.8
124.20371	2.2
129.07054	2.6
130.06532	19.4
132.08128	3.0
142.06612	2.1
143.07359	2.8
144.08069	23.9
146.06009	5.5
146.09601	2.0
147.04405	100.0
156.08081	14.1
162.78539	2.4
170.09651	3.8
171.09218	4.5
173.10754	8.4
217.09821	7.7
225.10112	3.7
271.10785	3.9
322.46695	3.8
323.20850	3.0
330.18051	36.4
335.10712	10.2
381.33789	2.4
394.18112	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	16.7
69.03413	48.2
69.07048	45.6
71.04979	17.1
74.67136	15.5
85.02895	100.0
87.00791	18.9
97.02883	29.5
104.69488	14.9
105.01888	43.3
109.02872	31.4
115.10673	18.2
120.43740	18.6
127.03875	41.4
168.13887	21.7
193.14235	21.2
195.00508	18.5
208.32884	19.9
210.69356	22.4
259.80316	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49408	3.4
53.00287	4.2
55.01868	4.2
55.05495	11.3
58.48504	2.9
59.83440	3.9
61.02885	5.1
69.03417	40.3
69.07059	48.9
71.04996	3.8
73.61906	3.9
81.03415	23.9
85.02893	100.0
85.03376	8.3
87.00827	18.7
91.71720	5.3
97.02883	33.2
99.04458	12.7
105.01857	66.9
109.02872	24.2
117.67675	6.0
117.89943	4.2
127.03895	56.0
145.04961	27.6
159.02908	8.0
159.17851	5.0
223.15569	5.8
231.05017	12.5
247.03154	4.7
288.18033	5.8
297.42126	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15032	4.8
69.07050	5.2
70.53132	5.7
71.04995	5.7
78.18485	6.3
79.05472	9.0
83.04948	14.0
84.04495	52.2
91.05490	13.5
93.07020	35.9
94.61797	6.7
102.05538	25.2
105.07040	16.0
106.51837	8.3
107.08583	21.6
109.10087	7.9
117.06979	8.5
121.06478	59.5
121.10139	14.5
130.04953	15.8
133.05791	6.3
135.08064	39.2
135.11697	11.8
135.34894	6.5
145.10112	30.3
148.06010	13.7
159.11682	8.7
163.11157	88.1
173.09616	15.3
191.10663	13.3
191.73994	7.0
194.50862	6.8
219.17393	17.3
229.15953	18.2
247.16902	100.0
265.18030	7.8
327.94116	9.2
348.21744	24.5
376.21231	27.4
394.22324	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36164	8.0
52.84768	9.9
53.45791	8.7
54.56791	8.8
57.07059	12.1
70.06576	23.4
74.22066	12.8
88.07609	35.6
99.51029	12.9
102.09188	21.9
102.72430	12.6
128.26418	14.8
149.02322	100.0
153.03369	11.6
156.47983	10.9
157.62497	12.9
163.53728	13.3
175.40097	15.8
179.86644	11.5
193.04933	97.8
198.27490	11.5
207.74808	12.2
228.23312	69.1
291.95578	15.0
309.47308	13.1
356.15182	16.8
394.25885	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53463	2.9
55.01870	5.5
67.05477	9.9
67.86687	3.2
84.04488	10.7
85.06528	4.3
85.49754	3.9
94.95734	3.4
109.10142	7.5
120.15099	3.8
125.09631	27.5
126.09973	5.5
138.16386	4.5
159.08377	6.3
169.79869	4.7
248.13269	4.3
271.04138	6.8
286.36322	4.1
339.04163	4.6
351.10559	20.1
395.09467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12273	0.5
61.02907	2.5
65.03936	1.4
68.99770	2.9
69.03413	1.6
73.58169	0.6
81.03401	1.8
83.33536	0.7
85.02890	2.7
85.09253	0.5
87.00820	1.1
88.21561	0.6
89.65710	0.7
91.05479	14.7
97.19447	0.7
105.07010	0.8
107.04953	0.8
109.02860	2.6
115.05431	2.1
119.04935	29.1
127.03908	2.4
129.01839	3.2
131.04930	1.9
133.06490	1.6
143.04900	1.7
147.04407	100.0
148.04741	0.9
149.94469	0.7
157.06509	0.9
159.04457	1.1
161.05975	1.1
171.04427	2.6
175.03873	0.7
177.05452	1.9
181.06461	1.0
185.05983	1.8
189.05446	4.3
201.15895	0.7
213.05438	1.9
231.06480	1.2
255.06424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13858	1.1
58.06581	4.5
59.01415	1.2
60.22775	1.2
60.25316	1.3
65.03938	2.6
71.93945	1.3
72.08132	1.7
90.04630	1.3
90.86166	1.3
91.05476	16.8
109.02872	2.3
119.04944	33.8
120.08121	2.1
127.03954	1.5
145.15251	1.7
147.04407	100.0
177.81467	1.6
223.96387	1.4
314.47943	1.5
381.98157	2.0
387.32712	1.6
391.81165	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93526	0.9
58.06584	1.1
58.81397	1.0
61.02912	3.0
65.03922	2.7
68.99776	3.1
69.03408	2.9
70.06576	2.3
70.35251	0.9
75.87123	0.9
80.50860	1.0
81.03409	2.7
84.04443	1.0
85.02901	2.4
91.05467	16.1
96.98222	1.4
103.05437	1.8
109.02898	2.6
110.07209	1.5
115.05395	1.6
119.04931	28.9
127.03931	3.0
129.01862	3.5
133.06473	2.4
143.04910	2.5
147.04404	100.0
161.05977	1.3
171.04411	3.1
177.05466	3.0
185.05930	1.6
189.05496	3.8
213.05490	2.6
237.05618	1.3
255.06525	1.5
364.08902	1.3
395.09637	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	62.8
62.83550	66.8
64.08052	65.8
65.77964	64.8
67.05481	55.8
85.80508	62.8
175.60484	70.8
211.35094	70.9
297.03464	100.0
333.60876	82.4
345.44736	87.5
408.03415	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
53.92819	1.7
54.35734	1.8
54.54262	1.5
55.05496	8.9
57.03412	2.1
57.53619	1.8
61.01130	2.9
61.02907	2.0
66.57120	1.8
69.03423	16.0
69.07058	100.0
81.03410	13.2
83.08628	3.5
85.02898	37.7
87.00838	12.8
91.05469	5.2
97.02882	13.6
99.04489	5.0
105.01855	16.6
109.02871	13.7
110.07184	2.2
111.11715	31.5
127.03909	23.5
129.12730	19.2
130.06508	2.1
132.84396	1.9
145.04962	2.1
147.13777	16.2
153.01819	1.9
170.15353	2.7
187.39568	2.5
231.04964	2.9
244.89073	2.2
260.78265	2.8
261.08759	2.3
267.85153	2.3
275.81497	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01857	3.3
55.05499	8.3
57.03418	3.9
60.34718	1.9
61.02896	2.9
61.30289	2.0
61.43268	2.1
68.90080	1.8
69.03417	23.4
69.07058	100.0
71.04974	4.2
71.14603	1.8
77.93127	2.1
81.03407	16.4
81.74365	2.1
83.08582	5.6
84.08089	2.3
85.02896	47.1
87.00810	16.7
91.71627	3.5
97.02893	15.5
98.37853	2.2
99.04443	5.1
105.01858	14.5
109.02876	17.4
111.11716	34.7
114.83968	2.1
127.03914	29.1
129.12756	24.9
145.04941	4.2
147.13788	17.6
149.24507	2.4
150.35110	2.2
198.80370	2.8
219.88513	2.5
231.05061	6.9
276.11984	2.5
284.84833	2.4
297.38156	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.3
53.03928	2.7
55.01863	4.5
55.05505	7.2
56.68722	2.4
57.03418	3.4
61.02906	3.3
69.03426	30.8
69.07059	100.0
71.04973	3.3
81.03411	15.9
83.08563	3.0
85.02901	45.2
87.00839	17.5
97.02886	11.4
99.04444	4.1
99.41069	3.0
105.01884	25.3
109.02900	23.3
111.11712	24.7
113.20437	3.1
127.03911	29.9
129.12766	28.9
145.04907	5.4
147.13812	12.0
166.88623	3.1
178.64160	3.2
231.05124	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05285	0.9
58.52647	1.0
72.71696	1.1
74.81244	1.0
84.04494	25.9
91.05475	2.2
93.07072	4.1
102.05552	1.1
103.05490	2.4
121.06499	100.0
122.06038	1.5
122.06868	1.3
130.04994	13.5
138.09123	18.0
147.53827	1.4
168.06554	1.4
195.07736	1.9
204.10316	3.3
221.12979	4.8
250.10744	8.5
267.13345	22.1
414.50034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39849	6.1
55.01866	7.8
56.47313	6.1
57.03403	7.7
61.02898	9.0
69.03411	56.9
69.07040	7.4
81.03398	19.4
82.93803	10.2
83.01311	7.3
83.08626	7.7
85.02888	100.0
86.09685	8.2
87.00815	23.0
96.37749	7.2
97.02895	37.9
99.04418	16.3
105.01846	50.2
109.02893	24.6
127.03931	73.2
145.04953	34.4
159.02838	13.8
162.29822	8.2
163.45175	8.8
168.13840	16.0
214.36810	7.9
231.04979	14.3
257.02411	9.0
396.32004	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	9.5
76.79819	8.3
94.66042	8.2
109.84644	7.2
124.38995	7.6
131.04546	8.0
166.00299	7.8
167.01207	8.8
203.70189	7.9
311.06940	12.2
329.27856	9.6
335.58063	8.7
353.08405	44.6
359.28842	11.1
397.07333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73259	6.2
66.68227	5.8
69.23845	5.3
70.92762	5.7
84.34766	5.1
105.67302	6.5
128.07179	5.9
212.68347	6.2
212.70789	8.2
228.18825	7.1
397.18201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77808	3.4
57.03421	9.4
63.40351	3.1
69.03421	10.0
79.63999	3.3
81.03393	6.8
90.44404	4.0
91.71075	7.1
92.31734	3.5
105.03706	5.0
111.74701	3.7
121.00381	3.4
135.64870	4.3
148.08688	26.5
160.08675	27.3
168.51991	4.3
172.08688	3.9
177.05753	3.7
177.09029	5.2
178.09741	67.2
190.09793	6.0
202.09726	7.2
220.10851	21.7
294.14551	6.2
336.15500	29.6
354.16479	54.3
398.15588	100.0
415.89807	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01876	5.4
55.05521	3.6
57.03419	6.7
61.02914	3.5
69.03421	40.2
69.07063	59.8
70.06587	8.6
71.04994	4.6
72.08159	20.3
73.06552	6.2
81.03414	28.7
81.07063	4.7
81.15224	4.1
85.02894	100.0
86.09708	7.1
87.00832	25.0
88.12751	4.0
97.02888	38.1
97.06519	11.2
99.04453	12.6
105.01859	45.0
109.02876	38.5
110.07164	11.8
115.07565	90.7
126.02362	3.7
127.03929	56.2
129.63649	4.1
133.08603	28.5
145.04956	18.3
146.04486	4.7
159.02937	6.7
168.06548	4.7
173.45210	4.4
202.56015	4.5
213.03819	5.6
231.05014	15.2
249.05946	5.5
285.90863	4.3
339.21884	5.9
344.01636	4.1
354.18457	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.5
57.06220	1.6
60.08157	1.9
69.03393	3.0
69.07056	7.6
70.06571	3.9
72.08146	42.3
82.06564	2.2
82.14038	2.3
83.04971	5.5
84.08127	2.6
85.02888	6.4
88.04505	1.7
97.88158	2.0
109.02908	2.3
110.06011	2.3
115.07568	21.3
127.03966	3.8
130.06523	100.0
131.06850	2.5
132.08125	3.7
138.10281	8.1
144.08049	6.2
154.09740	35.4
159.09183	8.2
163.10300	2.3
174.34041	2.2
177.97083	2.2
182.16548	3.0
184.07310	2.3
185.07135	7.5
192.88103	2.2
210.16121	2.5
210.21555	2.1
213.13889	7.7
240.14966	2.3
255.16020	2.4
267.16068	3.7
283.15469	47.4
311.22293	30.2
339.21716	30.1
361.52737	2.3
398.28888	10.2
404.09378	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74435	9.9
53.70053	8.2
57.07065	49.5
62.45579	10.8
63.00043	84.6
63.31128	8.3
64.03827	10.7
69.07047	9.8
69.80609	9.6
70.85938	10.2
71.08613	33.9
77.68657	9.6
78.23573	9.4
85.10182	24.7
89.06019	28.8
104.02625	13.7
107.02612	50.2
111.31255	10.1
114.12801	100.0
133.19197	11.5
146.53596	11.2
151.05208	16.2
213.08861	24.8
312.77768	13.0
323.61517	14.4
398.29459	26.1
401.24289	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19629	4.4
53.77020	5.3
55.85852	4.7
55.93316	4.1
61.84979	5.9
61.90731	5.3
69.72884	4.9
83.06600	6.0
90.17620	5.4
91.05464	100.0
91.05949	7.1
91.85553	4.8
108.08150	17.3
109.28513	6.0
114.12840	13.9
124.01292	5.9
232.45049	7.9
238.31241	6.8
398.30222	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1624
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
91.71027	6.8
100.37952	6.0
102.36792	6.0
152.35732	7.2
287.03897	14.7
399.16245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
68.41502	2.2
69.07059	3.0
70.06583	100.0
72.08141	5.3
74.03212	2.2
74.55641	1.9
77.07961	2.0
86.09701	48.6
87.10049	2.8
91.71667	2.3
98.98432	2.1
106.84296	2.1
110.07210	2.1
116.07202	2.7
125.00074	2.3
160.94043	2.2
169.03201	2.4
173.09203	67.9
176.99698	2.5
184.07260	16.1
190.57715	2.5
199.18080	4.7
222.03435	2.3
249.92413	2.6
286.05164	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.5
64.66193	11.0
65.17244	12.0
67.05480	40.3
69.07064	29.1
70.29440	12.9
70.35253	12.4
71.04973	29.9
79.05473	15.0
81.07047	90.5
86.04146	12.7
91.05470	34.2
93.07028	90.2
95.08601	100.0
101.95976	13.0
102.66055	14.3
105.07027	65.6
107.08591	87.4
109.10152	42.9
111.08089	26.1
119.08584	68.9
121.10126	49.0
133.10114	39.0
135.11720	36.1
145.10132	33.1
147.11659	25.9
149.13263	32.8
161.13223	35.4
163.14777	64.0
173.13184	26.4
175.14821	26.1
189.16335	14.6
199.14755	19.0
228.29756	17.9
381.31506	29.1
399.30698	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
54.27769	0.5
55.01862	1.0
57.03415	0.9
61.02901	0.9
61.75568	0.7
65.03928	1.4
69.03426	6.1
69.81332	0.6
70.06586	0.8
71.04981	0.7
73.02892	1.4
80.13868	0.7
81.03410	7.4
85.02897	8.9
87.00820	2.6
91.04981	0.7
92.05007	2.7
97.02881	3.5
99.04446	1.2
105.01874	2.0
109.02848	4.7
110.06033	100.0
111.04443	1.4
111.06377	0.8
111.71800	0.7
127.03925	5.7
129.01897	1.0
133.56593	0.8
134.06039	1.8
145.04967	1.7
149.72878	0.7
152.07056	70.3
159.02913	1.8
201.47057	0.9
216.96140	0.8
235.00699	0.7
258.31516	0.7
274.23172	0.7
283.97464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27076	4.5
53.86617	4.5
55.05490	27.7
57.03436	11.9
57.07051	7.9
60.08136	7.7
67.05491	11.0
69.03419	5.7
69.07060	40.8
71.08618	6.2
81.07054	16.8
83.08616	32.4
90.21002	5.4
91.71070	12.4
93.07053	22.4
95.04964	6.1
96.08100	6.0
97.10174	8.7
102.58745	5.5
105.07054	7.4
106.18443	6.3
107.08613	13.4
111.60523	6.3
121.10149	7.1
126.02488	10.5
144.06900	6.4
148.46590	6.3
148.74655	6.1
149.13281	16.6
170.90051	6.1
170.91521	5.9
177.50928	7.5
185.09752	11.6
259.19046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40874	14.8
55.05500	45.8
60.04513	47.4
65.62039	15.2
67.18678	15.5
68.05004	30.2
69.03419	29.7
69.07051	24.9
76.30424	17.4
81.07061	19.9
83.08596	21.9
96.04486	87.8
97.02872	40.2
100.97353	17.7
106.49303	19.3
112.03950	46.9
114.05506	100.0
123.20225	21.5
124.03962	63.8
125.02364	42.3
142.05040	49.9
156.06563	37.8
160.06090	35.7
181.15799	26.4
184.06078	30.9
202.07103	69.8
237.57675	23.1
244.01357	22.1
288.39960	30.4
296.46344	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65897	30.0
54.99015	26.1
60.04498	35.4
68.05021	39.5
69.03413	39.6
76.32039	38.2
81.07027	35.5
91.71046	34.7
96.04483	78.2
97.02917	43.6
99.75275	32.2
112.03942	90.2
114.05527	89.4
125.02389	41.4
142.04953	48.9
152.42940	36.4
178.81599	34.8
201.62065	43.6
202.07082	100.0
257.80057	36.2
311.50510	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00108	7.7
55.05514	28.2
55.86073	8.1
57.07077	9.5
67.05517	41.1
69.03427	13.6
69.07054	52.1
70.06631	9.3
81.07054	49.8
83.08643	22.7
84.04497	100.0
85.06580	11.6
91.05513	13.4
93.07050	27.1
94.80815	8.5
95.04978	18.6
95.08604	90.9
97.06539	17.3
97.10173	14.0
102.05521	62.9
105.07055	29.0
107.08639	28.8
109.10148	96.0
111.08067	11.5
119.08614	39.9
121.10169	20.0
123.08140	11.2
123.11735	12.3
125.09667	12.4
130.05029	39.6
131.08701	10.9
133.10172	34.5
135.11723	19.3
136.52785	9.8
137.09641	22.4
147.11732	30.1
148.06097	41.3
149.13364	15.0
157.10176	12.5
161.13293	26.8
163.14859	13.3
165.16435	41.1
175.11215	10.6
189.16367	86.2
193.44693	11.0
199.14919	31.1
201.27902	11.5
207.17462	69.5
217.15955	42.6
225.18590	13.1
235.16898	70.2
235.44493	12.3
249.03479	11.2
267.17819	9.5
271.19009	46.6
332.63712	11.0
336.21509	12.8
364.21725	19.1
382.22006	53.8
400.23511	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15322	2.1
55.05503	19.8
55.30449	2.1
55.43262	2.0
56.43364	2.2
57.07066	3.6
58.06572	3.1
58.54446	2.1
59.09639	2.1
60.09317	2.2
60.42982	2.3
67.05484	3.1
69.07050	14.2
70.06585	29.2
83.08598	6.1
88.07619	48.1
89.96612	2.4
95.08560	2.7
99.11237	2.6
102.09163	19.6
150.11285	3.1
153.07007	3.0
162.95271	2.8
199.06863	2.8
211.82123	2.7
220.84082	3.1
338.34113	31.6
344.97037	3.1
400.37823	100.0
401.38162	3.8
410.51813	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
53.72213	3.4
54.50587	2.9
55.01870	9.0
57.03446	4.7
61.02928	7.5
68.99793	5.0
69.03428	31.6
70.06586	28.7
71.05003	7.2
72.08133	3.0
73.02953	4.5
81.03416	22.9
85.02900	100.0
86.09698	53.8
86.10194	4.0
87.00828	29.0
87.04530	3.6
97.02884	64.3
99.04479	15.9
101.16517	3.6
103.03949	16.6
105.01862	37.8
109.02917	13.4
111.77065	3.8
112.08776	5.2
116.07133	10.7
127.03918	41.8
129.01892	4.1
144.05786	4.6
145.04964	21.1
147.02818	4.0
159.02959	9.4
173.05974	13.7
175.12021	6.2
189.04022	11.2
215.07039	5.0
219.06648	13.3
231.05075	6.5
261.07785	5.1
271.17560	5.5
288.20367	6.7
401.28580	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36720	2.3
53.03926	5.5
53.99138	2.3
54.90641	2.5
55.01855	6.8
57.03420	6.4
57.46674	2.6
60.08148	10.4
61.02911	4.4
62.85319	2.3
69.03423	25.6
69.16371	2.5
72.08143	6.1
73.02909	4.3
81.03406	26.5
85.02891	60.1
86.09685	17.6
87.00827	12.3
97.02892	14.5
98.60252	2.7
99.04450	8.0
105.01859	9.8
105.24901	2.5
109.02875	25.4
110.06025	5.5
111.06342	3.8
111.69742	2.8
127.03915	34.0
128.63731	3.0
135.04439	3.9
145.04994	8.9
148.22729	3.3
152.07056	3.5
153.05461	100.0
159.02876	12.2
160.39890	2.7
292.54855	3.1
335.41830	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43404	3.0
62.41879	3.1
69.21353	3.6
70.06573	6.0
72.08151	7.1
84.69029	3.4
86.09700	14.3
112.01525	3.7
130.77087	4.1
153.08807	8.9
154.02066	3.8
188.55237	4.0
204.89610	4.3
250.85332	4.2
272.24060	4.3
315.13879	15.3
352.08633	4.4
357.15137	35.9
401.14157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33367	7.1
53.75463	6.1
55.01863	15.6
67.55350	7.9
68.19937	9.8
69.03418	32.4
71.39981	8.8
81.03406	22.5
85.02901	100.0
87.00826	18.5
91.05466	32.3
97.02905	28.9
99.04438	14.0
101.92502	8.5
105.01868	56.2
109.02869	27.2
119.08588	35.7
122.47073	8.7
127.03905	61.4
133.93271	7.7
145.04919	11.9
153.33437	8.2
203.71774	10.1
231.05043	17.4
250.04266	11.8
353.05188	9.6
389.60574	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03960	0.5
51.40712	0.5
51.60048	0.6
52.09883	0.4
58.54310	0.5
59.66830	0.5
63.28114	0.5
63.36901	0.6
69.03427	0.8
70.06618	0.6
81.03389	0.9
85.02875	2.0
87.31371	0.6
90.86433	0.5
91.05460	4.7
93.07091	0.7
97.02865	0.9
99.04420	0.5
101.84566	0.6
103.05510	0.9
104.06238	1.2
109.02863	0.9
115.05475	0.6
117.06999	1.8
119.08579	100.0
120.08942	1.1
127.03936	1.4
133.10149	1.0
136.11232	0.8
143.03392	0.6
187.08955	0.6
189.06616	0.7
306.28665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64449	2.5
57.07008	2.9
67.44875	2.1
68.05072	2.2
69.03430	5.1
75.60423	2.3
81.03384	4.0
84.04510	8.6
96.04486	20.0
97.02900	6.1
98.06051	12.6
109.02898	6.9
116.36914	2.7
126.05523	11.2
128.96510	3.1
138.05489	100.0
144.06554	17.8
168.06570	14.7
170.19888	2.9
186.07605	16.3
330.92203	3.9
394.33340	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13019	5.3
83.08659	6.0
84.04492	32.3
96.04523	25.4
97.02888	6.4
98.06072	6.7
102.05559	12.2
126.05528	15.5
130.05023	8.1
138.05498	100.0
140.48882	5.4
144.06551	14.4
148.06082	6.7
168.06593	14.1
186.07654	17.2
189.85173	5.5
235.67470	5.6
236.46599	5.6
282.51855	6.4
291.79800	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35533	1.1
55.05497	1.2
56.05019	1.3
59.13048	0.9
60.04515	3.2
64.22658	1.0
67.18092	1.1
69.03416	4.3
70.06590	1.5
74.98219	1.1
80.04999	1.9
81.03397	2.7
84.04513	8.4
96.04481	22.5
97.02869	5.7
98.06049	10.1
99.04495	1.5
101.02371	1.1
109.02869	5.8
117.31743	1.2
126.05501	16.7
127.03907	3.9
133.29967	1.3
137.95842	1.1
138.05493	100.0
144.06560	17.0
168.06570	14.1
186.07594	14.4
198.21541	1.5
204.08678	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53146	3.2
54.18985	3.0
57.07064	15.2
70.06577	24.7
71.08623	4.7
84.96356	4.5
88.07620	29.6
97.02846	5.2
102.07372	4.3
102.09139	21.3
122.97191	4.2
140.01796	3.7
280.98062	4.3
340.35690	40.8
402.39407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	11.4
69.63519	6.3
70.06586	17.4
72.08153	15.7
81.03398	11.6
83.06120	7.9
84.04505	17.7
85.02890	13.7
85.71993	7.8
86.09723	36.2
86.74550	7.0
93.64489	6.8
97.02905	13.8
98.29681	7.8
107.04901	11.8
121.06543	8.8
123.97755	9.1
125.04270	8.9
127.03915	16.5
128.06293	8.4
130.04977	7.8
135.08067	18.5
145.05049	11.0
198.50592	8.6
199.00700	8.4
214.12160	8.3
248.14664	8.5
259.19595	7.8
317.50488	8.8
359.13138	28.9
403.11890	100.0
403.15945	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
54.20527	1.3
55.01872	2.6
57.03403	2.5
58.27270	1.5
61.02914	2.9
65.03915	1.9
65.22729	1.5
69.03415	16.4
71.04991	2.4
73.02902	2.7
74.23937	1.4
81.03411	17.4
81.70118	1.5
85.02895	40.4
87.00814	10.3
95.41644	2.1
97.02877	24.7
99.04436	5.4
100.81570	1.9
105.01870	17.1
107.46418	1.8
109.02876	18.1
117.01778	2.0
121.02855	100.0
127.03899	32.1
129.01851	2.1
145.04967	14.2
159.02902	7.9
213.03970	2.2
218.60864	1.6
231.04997	8.3
237.99881	1.9
238.81113	1.9
242.99013	1.7
351.06912	3.3
352.80115	1.9
369.08289	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
90.05548	2.5
99.09560	2.2
104.42742	2.4
122.93185	2.2
136.01071	2.5
159.19797	2.4
192.80852	2.5
242.10110	5.8
266.75500	2.7
287.10944	11.2
310.05032	3.3
404.15250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	16.5
60.45843	11.9
66.47835	11.9
66.52866	13.9
69.03419	41.7
70.36082	14.1
72.08182	16.4
81.03390	26.0
81.07060	13.7
84.04488	42.8
85.02888	87.3
86.09686	100.0
87.00808	19.7
87.56540	16.3
91.05450	20.8
97.02882	49.1
105.01868	44.2
109.02892	24.9
120.82779	15.1
127.03885	67.7
140.97652	14.4
145.04971	35.4
146.11754	23.1
275.16052	16.8
316.43073	18.1
414.77692	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48951	7.5
55.01863	10.8
55.31585	7.5
58.16164	9.9
67.49279	7.8
69.03433	43.8
81.03386	33.9
85.02894	100.0
85.72352	7.5
87.00819	26.4
92.67672	8.5
97.02885	52.6
99.04440	19.7
100.65097	8.7
103.64324	9.3
105.01871	60.4
109.02862	27.9
118.37184	9.1
118.38162	9.3
121.06508	25.8
127.03939	68.1
145.05026	24.7
159.02812	10.6
163.07530	12.4
189.03940	14.5
229.08540	19.0
231.05042	16.7
247.09666	10.9
291.66193	9.8
308.22717	10.4
313.63351	9.9
331.62848	9.3
367.72064	10.5
377.18484	10.0
390.90118	10.9
414.46823	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51351	4.1
54.56515	4.0
56.05040	3.9
57.03423	5.4
57.49975	4.3
69.03418	58.4
69.61397	4.9
70.06602	4.9
71.04972	7.4
78.95702	5.2
81.03397	39.7
85.02896	67.7
87.00827	18.4
93.07036	8.4
97.02888	82.0
99.04439	26.3
105.01859	20.0
109.02901	14.4
121.06478	32.8
127.03903	100.0
142.37004	5.2
145.04944	58.6
151.94272	6.2
169.00850	6.2
170.79950	6.0
231.05026	47.3
249.06068	17.8
277.61230	6.3
279.44058	5.6
323.60260	6.3
364.65140	6.2
419.48465	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00200	2.8
53.03954	3.9
55.01872	5.4
56.58595	2.5
57.03436	3.7
61.02923	4.8
62.59581	2.7
68.99788	3.5
69.03418	33.4
73.02930	6.1
81.03413	22.4
85.02896	100.0
87.00827	26.5
97.02888	25.4
98.64439	3.1
99.04464	9.6
105.01865	46.7
108.04499	3.9
109.02883	22.3
121.06499	23.9
124.67673	3.4
127.03906	50.7
145.04942	20.9
159.02956	9.0
163.07510	3.7
189.04015	5.0
195.08884	3.4
205.08748	3.5
228.16464	3.7
229.08633	5.6
231.05139	10.6
249.06241	4.8
389.47455	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33773	3.9
51.83105	4.3
54.82656	3.4
57.01152	3.5
70.06557	3.6
77.69525	4.2
91.71053	6.7
102.63793	4.1
106.06544	46.6
112.66728	4.5
120.08134	6.8
122.06036	6.4
135.06842	7.6
136.07611	7.8
140.77702	4.0
146.56921	4.8
148.07561	100.0
166.08672	9.7
229.13290	7.7
234.61278	5.9
235.10825	7.4
253.11755	34.2
265.81158	4.5
271.14398	15.1
299.13766	26.2
323.09457	5.2
386.17023	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95190	8.4
67.05478	15.2
69.03416	15.2
70.06579	10.5
73.50580	9.2
75.03809	9.9
75.46488	8.6
82.54743	10.2
83.47129	8.9
85.02886	45.6
91.03937	8.3
97.02888	17.8
100.12347	9.6
105.01907	12.1
106.06562	45.3
109.10189	11.5
109.27190	9.4
110.47706	9.5
112.84227	8.3
120.08099	13.0
121.47603	10.2
123.63181	8.9
127.03899	20.3
129.60208	9.5
132.08049	11.5
136.07582	20.6
148.07558	100.0
166.08614	11.8
206.47665	10.8
217.35631	11.1
229.13377	16.3
235.10715	16.4
253.11787	52.6
271.14270	13.4
294.88330	10.1
299.13907	33.1
386.16904	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05614	0.7
57.04063	0.6
63.40886	0.8
63.41223	0.6
69.03414	1.1
70.06572	3.1
72.08144	13.3
74.06094	0.9
75.83688	0.7
84.04491	5.4
84.08132	2.0
85.02879	0.8
86.06017	1.1
86.09695	1.5
91.05476	5.1
93.07034	5.7
95.04953	2.9
103.05469	3.5
109.02993	0.7
110.20609	0.8
111.49661	0.7
113.01391	0.8
119.04943	3.3
121.06494	100.0
122.06820	1.2
130.05002	3.0
136.07585	2.5
138.09135	24.2
138.10130	0.9
147.04395	16.3
147.07608	1.8
166.09731	2.6
167.10564	1.0
178.91792	0.7
179.10521	2.2
184.69495	0.9
202.08643	1.0
221.11572	1.1
222.12143	0.9
232.14429	1.3
233.81514	0.8
311.60422	0.9
345.19135	11.8
404.26447	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68598	1.7
55.05501	2.3
56.05016	2.2
63.53206	1.7
70.06580	7.0
71.05004	2.0
72.08141	2.3
73.59570	1.9
80.74935	2.1
82.54315	2.0
83.08615	3.8
83.79296	2.0
84.04500	41.9
86.09708	5.1
90.39164	2.1
91.79684	2.2
98.84247	1.9
100.11250	100.0
122.06040	4.1
123.94379	2.1
130.05016	12.7
146.11754	36.3
168.06570	2.9
184.13390	4.7
184.64848	2.7
212.12805	17.6
258.13443	6.7
267.68375	2.4
275.15985	22.7
397.69876	2.5
404.20618	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02698	1.6
60.05658	8.9
60.08155	36.0
62.06080	21.0
67.04263	2.0
68.05035	6.7
69.05814	8.7
70.06587	18.3
75.94647	2.1
84.08181	2.0
86.00654	4.0
86.71196	2.3
91.71078	2.6
100.02227	6.1
107.84236	2.4
116.07116	5.2
116.63825	2.0
118.66992	1.9
119.19044	2.2
127.03253	100.0
134.44597	2.2
150.30054	2.1
162.24686	2.2
175.11896	34.6
186.10571	40.5
207.37283	2.6
230.09557	97.6
354.86618	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	25.8
57.07072	14.0
58.34142	11.3
65.03905	12.8
67.05502	84.6
79.05485	22.7
81.07040	20.4
81.96096	13.6
83.08617	28.6
85.02905	77.1
91.05469	35.8
93.07046	26.0
99.04465	62.3
101.02381	23.6
105.07022	95.6
109.10105	15.9
119.08599	47.9
121.06522	22.5
122.73324	12.2
123.08160	14.4
137.09602	31.7
147.08076	49.3
165.09134	100.0
166.61040	12.5
183.10184	58.0
197.48172	14.8
198.72623	14.6
237.29642	16.2
239.99579	13.7
300.05124	14.6
314.32736	16.9
322.98358	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39647	5.5
55.69242	5.1
58.06598	6.0
60.08157	100.0
60.23351	4.9
61.32672	5.8
69.07064	21.0
69.16365	5.2
70.06610	9.0
72.08148	10.1
84.04494	6.6
84.06972	6.5
86.09693	9.6
108.59283	5.8
119.26556	6.4
121.06527	7.8
130.06580	6.5
132.08064	6.5
133.66083	6.4
159.09186	30.8
167.06056	7.0
185.07130	33.5
188.06998	14.5
203.08212	11.9
404.21872	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.9
56.05004	7.2
67.05484	26.8
69.07059	12.9
72.40755	5.3
81.07036	39.5
83.08601	10.9
84.04498	100.0
85.06547	7.3
91.05471	9.3
93.07071	7.5
95.08628	6.5
102.05540	39.1
105.07037	12.3
107.08582	13.2
108.64372	6.5
109.10142	44.0
109.16322	6.5
113.07777	5.4
121.10126	12.4
123.11711	18.1
127.11266	7.2
128.44139	6.5
130.04993	69.5
133.83104	6.2
148.06030	99.1
162.53183	6.9
189.62561	6.5
209.17738	7.5
221.18919	9.5
237.24315	6.9
328.35220	7.8
368.24472	9.6
386.25458	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28599	12.7
56.96546	35.5
59.76358	12.8
60.05628	17.5
63.48074	13.8
63.88575	13.0
69.03393	16.2
70.06596	78.4
71.08791	14.4
72.08134	34.4
84.04477	40.3
84.08147	16.6
85.02897	27.4
86.09702	22.4
89.87077	14.7
98.97602	87.5
108.08144	17.4
110.09665	21.6
116.07114	21.5
116.98613	44.9
120.08121	46.4
127.20570	19.9
137.09734	29.6
138.09164	88.9
140.00198	66.1
158.01218	26.2
158.70412	19.5
158.99702	20.4
175.11877	32.5
200.02318	38.1
237.02951	16.8
261.12665	18.3
345.11984	100.0
382.05289	18.0
386.14810	72.7
392.44861	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59261	1.2
53.67709	1.2
53.88463	1.4
56.05025	3.0
65.29496	1.4
84.04497	100.0
85.02867	1.9
94.06567	1.4
96.40684	1.4
97.02861	1.7
101.07149	8.9
102.05553	12.2
122.06029	7.3
127.19513	1.5
130.04994	84.4
133.60410	1.6
147.07643	51.2
148.06003	2.7
149.07086	2.4
150.05516	2.9
168.06557	15.0
191.68462	1.7
195.07672	4.9
196.06064	3.7
213.08719	4.7
241.08182	3.8
242.06549	1.8
259.09229	3.9
276.11884	18.9
405.16028	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57032	7.1
57.19292	8.9
68.13831	9.0
70.06612	9.6
77.83617	8.9
81.03403	14.0
84.04482	30.9
93.99742	8.6
94.46599	9.4
96.04481	100.0
97.02959	12.9
98.06040	19.8
102.71352	9.6
108.11935	10.0
113.07545	9.8
125.22871	8.7
126.05511	30.3
127.03899	11.5
144.06561	54.6
157.89714	9.7
172.53964	9.5
207.03835	9.9
218.09238	10.3
247.22626	10.2
370.25644	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54031	4.3
52.22045	3.8
55.25834	3.9
56.96535	5.7
57.07068	10.5
58.06598	5.1
58.65547	4.6
64.24496	5.0
68.76270	4.6
70.06573	30.8
72.08123	7.8
86.09697	9.7
88.07613	6.1
107.41843	5.0
132.10237	11.0
159.55481	5.9
174.28784	5.4
195.82309	5.5
197.70105	5.2
198.96832	5.8
247.88846	5.8
300.29007	34.2
344.31964	12.8
360.62076	6.6
406.35187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06575	33.9
73.51543	9.1
80.62669	6.2
84.04518	10.4
86.09158	7.7
86.09690	7.9
88.07623	17.5
96.04498	19.4
114.09171	10.4
115.33850	7.5
116.13795	7.6
132.10234	25.3
144.06563	14.3
176.12837	11.3
210.34952	8.6
264.41907	9.0
387.67642	9.9
399.75360	8.8
405.78766	9.2
406.35236	100.0
407.24081	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42467	3.0
69.14036	2.9
78.78368	3.0
119.08602	14.9
321.13159	7.7
327.75125	4.6
363.14075	35.6
407.13092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58639	13.7
70.06583	57.1
72.08145	19.4
74.00650	32.0
81.07035	29.4
84.04491	100.0
85.01118	24.9
88.03948	33.4
89.82272	17.2
93.07011	29.9
120.01167	61.0
120.08141	22.7
123.08202	18.1
130.05026	18.2
146.10120	15.2
151.39677	16.6
187.72466	17.6
200.76892	16.7
214.59715	17.9
217.89348	16.8
227.61639	17.2
242.08496	21.7
260.09540	49.1
269.83160	19.2
278.10623	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15229	75.0
58.72670	60.8
62.14455	58.9
158.39491	79.1
194.75523	80.5
243.33046	78.6
295.19452	98.6
349.01785	95.9
366.38351	100.0
367.93680	95.7
403.10211	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25068	4.3
67.58929	4.6
100.73317	5.6
105.22969	5.4
109.90977	5.1
116.80930	5.6
156.16461	5.5
166.07420	5.8
211.39825	5.6
407.23996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	5.2
58.30503	5.4
63.60135	5.0
70.06601	6.5
71.32413	5.5
75.44289	5.6
88.07631	6.3
98.08237	5.7
132.10254	10.8
142.24437	5.5
152.46317	5.9
199.75876	7.3
245.27206	6.1
406.35214	22.6
407.24060	100.0
407.35550	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.6
55.73657	0.6
56.05016	0.7
60.08170	1.2
61.01146	6.3
64.99834	0.7
69.03422	3.8
70.06584	1.0
71.37936	0.7
72.08146	100.0
73.05294	0.6
75.02694	2.8
78.56867	0.7
79.01868	1.3
81.03412	1.2
84.04482	1.4
84.08144	6.4
85.02890	5.4
87.00828	0.9
87.02684	4.3
89.04225	4.2
91.05478	1.1
97.02900	2.5
99.09261	0.6
105.01861	1.9
107.04949	11.1
109.02879	1.4
110.09655	1.0
115.02151	7.6
117.03713	9.3
119.04945	1.7
121.06492	6.8
125.02351	7.8
126.10309	0.9
127.03909	2.7
127.40030	0.8
127.66177	0.7
136.07579	6.6
138.10263	8.8
139.11089	1.4
145.04967	0.9
146.05991	7.0
148.07567	7.2
150.10321	0.7
152.11856	2.3
154.09737	1.3
157.06488	1.1
159.02895	1.2
166.09782	2.7
167.10521	17.7
174.09087	4.7
180.11349	1.4
185.05107	0.9
188.91638	0.7
202.08661	1.2
212.29825	0.7
222.09480	1.9
232.14406	8.3
241.12366	1.1
242.13211	2.6
242.69186	1.1
244.14424	1.1
260.14008	2.0
272.17697	1.1
320.17920	11.5
330.16281	0.9
348.17371	77.5
349.17682	1.7
407.24753	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83747	0.9
67.05496	1.2
68.71530	0.8
68.77321	0.8
70.06614	0.9
72.08109	1.2
84.04485	1.2
91.05479	2.4
93.05785	0.8
93.07005	1.2
94.06556	4.8
95.94096	0.9
108.08105	1.5
122.06007	7.9
126.05494	1.6
136.07565	73.1
137.05968	1.6
140.06987	2.2
143.28734	1.1
147.08057	1.8
153.77446	1.0
162.05434	5.6
164.07048	100.0
165.05371	1.0
165.09045	2.1
205.09778	3.8
211.09602	2.1
251.10234	36.2
269.11295	35.3
288.17102	1.1
396.67603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52471	3.0
53.88381	2.9
60.04498	3.6
66.80134	2.7
67.05487	3.8
67.64454	2.9
69.03405	3.2
70.06576	5.7
71.09685	2.9
72.08143	19.3
73.26363	2.7
74.13556	2.7
84.04498	5.7
84.08154	3.4
84.87662	3.3
86.09710	6.7
91.05471	3.5
91.71101	5.4
94.06549	19.9
96.23304	3.0
109.06535	3.6
122.06043	23.2
129.10255	3.5
131.04935	4.4
136.07616	3.8
137.05974	72.6
137.06960	6.0
138.05521	4.5
164.46870	4.1
165.05457	100.0
166.04984	4.6
180.20647	4.4
206.08138	11.0
224.09366	4.1
226.08675	4.7
252.08621	32.6
270.09683	50.8
348.20874	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04438	1.1
60.08136	1.4
63.01324	0.9
66.40984	1.2
67.05480	1.4
69.03425	1.2
69.07060	1.1
70.06561	1.8
72.08135	3.1
72.69718	1.1
73.49368	1.2
81.03401	1.1
84.04514	1.3
85.02898	1.7
86.09691	4.7
88.92052	1.1
91.05462	2.2
91.71583	2.1
94.06554	6.1
95.04976	2.8
105.04559	1.2
106.08372	1.1
108.08130	1.3
111.05798	1.2
120.08104	2.4
122.06015	5.2
136.06525	2.0
136.07570	73.4
162.05513	5.8
164.07054	100.0
184.07314	3.3
205.09708	3.1
218.44467	1.3
251.10225	39.8
269.11313	38.9
279.56909	1.6
349.20670	2.1
365.12097	5.5
409.11139	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12873	27.6
65.69975	33.0
67.05486	42.5
69.07058	31.7
70.06600	61.9
78.63651	34.4
79.05486	47.9
84.04491	60.3
84.20173	32.9
86.09704	92.8
90.56207	41.5
91.05495	42.2
91.71038	67.6
103.28189	35.2
105.07026	65.6
120.08125	49.3
131.08549	50.3
132.77596	34.4
136.07564	100.0
147.11794	35.0
153.01843	72.5
154.03500	39.9
175.11224	88.8
215.14403	54.5
216.51190	39.1
228.42369	39.2
321.20953	50.1
408.20700	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32601	7.2
54.36272	7.8
54.67046	6.4
56.00351	6.6
56.78518	6.4
60.04524	16.7
61.53752	7.3
64.27438	7.0
69.03422	14.9
69.92900	7.6
70.06581	11.8
72.08142	21.8
81.07047	12.5
84.04492	67.4
85.02898	13.0
86.09698	28.2
96.04458	9.7
97.02898	10.4
98.06042	19.2
107.08527	13.5
109.02886	12.2
118.33429	8.0
120.08109	35.7
126.05495	68.4
127.03905	10.6
138.05484	100.0
144.06532	20.4
147.56129	9.3
153.01843	21.3
168.06544	39.5
180.89194	11.4
186.07600	27.6
194.52055	9.0
338.22467	10.1
390.20999	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23701	4.4
55.01856	4.5
56.11459	4.5
59.42043	3.8
60.04517	100.0
68.05034	21.1
69.03430	9.1
69.07072	16.4
72.04512	28.7
73.02909	5.8
74.02454	20.1
81.03429	8.2
84.04512	14.4
85.02914	16.0
86.06072	7.4
96.04480	34.2
97.02909	17.0
98.06075	16.2
106.23997	4.7
107.26928	5.5
107.60124	5.0
107.62570	4.7
112.03957	31.8
113.02402	17.0
114.05531	79.4
115.03946	10.5
116.07110	5.9
124.03931	35.2
125.02344	25.7
130.05040	6.5
132.06555	52.1
142.04977	78.6
142.05879	6.3
150.07661	20.3
154.04988	6.5
156.06575	15.2
157.31117	4.6
160.06029	31.9
166.05089	6.4
174.07622	7.9
178.07074	29.6
184.06067	7.9
196.08160	33.6
202.07112	54.9
217.85040	5.5
220.08147	78.9
238.09299	14.7
240.87181	5.4
244.38582	5.5
262.09332	10.0
310.56989	5.3
390.21387	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71291	8.7
56.96550	27.1
76.14074	10.2
78.25227	11.1
91.71047	14.6
123.15179	11.9
132.57686	11.4
175.47455	14.6
211.02759	26.0
234.04431	39.0
239.01370	15.6
250.47362	13.9
257.06006	42.9
300.39282	15.4
321.35016	14.1
327.01538	18.2
350.03497	15.1
355.82120	16.7
357.88477	13.7
368.04184	23.8
383.63840	13.4
386.05362	51.0
409.06949	100.0
410.07300	27.0
421.71896	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	20.6
60.08149	21.6
61.95953	7.4
72.08138	13.6
77.56850	7.9
111.91314	9.0
120.08097	18.7
125.02408	12.5
130.06528	47.1
134.95184	9.8
204.25563	11.2
280.71121	10.3
323.07193	14.3
365.08408	17.2
402.73444	10.3
409.07373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52839	6.4
56.96550	33.5
63.45154	6.5
65.30289	6.6
66.64589	7.2
69.07046	21.6
70.06585	14.5
71.85195	7.2
80.66927	7.6
84.96017	9.5
85.02897	10.5
86.88934	8.9
88.74106	8.4
91.71678	21.2
96.94244	9.7
97.02869	8.8
98.97589	35.5
116.98625	15.5
128.98593	15.8
134.19063	9.1
140.00179	23.4
142.63399	8.7
154.01759	11.3
181.02809	10.7
200.02274	10.0
202.05388	9.1
202.64726	9.6
220.06487	10.3
221.04912	17.3
242.03354	17.9
255.18282	9.3
260.04364	14.0
263.70035	9.2
279.91556	8.9
283.06049	13.1
323.08060	100.0
341.09103	50.5
364.10870	16.2
365.08951	45.1
374.60681	10.4
409.09064	14.7
434.98248	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	22.5
69.07058	27.3
70.06580	10.9
70.90858	8.6
72.06328	7.7
72.20061	7.5
77.37843	7.4
78.43592	7.4
83.08585	9.1
85.02895	26.5
97.02934	9.5
98.97578	25.5
99.63943	8.4
114.69424	7.7
116.98598	19.4
120.08112	15.6
128.98631	11.8
140.00209	24.8
143.14305	9.9
158.01231	12.3
161.01280	10.9
181.82402	8.8
200.43817	10.1
216.19559	8.8
237.02771	15.8
242.03320	20.0
244.06335	10.2
260.04498	23.0
283.05893	11.6
323.07999	100.0
341.08997	48.8
364.10590	15.4
365.09152	29.9
409.08679	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68367	2.5
59.43512	2.3
64.38800	2.7
65.79309	2.3
86.09645	3.5
113.59885	3.5
136.07578	6.7
148.35834	2.9
148.61430	3.8
164.07083	8.6
165.07423	6.5
286.76816	3.3
294.57895	3.3
323.11060	4.9
347.10660	3.5
365.12039	30.7
409.11035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09250	10.8
70.06568	33.2
75.21855	11.5
86.09686	41.4
86.10550	13.7
111.91781	14.2
118.83432	13.0
131.11948	13.7
147.04376	24.7
147.59477	15.2
243.47189	14.1
365.11908	31.0
390.10269	19.7
409.10941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44364	6.4
60.97141	6.4
62.87291	6.4
65.99570	6.3
100.54485	6.7
167.77985	8.2
206.94711	7.4
247.09373	100.0
258.84348	9.9
356.43857	9.6
357.92166	9.5
409.14417	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69963	2.1
55.01892	3.1
55.05502	3.3
56.05026	8.3
58.99565	6.9
61.01135	5.0
67.05487	10.2
69.03424	4.4
69.07041	5.2
70.06580	4.2
71.04962	2.6
71.08609	6.3
73.02899	6.3
74.00655	40.6
81.07034	4.2
83.06091	5.8
83.08585	2.8
84.04013	5.1
84.04494	80.4
85.01114	7.0
85.02892	8.5
86.00629	4.7
86.99008	4.3
87.09893	2.8
88.02212	3.5
88.04005	13.3
89.00615	8.5
92.01698	4.5
93.07034	10.8
95.08037	4.8
95.08598	55.1
97.02939	2.9
99.02657	4.5
99.08087	8.5
102.05538	3.2
105.00067	4.7
105.01895	3.1
112.11234	2.7
113.09645	5.1
120.01161	100.0
123.08068	8.1
127.05791	9.0
130.05025	15.0
132.01167	6.8
141.09067	3.6
142.03207	3.1
152.46085	2.8
153.06612	3.4
154.08282	2.6
163.00676	2.8
166.43932	3.3
170.10013	5.7
171.08392	5.0
186.02333	3.4
198.09464	4.3
199.07184	4.0
216.10544	12.9
217.08948	4.2
244.09995	26.7
245.08514	4.2
249.05487	16.2
262.10980	21.5
263.09424	13.9
280.12119	43.1
406.65805	3.0
409.16315	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.1
55.05499	4.4
56.05023	3.1
58.99575	5.1
65.02740	1.8
66.35244	2.1
67.05483	5.6
67.87576	1.9
68.68490	2.2
69.07050	2.6
72.08144	3.2
73.02876	3.8
73.06423	2.1
74.00657	32.5
83.06068	2.7
83.69822	2.1
84.04498	43.3
85.01087	4.9
88.03970	7.8
89.00576	4.7
92.01678	2.5
93.07053	4.4
93.47302	2.1
95.08604	33.5
98.01531	2.2
106.09772	2.5
120.01160	100.0
123.08050	5.3
127.05793	3.9
129.06659	3.7
130.05011	9.3
132.01118	5.3
141.09059	6.1
170.09961	4.0
171.08401	4.1
181.71564	2.5
186.02226	3.9
198.09521	3.8
199.07230	3.0
216.10567	7.3
217.08891	4.4
244.10066	14.4
244.71867	2.7
245.08386	4.2
249.05360	12.4
250.11174	2.9
262.11118	25.4
263.09525	7.6
280.12128	41.9
364.70370	2.9
409.16248	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	3.2
67.13676	3.2
72.08128	4.9
85.02888	12.7
85.06548	9.7
86.09718	6.5
102.41368	3.9
105.01898	4.3
127.03851	5.4
127.07576	7.2
142.07739	4.7
409.18286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26683	6.7
61.79750	6.9
62.53360	8.5
123.11633	11.0
283.65271	9.3
409.25558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14225	8.6
55.31302	7.0
60.85224	7.1
63.25361	8.2
63.32808	7.3
72.87926	8.5
75.05782	7.6
77.65166	7.9
106.56519	8.7
108.83031	8.6
147.69682	8.3
161.99657	9.7
240.19371	9.6
278.13870	9.9
409.25555	100.0
415.82901	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78185	6.6
97.08857	7.4
251.81006	9.7
281.21646	9.3
384.26678	10.1
409.25525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02125	12.8
55.05490	22.4
67.05497	27.0
79.05496	23.4
81.07041	49.1
88.39337	15.8
89.78252	15.9
91.05496	41.8
93.07038	57.2
95.04976	72.5
95.08620	34.0
105.07030	100.0
107.08582	35.9
114.27558	15.5
119.08611	62.5
121.23659	17.1
131.08565	23.6
133.10104	28.1
137.09656	19.3
145.10132	36.7
147.11676	30.8
151.07544	21.3
169.10117	28.5
221.15367	43.4
229.81847	18.2
401.87665	17.1
409.27127	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	37.5
56.16490	12.1
67.05486	43.0
69.07062	22.0
70.07903	12.8
72.62662	15.5
78.47028	16.5
79.05491	24.4
81.07043	58.4
82.63739	15.6
84.50668	13.8
91.05465	63.2
93.07037	94.7
95.04958	87.4
95.08580	55.1
103.30286	16.2
105.07033	100.0
107.08603	21.4
109.06493	19.4
119.08596	94.5
121.10165	27.0
121.52857	16.6
121.69880	15.1
122.95118	15.0
123.08070	24.4
130.00153	14.5
131.08557	30.7
133.10124	47.4
135.08055	17.5
142.07733	21.1
143.08556	22.1
145.10168	58.3
147.11671	59.5
157.10147	21.8
163.11127	16.7
165.09148	22.1
171.11716	19.6
175.11188	36.9
183.11723	17.9
201.12654	22.6
203.14287	34.1
221.15372	87.2
234.16153	19.0
287.20306	18.7
359.86398	17.6
377.47614	16.5
409.27182	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	13.4
67.05482	42.4
69.03413	9.9
69.07026	12.0
70.98640	9.8
72.20756	9.5
79.05470	19.5
79.11602	10.1
81.07038	57.2
85.06528	12.7
91.05462	53.0
93.07034	66.2
95.04962	51.6
95.08607	58.6
97.06553	15.2
104.86391	9.8
105.07024	100.0
107.08564	29.2
109.06524	14.8
109.10108	12.9
114.70312	11.5
117.06976	17.0
119.08575	96.1
120.09451	12.3
121.06492	18.7
121.10159	18.8
123.08073	30.7
125.62322	11.8
129.06984	17.2
131.08578	20.2
133.10120	34.7
135.08078	21.9
142.07770	25.7
145.10129	43.0
147.08005	15.9
147.11681	24.0
151.07579	30.4
151.32088	10.9
155.08531	11.3
156.54092	11.4
157.10121	26.4
165.09145	26.6
169.10237	14.6
171.11707	14.8
175.11086	25.6
181.10191	14.2
187.11172	10.3
221.15346	45.6
248.50854	15.4
250.09807	12.2
264.40814	12.4
278.79999	13.8
303.99686	14.1
345.13129	18.7
409.27081	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	14.2
57.07059	14.0
59.29026	9.1
62.22859	9.5
67.05495	28.7
69.07053	12.7
77.68422	12.9
79.05472	20.2
81.07053	57.5
87.03535	11.3
91.05476	44.3
93.07037	49.9
95.04967	46.4
95.08597	33.4
97.06551	12.8
105.07022	100.0
107.08578	27.4
109.10151	13.7
117.07111	14.3
119.08589	67.3
121.06538	16.1
121.10165	16.6
123.08094	21.8
131.08521	13.9
133.10117	23.9
135.08012	16.6
143.08527	23.3
144.09309	12.2
145.10161	38.1
147.11687	30.6
151.07468	13.7
155.08569	13.7
165.09137	21.4
169.10202	12.8
175.11191	19.5
183.11725	15.0
219.13792	15.5
221.15268	52.5
234.16142	12.2
248.76292	14.3
339.08261	13.3
409.27179	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06836	9.0
57.07068	100.0
67.05481	6.8
67.98517	7.9
69.07043	14.1
71.08615	94.1
72.52413	7.3
79.05463	7.9
81.07072	8.0
85.10162	38.1
89.06006	10.5
93.07038	10.6
95.08591	14.4
105.06988	8.7
107.08572	9.2
112.79533	9.0
126.83898	8.5
129.83353	9.5
146.77998	9.5
151.07520	45.1
163.07478	18.0
165.09116	35.2
177.09067	27.3
179.10603	11.8
191.10809	9.4
195.10416	9.8
195.12292	9.8
232.00940	10.0
250.45761	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24846	4.0
53.03938	4.8
55.01859	8.8
57.03448	4.3
58.06595	20.2
60.11607	4.5
62.40314	4.0
62.79586	4.4
65.74747	4.5
66.46960	3.9
67.05501	5.2
69.03423	43.1
70.06571	11.2
71.05004	4.6
72.08147	6.6
79.05513	5.4
81.03403	21.9
81.07044	21.0
83.65354	4.6
85.02428	8.7
85.02898	100.0
85.06530	98.7
87.00805	23.8
91.07764	5.3
97.02878	39.7
99.04444	12.3
99.39093	4.3
105.01868	51.7
109.02876	32.6
109.06519	11.2
118.52976	4.7
120.08162	7.4
127.03914	57.1
127.07552	43.0
129.01808	7.4
136.07510	5.6
137.07912	4.9
145.04965	17.9
151.07565	8.8
159.02914	8.0
163.03903	7.1
164.06955	6.6
187.08672	7.5
213.08751	5.0
231.05002	18.9
250.28470	5.3
289.86102	5.5
346.17548	7.6
366.12265	9.1
366.94110	5.6
406.65677	5.4
410.11307	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21876	14.2
70.06572	65.1
88.07634	38.9
93.43287	14.6
102.09177	16.9
117.12514	14.8
122.61803	16.5
124.22211	16.0
135.89041	19.9
146.83185	16.0
149.02327	92.2
182.78908	16.0
193.04985	60.2
200.20132	67.8
237.07588	97.0
244.55200	19.4
265.92535	21.3
360.98669	20.6
384.43420	22.4
410.25323	100.0
422.48196	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3061
Annotation	Veratramine
Peak:m/z	Relative Intensity
54.13079	5.1
76.71667	6.7
84.19590	5.6
85.14987	5.4
93.68610	6.3
95.03454	6.7
112.67274	6.0
117.67445	8.5
134.64185	7.5
152.13441	8.2
159.97548	7.1
182.72363	6.6
238.33595	7.9
346.30569	12.0
410.30621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01874	1.6
60.04496	1.1
69.03426	4.7
69.94316	1.5
70.06614	1.4
71.58399	1.3
73.02896	2.2
74.60478	1.3
81.03430	6.7
84.04492	1.5
85.02897	7.8
87.00832	2.0
87.87231	1.4
90.26563	1.3
91.05496	6.1
97.02924	3.1
97.60251	1.7
103.42634	1.4
105.01885	3.0
107.04935	7.2
109.02908	6.2
119.04933	8.0
127.03954	5.8
134.29976	1.7
145.04990	2.1
152.14838	1.8
152.48242	1.6
163.03891	100.0
190.81229	1.6
261.40259	1.5
289.36987	1.8
342.28656	1.7
375.55130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20827	0.7
53.03934	1.1
55.01861	1.7
57.03430	0.8
66.81847	0.7
68.43965	0.9
69.03415	3.6
71.04966	1.3
72.08145	1.5
73.20362	0.8
81.03403	5.1
85.02895	7.7
87.00803	1.3
91.05467	5.0
97.02903	3.4
99.04414	1.4
105.01850	2.0
107.04952	8.3
109.02862	4.3
119.04913	8.1
119.85796	1.0
120.08134	1.6
127.03910	6.3
136.03958	1.2
145.04991	1.5
159.02925	1.7
163.03893	100.0
168.51967	1.0
231.04846	1.2
273.15829	0.9
341.98657	1.0
439.88046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.9
55.01856	9.0
61.02888	5.2
69.03419	11.2
70.06590	8.8
71.04990	8.0
73.32259	4.6
76.81485	4.7
81.03417	8.2
81.07125	5.1
84.04518	5.5
85.02909	36.7
87.00832	5.7
89.03960	7.2
97.02876	13.5
99.04478	8.5
105.01926	7.2
107.04935	7.6
109.02897	10.5
120.08103	5.4
127.03927	14.7
129.01907	6.1
135.04372	13.6
145.02840	6.1
145.04964	5.8
163.03893	100.0
175.08675	7.3
255.53436	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74924	21.6
58.48958	23.6
68.67039	23.3
69.03416	44.7
70.06578	49.1
81.03410	26.0
85.02888	81.9
87.00836	28.1
87.46166	27.9
97.02879	51.4
101.86692	27.3
101.97390	28.7
105.01846	34.4
119.04874	36.3
127.03902	66.7
136.49316	26.3
140.18549	31.8
147.04449	70.6
147.06534	37.6
150.99475	26.7
160.30672	27.6
196.80563	26.8
246.20862	27.0
263.06680	28.0
283.12714	94.3
295.06561	30.0
412.16766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04018	7.5
57.03428	9.7
69.03433	40.1
69.07065	75.1
71.41238	6.2
81.03402	30.2
85.02898	100.0
87.00813	29.6
91.71574	7.0
97.02895	33.5
99.04456	19.6
105.01856	57.5
109.02874	44.4
111.11716	27.3
127.03905	80.4
129.12775	20.7
130.06537	7.4
142.78825	6.3
145.04944	9.8
147.13826	24.7
159.02916	8.0
193.14540	6.6
231.05043	26.1
388.22211	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.223
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
51.82637	1.1
55.05492	3.8
55.13476	1.0
58.77548	1.0
72.08142	42.6
72.08536	2.7
73.37135	1.0
84.04482	1.9
86.09661	1.2
93.07059	1.3
95.06758	1.3
96.78461	1.3
97.06467	1.3
103.05457	2.0
120.08092	100.0
126.66058	1.2
130.06529	1.7
137.96602	1.3
166.08647	2.6
219.14909	25.8
227.58293	1.4
247.14383	8.0
410.99905	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09612	1.5
56.23634	1.5
72.08145	30.7
89.95557	1.8
97.06508	4.1
111.98988	2.0
112.66138	1.7
121.73256	1.9
124.07655	1.9
130.06522	100.0
132.08105	4.0
137.90372	1.9
138.10249	2.7
144.08109	4.9
149.42117	2.2
154.09747	38.4
159.09154	10.1
161.48232	2.2
166.52412	2.5
168.40031	2.1
175.50177	2.3
185.07080	7.1
227.15495	4.2
240.14996	2.9
261.59515	2.1
267.15820	2.2
283.15524	50.5
283.18555	3.6
319.74442	2.1
325.23724	12.8
346.43451	2.0
353.23322	25.9
412.30640	8.6
438.92786	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.307
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55782	3.0
70.45989	2.9
72.08148	100.0
72.08526	6.2
80.18632	2.9
91.80276	2.7
97.06593	5.9
99.09251	3.2
106.94040	2.9
130.06525	83.7
132.08110	4.9
138.10310	13.5
144.08104	13.7
154.09729	28.4
159.09222	13.0
167.07312	3.4
168.08165	3.1
196.18158	6.2
224.17650	4.5
227.15494	10.7
255.15926	6.4
267.16055	4.9
283.15579	23.1
325.23816	36.2
353.23291	84.5
354.23755	4.1
412.30646	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92407	8.2
56.96554	91.4
68.89289	9.1
78.62659	9.4
83.30009	10.0
84.95992	13.9
85.02905	12.9
97.99181	12.1
98.97599	71.0
108.88566	11.1
110.97597	12.9
116.98631	30.1
128.98616	18.1
131.43787	10.9
134.99693	19.1
136.84636	9.7
140.00175	60.6
148.69373	11.8
151.85229	10.8
152.00220	27.1
158.01262	27.0
161.01222	13.3
170.01312	11.9
181.02759	17.2
182.01245	26.8
184.02870	16.1
198.38867	10.9
200.02359	12.3
242.03317	35.9
260.04474	34.5
283.06134	23.3
343.00534	16.3
353.05518	61.1
394.07941	100.0
406.53845	12.1
413.06937	24.8
435.10751	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30112	1.8
61.02923	1.7
63.68741	2.0
65.03942	1.9
69.03408	11.2
71.04977	2.5
72.08140	14.1
73.02935	1.9
81.03439	8.6
83.00234	2.1
85.02890	23.9
86.09705	2.3
87.00841	6.8
87.90186	1.9
91.05474	13.4
97.02881	12.6
99.04456	3.5
105.01896	8.1
106.75846	2.0
109.02859	10.3
109.85300	2.0
117.07014	2.4
119.04935	25.9
119.05624	2.2
127.03929	12.0
130.06506	18.6
131.06876	3.3
138.11510	2.3
145.05019	5.3
147.04407	100.0
148.04796	2.6
154.09857	6.0
159.02948	2.7
159.09282	2.3
165.05540	4.5
189.05522	4.0
246.61955	2.3
283.15570	4.5
317.26779	3.0
325.24173	3.5
353.23535	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1414
Annotation	t(6)a
Peak:m/z	Relative Intensity
58.36694	0.8
60.43747	0.6
63.20065	0.6
74.06059	2.5
74.35290	0.7
74.56577	0.7
92.22570	0.7
102.05532	0.9
108.11144	0.7
119.03534	2.0
119.26775	0.7
120.06561	7.3
136.06180	100.0
137.04561	2.0
147.04427	1.7
162.04103	51.9
163.46341	0.8
224.26102	1.0
281.09903	35.1
362.68195	0.9
363.35791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63127	1.8
54.87616	1.7
55.01888	1.7
56.96557	2.4
60.04518	15.2
64.14233	1.7
65.03918	2.3
67.81432	1.6
70.06582	100.0
72.08143	7.1
75.56988	1.6
79.60452	1.9
85.02892	4.1
86.09698	61.0
86.10208	4.2
86.55125	1.8
91.04966	1.8
91.05435	8.9
91.99290	2.1
97.02879	2.5
116.07108	11.8
119.04935	16.7
127.03909	2.7
130.06531	11.1
131.06863	3.1
147.04396	85.5
148.04688	3.1
154.09808	3.5
157.09723	28.3
181.25381	1.7
183.14935	4.4
183.20041	1.7
184.07327	3.3
185.09215	17.7
229.15414	5.2
230.14203	1.9
284.07135	2.6
284.16031	2.5
298.17548	16.6
403.91495	2.1
413.11307	3.0
413.24039	3.6
435.58691	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35697	8.7
55.00258	7.8
55.05489	7.9
55.77509	8.1
57.07055	17.7
67.05488	34.3
69.07056	23.2
71.08605	12.3
79.05470	12.6
80.36558	8.6
81.07034	20.7
86.09734	10.6
91.05492	16.3
93.07030	32.6
95.08612	100.0
105.07050	15.6
107.08599	17.4
119.08558	18.9
135.08035	14.8
137.09598	24.0
149.05975	29.2
163.07538	17.3
167.07048	47.2
261.18555	17.2
263.98834	10.8
277.21783	23.8
279.19492	14.0
282.29657	14.0
303.19525	18.6
371.29214	11.7
372.26111	12.9
413.30362	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3048
Annotation	Diospyrolidone
Peak:m/z	Relative Intensity
53.91098	2.1
55.05492	6.9
56.00112	2.7
57.07052	9.0
67.05490	4.7
69.07061	17.8
71.08630	6.5
79.05475	5.3
81.07043	20.3
83.08614	14.0
91.05460	8.6
93.07013	11.5
95.04948	3.0
95.08580	9.0
97.10133	4.3
107.04953	3.9
107.08604	13.8
109.06517	11.3
109.10136	2.9
109.96049	2.5
110.58517	2.5
119.08534	6.3
121.06511	14.8
121.10146	6.1
131.08495	4.4
133.10150	3.5
135.08041	9.9
145.10100	4.0
149.09596	5.9
157.10101	4.3
159.07967	3.9
159.11708	6.5
159.19232	2.9
161.09608	4.8
163.51091	3.0
171.11659	3.0
173.09590	5.3
175.11246	3.7
186.76227	2.8
215.12845	3.1
230.80681	2.8
245.11882	3.6
245.15208	7.4
259.16855	18.2
269.15439	3.2
273.14755	19.5
395.29108	4.4
405.09003	3.1
413.30447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21154	13.9
54.96461	15.5
55.05724	16.9
69.03420	37.6
70.06570	30.1
71.04987	26.3
81.03410	24.8
85.02898	100.0
86.09711	23.7
87.00823	34.4
91.71081	20.7
97.02872	44.6
103.07553	52.6
105.01857	56.5
109.02907	38.7
113.05996	33.7
127.03914	43.6
131.07050	43.3
140.69606	17.9
144.10175	21.4
149.08017	33.4
159.56010	19.5
211.20251	18.1
225.62022	26.0
267.81696	19.4
298.47537	22.4
422.28513	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24438	19.6
54.75614	20.9
55.05507	29.4
57.07062	33.0
59.07997	23.6
64.22166	24.1
67.05482	32.9
69.07055	92.6
70.49915	26.8
70.99164	23.8
71.08641	24.2
79.87917	23.3
81.07044	65.3
81.70441	27.3
83.08635	28.5
84.04490	100.0
93.07017	28.1
95.08602	81.5
97.10102	29.0
102.05560	43.9
105.06986	26.4
106.99494	27.7
107.08620	31.3
109.10170	52.9
116.90543	24.7
123.08086	30.7
123.11695	33.9
130.04933	41.5
138.03677	25.4
139.11044	30.7
147.11710	49.3
158.58414	31.2
169.75961	26.1
172.75714	29.7
203.17966	60.7
221.19029	69.8
243.80322	27.0
249.18546	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73645	42.0
55.19576	35.7
60.04512	96.6
66.30762	50.4
66.60462	43.6
70.88775	39.4
73.88254	43.1
89.75506	43.4
91.71533	45.9
97.84064	44.2
105.06955	60.9
106.05019	100.0
117.62814	46.1
127.12994	46.6
127.92065	52.5
154.40109	47.7
199.14946	50.7
238.40251	55.8
288.72662	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0038
Annotation	1-Deacetoxy-8-deoxyalgoane
Peak:m/z	Relative Intensity
51.66702	6.7
53.83846	5.4
63.77979	5.9
86.24038	6.6
88.40739	6.4
94.93026	8.0
99.97915	6.7
125.97315	8.3
136.94017	18.2
196.54408	7.5
199.50212	7.9
245.79887	9.3
354.98297	33.9
366.20612	8.9
378.63565	8.9
385.05267	8.2
395.88965	9.5
400.48132	8.3
415.00412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80524	6.0
60.08151	7.7
67.58979	5.7
70.06584	27.2
72.08148	57.0
72.80768	6.3
73.06573	7.1
73.08464	18.3
77.68024	6.2
85.26464	7.0
86.09679	13.9
118.75037	6.7
130.06526	100.0
131.06863	95.1
132.07227	37.1
154.09779	28.0
155.10081	26.0
160.09537	9.2
167.06827	11.1
283.15668	10.4
284.15887	49.7
285.16095	55.2
298.69888	9.1
327.24463	17.1
354.23621	15.3
355.23776	43.5
356.24332	10.1
371.12979	36.4
414.31537	26.9
415.12030	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07948	3.9
70.06565	21.3
72.08139	64.6
73.08466	19.8
84.08156	6.4
86.09695	11.6
100.16608	4.2
100.28517	4.2
107.33761	4.7
108.12402	5.0
126.10280	5.9
130.06525	37.0
131.06856	27.4
132.07191	9.8
139.29965	4.9
145.08397	6.3
154.09714	7.9
155.99728	5.3
160.09480	4.6
161.02950	5.2
167.06810	7.8
199.04709	5.5
229.16200	5.0
245.06319	10.1
284.15854	6.7
285.15942	10.4
329.11795	6.9
332.90915	5.2
355.23987	33.8
356.24402	10.4
371.13062	53.3
414.31262	9.2
415.12045	100.0
415.17172	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	5.9
57.73096	6.0
69.18430	5.5
70.06564	6.0
74.00673	7.2
74.98225	5.8
75.02672	6.8
76.97630	5.8
78.84792	5.1
80.08633	6.0
81.03445	6.8
84.04501	41.6
86.09718	9.6
97.02834	6.5
123.04368	9.9
135.08052	9.7
143.11719	7.4
163.07526	58.8
164.08339	17.0
197.06302	100.0
219.10509	7.1
258.04095	6.3
286.11047	28.7
415.15540	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25889	17.9
70.06593	60.4
72.08150	26.4
75.01944	22.7
86.09707	100.0
110.23791	23.9
121.10167	39.5
141.63159	24.1
142.37360	27.2
150.61984	27.8
275.46088	30.1
415.15634	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69404	23.6
69.03416	59.5
78.42179	25.3
79.05496	25.6
81.03404	97.4
81.07040	56.1
85.02898	88.6
85.80039	28.7
86.09684	35.3
91.05479	27.5
93.07034	100.0
95.04990	29.7
104.99243	29.8
105.07026	33.2
109.02882	58.7
119.60548	27.6
121.10189	45.4
127.03898	80.2
149.09605	41.8
160.58389	29.3
193.96671	27.2
330.15411	30.7
353.15747	55.3
415.15616	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86744	1.3
56.32000	1.2
80.81049	1.1
82.18382	1.4
84.55360	1.4
85.02877	1.4
91.05474	7.1
91.71675	1.4
93.07018	1.4
101.53048	1.4
107.08585	1.6
109.04863	1.3
117.07067	2.8
119.08574	100.0
245.26051	2.1
277.50201	1.8
374.22885	1.8
439.95627	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55607	0.8
67.91679	0.8
69.03397	1.5
91.05463	7.8
100.32526	0.8
104.06245	1.0
107.08588	2.4
113.57316	0.9
117.07043	2.1
119.08578	100.0
135.08005	2.2
328.13104	1.0
352.52545	0.9
394.98087	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83197	1.1
56.96547	1.0
63.74446	0.8
80.94778	1.2
86.09705	1.9
91.05469	7.5
93.07040	1.2
97.37140	1.1
107.08636	2.0
117.07004	1.2
119.08573	100.0
120.94709	1.0
155.78371	1.1
202.69162	1.2
355.81845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31532	4.3
54.31807	6.0
56.83752	4.6
58.06578	5.3
60.08160	100.0
69.03424	6.5
69.07035	5.9
70.06596	28.6
70.06894	4.8
72.08142	7.2
84.04483	41.7
85.02883	6.3
86.09704	88.0
91.50034	5.6
93.76781	6.1
97.06519	18.7
105.92757	5.9
111.20666	5.0
130.04987	26.6
147.07649	11.4
182.15404	9.9
204.78761	6.1
241.22754	15.5
269.22400	7.7
276.81549	7.3
415.29050	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3204
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
50.13849	3.1
54.12927	3.9
55.05498	4.1
57.07048	5.4
57.69201	4.0
69.07074	5.7
79.05499	5.3
81.07047	7.2
83.08606	7.2
91.05470	9.2
93.07024	15.8
95.04967	4.3
95.08585	5.4
104.61088	3.7
107.08580	10.1
121.06454	7.9
135.08044	5.2
149.09604	5.3
159.60605	5.1
176.50015	4.0
179.63081	4.1
219.38068	5.0
261.18369	5.1
289.21542	32.3
415.32050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66850	19.9
59.28201	22.7
67.05480	17.6
67.96198	20.2
69.07047	34.8
71.98332	22.8
81.07054	30.2
95.08598	42.4
107.04872	24.0
111.13805	23.8
119.08582	48.5
151.49924	25.8
196.98752	28.4
279.53629	26.5
327.67786	24.3
349.15833	24.5
349.52771	27.8
415.35599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
55.01858	10.9
56.03852	2.6
57.03414	8.5
61.02906	5.2
68.99783	3.1
69.03419	32.4
71.04969	4.0
73.02903	9.2
75.07945	2.6
81.03405	30.8
85.02891	100.0
87.00813	22.7
94.52012	2.9
97.02876	33.9
99.04479	15.8
103.03957	3.3
105.01857	32.8
108.04464	9.3
109.02863	33.1
126.05506	6.3
127.03918	61.6
129.01759	3.1
145.04926	33.5
147.02936	4.5
159.02893	21.1
165.57410	3.6
189.03947	4.7
231.04996	13.0
263.34201	3.0
377.00922	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01570	4.1
55.05515	5.3
60.08155	45.5
63.13110	3.4
72.08148	60.9
83.04972	20.3
85.52174	3.6
89.10804	7.7
100.11256	12.4
110.06038	4.7
112.85478	4.3
127.00640	4.0
130.06523	74.5
132.08121	5.7
144.08073	8.3
155.08185	8.0
159.09135	30.0
170.06033	8.6
179.62421	4.5
185.07098	18.4
199.08664	8.1
241.13318	11.7
255.01263	4.3
271.32645	4.6
300.20581	5.2
357.22800	8.1
385.61847	4.9
392.53088	5.1
411.56989	4.7
416.30170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17582	2.9
56.07640	3.1
64.61343	3.3
65.20934	3.0
66.00014	2.9
79.91165	3.7
86.18620	3.8
105.42162	3.9
107.74212	3.7
108.83272	3.6
182.91333	4.0
193.81273	3.6
233.16571	5.0
276.17572	4.7
320.80923	4.0
331.17102	8.4
373.18149	28.7
417.17252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49696	6.0
70.06568	11.2
70.87807	6.0
85.56073	8.2
86.09687	25.0
116.74731	6.2
118.30257	6.6
121.90940	6.9
123.63927	7.3
130.20866	6.9
185.45204	7.7
281.23871	7.9
319.90201	7.4
326.80560	7.7
346.93573	8.4
373.17896	12.5
417.17273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73545	9.8
55.05505	19.2
59.92463	9.1
67.05495	57.1
69.07044	25.2
73.77644	11.0
79.05488	18.4
81.07043	77.8
91.05465	45.9
93.07016	62.2
95.04958	13.0
95.08604	52.4
98.98457	29.8
105.07035	87.8
107.08585	68.2
109.06511	100.0
109.10184	45.8
117.07037	14.9
119.08578	78.4
121.10175	74.4
121.39867	11.8
131.08568	42.7
133.10161	83.3
134.82899	13.3
135.08069	27.3
135.11708	32.0
140.46841	12.5
142.07764	26.8
143.08572	28.1
143.81020	12.4
145.10083	60.4
149.09694	22.0
155.01035	30.3
155.08551	21.4
157.10132	54.3
159.08098	15.3
159.11646	15.1
161.09625	25.8
165.06970	13.3
167.08540	12.2
169.10172	28.9
171.11670	32.0
173.09550	13.0
173.13290	29.6
175.14944	18.3
183.11697	17.6
185.13277	18.6
187.14850	23.6
195.11624	16.8
197.13277	14.1
199.14862	25.2
207.11736	20.5
209.13385	27.0
211.14778	14.1
223.14836	19.0
227.14262	13.8
249.16609	13.2
304.83252	14.5
417.27740	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38948	13.3
55.05495	27.5
65.03970	13.4
67.05490	63.6
69.07044	20.9
69.35720	13.0
72.37358	12.7
72.91708	13.5
79.05497	23.8
81.07052	89.9
83.08603	20.4
91.05478	53.7
91.71716	14.7
93.07041	68.1
95.08614	84.9
98.98471	48.0
105.07040	73.5
107.08591	58.9
108.36489	14.9
109.06490	77.4
109.10134	52.7
111.49731	17.1
119.08553	73.8
121.10148	72.1
123.11737	28.6
129.06989	19.8
131.08585	32.2
133.10115	100.0
135.11714	53.3
143.08560	26.5
145.10117	37.2
147.04405	54.1
147.11691	19.9
154.88028	15.3
155.01064	48.8
157.10158	25.9
161.09633	36.4
171.11650	24.8
173.09613	15.0
173.13327	22.3
175.11133	20.2
181.10129	23.7
183.11758	19.0
185.13220	19.6
187.14832	27.5
195.11702	29.4
197.13210	20.4
209.13194	36.7
225.12947	18.1
235.54485	16.6
307.20624	18.9
399.26675	26.2
417.27756	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59759	4.9
53.03923	5.6
53.65538	5.0
57.03418	10.3
57.16397	6.4
57.46009	5.6
58.06585	6.7
61.02930	7.0
62.72231	5.7
63.07499	5.3
69.03421	68.9
70.06565	12.0
71.05003	9.0
72.08157	15.1
81.03417	32.8
83.71493	6.2
85.02900	65.6
86.09708	10.8
87.00829	13.3
97.02895	100.0
99.04446	29.3
105.01862	21.7
107.04959	7.9
109.02869	26.5
114.96247	5.9
119.04882	7.0
120.13084	6.8
127.03922	91.0
129.38225	6.3
145.04945	74.5
147.04381	15.9
193.34871	8.2
231.04977	41.9
249.06227	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52698	10.2
64.20227	6.7
65.86160	6.3
69.03417	42.6
73.02914	8.6
76.17931	7.4
80.12154	6.5
81.03405	28.3
85.02893	100.0
87.00821	34.7
97.02887	46.2
99.04455	20.3
105.01855	46.7
109.02871	21.8
127.03912	76.7
145.04927	42.3
158.60849	8.4
159.02931	15.1
171.24187	9.5
189.03900	10.6
231.05049	14.9
265.36072	9.4
326.25491	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85722	7.0
67.05485	8.5
67.35649	7.1
76.84338	6.6
80.94395	8.2
81.07053	12.0
83.35161	7.2
84.04500	97.3
85.02889	11.0
85.37177	6.6
96.04477	22.9
97.02858	7.6
98.06045	15.3
99.04395	7.5
126.05504	90.6
138.05507	100.0
144.06566	23.8
168.06438	20.2
186.07576	23.4
349.87747	9.6
425.84164	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34868	28.4
56.96565	37.7
58.83558	37.2
60.04519	91.2
67.05511	41.1
75.11589	35.8
76.36774	35.2
85.09712	35.5
106.99980	39.9
114.05524	100.0
138.38512	38.0
142.04965	53.6
160.05952	53.1
182.76563	45.6
184.05872	46.4
202.07106	48.7
213.45688	40.9
220.08333	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02253	3.2
51.27700	3.3
53.26868	3.7
55.05507	7.6
56.05022	7.7
67.05484	17.0
69.03418	5.4
69.07044	13.6
71.04990	4.0
71.68125	3.5
79.05478	7.0
81.07043	45.8
82.19650	3.8
83.08608	8.2
84.04498	100.0
85.02901	5.3
88.35387	3.6
91.05462	7.7
93.07030	20.3
94.07912	3.9
95.04953	6.1
95.08596	47.8
97.06519	7.2
99.08092	5.0
102.05540	51.1
105.07037	26.4
107.08598	21.8
109.06563	5.8
109.10148	24.1
111.08057	8.8
119.08559	27.6
121.10110	9.2
123.08066	16.8
125.05993	17.2
125.09671	12.6
126.05508	12.1
130.05032	31.5
131.08496	5.6
133.10085	21.2
137.09616	8.1
138.05518	15.7
139.07498	26.5
143.08578	8.5
147.11737	16.6
148.06038	42.2
157.10114	13.1
159.11728	8.0
161.13271	17.3
163.11142	6.0
175.14749	5.6
177.12767	13.6
189.16367	76.2
199.14819	26.7
207.17418	12.0
217.15846	44.7
235.16888	95.3
235.19096	7.2
253.17894	10.6
336.21692	13.6
364.21146	10.6
382.22202	75.0
400.23303	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22897	9.5
50.26641	9.3
57.90218	10.5
60.93637	13.0
63.53239	12.5
65.74673	13.5
67.05504	15.4
69.07057	11.6
81.07052	26.4
83.08584	14.7
84.04496	100.0
85.97933	12.5
91.05492	15.3
93.07024	15.8
94.79618	12.5
95.08598	33.2
102.05540	50.5
105.07035	17.8
109.10188	15.6
119.08549	21.8
125.05968	29.7
125.09631	19.3
130.05003	16.8
137.32004	16.1
139.07487	13.1
148.06030	51.6
189.16396	29.2
217.15872	32.5
235.16887	37.5
306.39151	14.2
382.22116	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83600	25.4
67.05489	33.9
69.07071	48.4
75.12891	27.0
81.07047	40.5
83.08166	32.9
83.08658	29.3
84.04498	100.0
89.73913	30.3
95.08623	79.3
102.05580	70.7
107.08553	30.7
109.10176	66.7
123.92279	33.3
130.50215	30.1
148.06145	58.4
175.58510	31.1
305.89853	29.8
400.23206	39.6
416.54013	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90482	6.1
55.01864	7.8
55.05492	6.3
57.03434	6.4
60.04520	79.2
61.13498	6.1
64.27001	6.3
64.57954	6.5
67.05495	8.1
68.05023	11.7
69.03419	20.5
69.07075	7.1
69.75120	6.3
72.04523	41.1
74.02467	7.9
79.05469	7.7
83.08598	15.0
84.04501	17.8
85.02892	10.8
90.48638	6.9
96.04514	37.2
96.68145	6.2
97.02901	20.3
98.06013	9.2
112.03970	16.2
113.02370	15.9
114.05528	94.3
120.21841	8.7
124.03961	17.7
125.02348	25.7
127.50062	7.9
130.98151	7.1
132.06567	42.6
138.70961	7.3
142.04976	65.4
150.07617	27.5
160.06107	27.4
173.42191	7.8
178.07146	35.1
196.91283	7.8
202.07033	76.8
204.03831	9.0
215.84334	10.8
220.08141	100.0
272.30450	7.4
289.73065	8.1
306.61066	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22040	2.6
55.05516	2.8
68.05025	3.5
69.00365	3.0
69.03416	8.0
70.06580	7.9
76.52483	2.8
80.47600	2.9
81.03394	4.9
83.18440	3.0
84.04499	19.3
84.95199	2.7
85.02894	7.5
96.04510	21.2
96.05025	3.3
97.02882	7.4
98.06046	12.8
109.02885	9.2
118.59328	3.8
126.05517	29.7
126.06409	5.1
127.03875	5.1
138.05487	100.0
144.06548	23.2
168.06551	23.3
186.07597	23.1
203.10233	3.8
204.08682	5.9
365.29059	3.6
421.69794	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96648	3.1
60.04509	6.6
69.03417	9.7
70.06590	4.6
81.03437	6.2
81.07051	3.9
84.04507	15.0
85.02914	7.6
91.71633	4.9
96.04507	19.1
97.02918	8.6
98.06087	9.7
109.02929	5.9
112.25405	4.7
126.05556	19.9
138.05492	100.0
144.06615	16.6
163.06041	4.6
167.65773	4.2
168.06604	15.1
186.07620	22.2
204.08817	5.9
371.29352	4.8
428.54324	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	10.0
59.74114	4.6
65.17747	4.6
69.19170	5.7
70.06580	37.9
72.08126	5.0
82.03693	5.5
85.10145	6.0
86.09731	9.5
87.04584	5.4
88.07603	8.6
89.88581	5.9
130.17360	5.9
132.10191	21.3
146.11758	9.1
310.02542	6.8
332.72052	7.7
356.35083	44.1
418.38968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32862	9.4
54.69657	9.7
58.70998	9.7
58.73282	9.9
65.03904	16.2
69.03414	15.7
71.94341	9.9
77.82526	10.5
80.01350	11.1
81.03394	32.6
85.02887	43.3
86.09686	29.2
87.00830	17.4
91.24799	12.8
97.02860	16.5
105.01876	12.4
109.02850	14.8
111.04433	73.9
127.03890	14.1
130.46362	13.5
135.01567	13.2
136.64310	11.1
139.03906	100.0
149.02347	16.1
167.66342	12.9
170.05733	18.2
171.06491	96.2
174.14597	12.7
195.01170	14.6
197.16966	13.1
325.58655	13.6
401.19772	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	100.0
60.90986	3.8
66.44659	3.3
70.06554	3.6
72.08092	3.8
80.04419	3.7
86.09696	4.0
90.20442	3.6
97.99170	33.5
98.97558	10.9
100.99143	42.1
105.07028	3.9
106.05035	4.9
116.98679	9.2
119.00200	19.3
138.27986	4.3
139.01811	8.6
140.00217	9.2
142.01787	15.8
143.00206	10.2
161.01221	26.6
175.11154	9.3
179.02292	28.4
184.02771	20.7
187.02812	6.1
197.03319	14.9
202.03848	34.3
203.02292	8.2
205.03732	7.7
207.04469	11.4
210.04352	4.7
220.04962	8.8
221.03458	6.8
225.05547	14.4
228.05528	6.9
229.03957	12.1
243.06631	4.3
244.04996	5.0
246.06538	5.2
247.04890	39.7
263.78894	4.2
265.05920	6.5
270.06467	90.9
282.86911	4.5
287.94302	4.3
288.07532	9.5
289.06183	6.2
311.09076	12.8
333.08548	29.8
373.16547	4.9
375.09683	12.5
381.30316	4.8
419.12152	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97080	6.0
55.05502	17.2
55.87020	7.5
57.07061	9.7
64.14435	7.9
67.05174	6.5
67.05499	39.5
69.07060	29.8
71.08591	9.5
79.05501	11.2
81.07047	35.0
83.08611	14.1
93.07037	19.0
95.08589	31.3
98.98463	70.5
109.10156	13.5
114.10057	8.5
121.10105	12.0
135.11697	13.3
155.01036	100.0
242.45200	10.1
265.25452	19.4
295.80353	10.5
353.23022	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.4
52.06504	1.0
52.51257	0.9
53.03930	4.2
54.87836	1.2
62.10178	1.1
65.03932	7.5
67.05474	1.9
69.03412	4.9
77.03917	2.7
77.90744	1.2
81.03410	5.3
81.07037	3.9
84.04487	1.4
85.02890	11.9
86.09692	3.4
87.00838	3.0
91.05473	100.0
93.03400	17.4
93.07036	36.5
95.04963	24.1
97.02898	8.3
99.04485	3.7
104.19405	1.5
105.01860	4.6
105.04522	2.5
107.60375	1.2
109.02856	6.6
109.06506	5.7
118.06573	3.7
119.04940	24.8
127.03877	8.7
132.08115	1.9
137.05977	33.6
145.04926	2.7
159.02942	2.1
161.84297	1.5
169.23892	1.4
173.12910	2.1
184.08698	1.5
231.05048	2.3
273.34369	1.4
333.05283	1.4
367.10040	3.3
382.63513	1.5
433.47589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53626	5.0
55.05509	7.7
56.05028	12.1
57.07081	4.9
58.78897	4.9
61.01143	6.7
67.05505	14.7
69.03421	9.1
69.43238	4.8
71.64100	6.4
76.02213	11.9
81.07033	9.7
84.04507	45.3
85.06554	10.0
86.00645	7.0
86.09694	100.0
91.71674	6.6
95.08613	23.3
102.05557	12.7
109.10173	14.2
112.11252	10.1
116.01691	10.6
127.03912	7.2
129.63263	5.5
130.05043	21.6
137.09596	76.4
142.03223	7.5
148.06017	13.5
162.02211	14.0
164.22623	6.5
170.09964	9.9
170.11839	7.1
173.41777	6.4
184.74570	5.8
199.87717	7.2
200.05147	6.9
215.63673	6.8
217.46625	8.1
225.10680	6.6
255.94183	6.8
273.12610	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00131	21.1
56.94460	23.2
60.56516	23.1
62.36665	24.0
63.65099	23.2
71.47459	23.9
71.55891	23.5
84.04491	77.9
87.77271	26.3
104.99231	31.9
114.39809	32.6
114.52622	29.2
125.28468	32.1
126.05526	100.0
138.05476	73.0
152.20224	32.0
163.29674	31.1
184.30121	27.7
188.92223	29.3
222.68565	39.0
236.42078	31.1
238.29417	28.4
387.63342	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16944	3.3
69.03437	4.0
81.03399	4.3
81.45985	3.6
84.04493	49.6
91.15054	3.4
95.39957	3.7
96.04482	25.9
96.93616	4.5
97.02871	5.9
98.06059	12.7
109.02874	4.6
126.05499	50.0
126.38548	3.9
127.38307	4.1
138.05493	100.0
138.61847	4.2
144.06580	21.9
161.79295	4.8
168.06516	23.9
186.07584	23.3
197.30991	4.6
204.08716	5.8
402.50403	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1339
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	11.3
55.60583	3.9
61.62411	3.4
63.23911	3.6
69.03424	100.0
70.06584	12.2
71.04997	7.1
71.17635	3.8
72.08542	4.1
76.32163	4.2
81.03416	51.5
84.04492	5.7
85.02908	30.5
86.14870	4.4
87.00834	8.0
87.04465	52.0
87.08305	4.2
91.70960	9.3
99.04462	14.3
104.05350	4.4
105.05507	30.4
109.02876	35.1
127.03938	58.2
127.04834	7.2
128.54614	4.9
130.52473	4.5
132.36896	4.0
142.51054	4.4
173.49835	5.3
191.09198	6.9
379.03955	5.4
379.50464	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10857	7.7
66.78741	7.9
67.77549	11.4
91.76333	9.4
110.01499	8.8
111.88385	8.8
111.89166	10.3
115.45988	9.4
161.40140	10.1
206.55901	11.2
271.04437	14.1
278.62173	12.1
314.42114	14.2
421.14639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.3
56.05006	6.4
57.07077	7.6
67.05494	19.5
69.07056	26.3
70.06556	5.3
71.04996	36.0
71.08614	9.9
74.00664	5.5
76.02213	9.2
77.46883	4.8
79.05476	18.9
81.07040	13.0
83.08591	8.9
84.04490	100.0
86.98992	6.9
88.02145	6.3
88.03979	11.6
93.07048	19.2
93.70877	6.6
95.08596	15.9
97.06525	59.1
99.08096	13.1
107.08587	14.7
109.10149	24.3
120.08106	24.7
122.02702	30.0
126.03693	8.8
130.05019	23.3
135.11714	10.1
153.12749	53.4
171.07686	6.0
182.82158	6.1
185.09984	14.1
188.03709	14.3
190.05324	8.4
249.05447	22.9
256.13699	10.4
274.14563	53.8
275.13086	14.7
292.15872	16.4
421.19989	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86806	15.4
64.16232	20.4
67.05472	25.2
69.03419	59.1
70.06582	31.7
74.33720	22.2
81.03429	38.8
82.48784	22.8
85.02898	100.0
86.09702	28.1
89.76958	19.5
93.07003	64.1
95.04962	23.5
95.08657	25.0
97.02895	60.6
105.01842	44.6
106.18083	22.1
109.02900	41.3
110.56220	25.2
112.63524	20.9
121.06490	53.4
127.03907	82.1
134.20953	21.5
139.07558	95.2
164.07004	35.5
284.84885	25.1
348.67020	28.4
388.53967	23.4
441.37970	24.1
444.20682	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60484	2.8
53.03929	7.4
54.13808	2.9
55.01862	4.0
56.96547	16.1
57.03422	5.9
61.02919	7.1
65.47128	3.3
65.76221	3.0
69.03429	29.2
69.15952	3.3
70.06574	9.3
71.04973	5.6
71.24475	3.4
72.08130	4.0
73.02905	5.4
77.03943	3.7
79.05488	100.0
81.03407	26.4
84.04508	4.7
84.08141	4.3
84.96043	5.5
85.02899	80.5
86.09708	11.2
87.00817	17.4
91.05465	19.0
93.07035	81.5
95.04963	13.8
97.02889	36.4
97.06465	6.2
98.97568	30.0
99.04462	9.4
105.01862	54.2
109.02869	36.8
110.97562	8.2
116.98611	20.0
121.06503	56.9
125.66208	3.7
127.03903	46.6
128.98602	10.8
136.36902	3.4
139.07538	19.8
140.00206	21.3
145.04974	21.1
146.99605	10.5
152.00166	9.0
158.01231	11.7
158.41316	3.9
159.02788	6.0
170.01292	7.9
170.99686	6.7
181.02821	6.6
184.07347	15.8
189.00607	5.5
193.02823	6.4
194.01154	6.8
199.78581	3.8
200.02393	4.6
219.01807	12.4
231.04991	13.9
237.02895	17.3
242.03352	24.0
249.06075	5.2
260.04422	25.4
283.05948	22.3
284.04184	4.6
336.07602	27.4
354.08493	11.9
377.10229	7.7
378.08447	9.2
422.07199	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.29
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12122	1.8
55.13314	1.7
57.07049	9.5
58.06599	1.9
65.03932	4.9
70.06303	1.6
70.06584	18.3
71.08610	3.0
88.07621	29.0
88.08109	3.5
91.60792	1.8
102.09178	18.5
138.09097	1.8
139.03902	3.0
149.02344	100.0
149.03421	5.9
149.40367	2.2
178.36343	2.2
193.04941	91.0
215.18851	2.1
256.26312	44.2
371.40839	2.2
373.15497	2.8
383.67358	2.3
422.28943	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75270	4.0
54.51967	4.1
57.07062	9.8
57.08303	4.3
65.03933	6.6
70.06576	14.3
71.08613	6.2
88.07616	28.3
102.09164	16.5
139.96904	6.0
140.58154	5.5
149.02342	100.0
149.03418	6.4
193.04938	90.1
246.23320	6.7
256.26303	51.0
304.01031	5.8
370.24173	6.4
377.26025	10.6
422.28922	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73625	4.7
79.94573	4.8
80.56164	5.1
84.56817	5.2
117.39571	5.6
126.50252	4.8
132.36488	5.2
173.32458	5.5
221.63937	5.7
266.75763	6.5
271.04199	6.7
293.04605	6.1
337.08893	10.1
379.09766	36.0
423.08957	100.0
430.77914	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50940	6.8
61.01131	11.1
66.05841	8.6
68.88523	8.3
70.06597	13.0
72.04504	27.3
72.08170	9.6
78.03778	25.7
85.02896	22.5
88.02213	14.0
89.10683	8.6
99.04455	15.0
102.03760	43.0
103.03941	25.5
105.90154	7.7
120.04681	11.1
126.05521	36.6
131.06358	26.4
132.04782	29.3
149.07416	83.4
175.05421	9.0
180.06664	10.4
293.11719	100.0
405.16840	39.5
423.08835	13.9
440.59183	10.8
444.97430	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04510	5.4
70.06570	5.1
72.08141	25.6
76.02196	4.1
87.05585	6.1
91.05487	7.2
98.89077	4.0
103.05422	3.8
114.09200	5.8
120.08102	100.0
125.90265	4.7
159.11319	27.1
160.42030	4.3
164.07082	5.2
187.10788	8.1
237.12331	31.2
276.92386	5.1
281.93079	5.9
287.69769	5.8
303.15118	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07532	21.2
57.74492	19.6
70.62984	23.9
76.60825	23.7
113.03580	32.8
126.49046	25.2
138.05489	51.3
139.84068	25.6
151.11159	29.3
160.99419	29.4
257.18842	30.4
376.80890	31.4
423.23486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85893	3.2
54.54083	3.1
58.06576	5.8
60.08157	3.9
61.01142	3.9
66.23078	3.3
70.06584	6.8
72.08145	100.0
77.38497	4.1
84.08122	9.7
98.08391	4.6
99.09199	20.8
107.04931	26.3
117.15409	4.3
118.37843	4.1
119.04956	5.4
122.55492	4.2
126.10270	4.8
136.07590	17.7
148.07565	12.7
149.10722	12.8
150.11423	5.3
152.49188	4.5
193.12158	9.9
194.12927	9.0
202.08687	20.9
214.48344	4.4
232.14430	24.3
238.30461	4.6
241.27002	4.8
249.05399	4.3
270.57462	5.5
282.15836	6.0
290.14969	17.1
300.17017	76.5
301.17834	16.9
359.24500	15.5
364.16904	35.8
367.26141	4.8
375.89511	6.3
423.24277	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15287	1.2
78.39613	1.7
84.04491	33.0
84.04942	2.9
94.32912	1.6
102.05522	3.4
103.05453	7.7
107.04945	2.7
109.48611	1.4
120.08100	100.0
130.05013	10.0
131.04936	3.4
166.08633	42.1
168.06609	3.4
186.09158	14.5
195.07712	2.5
200.59923	1.9
232.09714	5.8
278.10330	3.5
295.12863	15.9
298.22922	1.8
326.69543	2.0
424.16974	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.5
55.01862	6.0
57.03433	5.0
67.05515	9.5
69.03412	20.7
71.04980	4.2
73.02923	4.0
79.05495	8.3
81.03429	14.5
81.07047	100.0
85.02898	58.0
85.03359	3.9
87.00832	18.2
94.60278	3.0
95.08595	53.4
95.09135	3.8
97.02891	22.3
99.04482	9.5
99.08079	5.0
104.05875	3.1
105.01859	30.7
109.02869	17.4
117.98196	3.0
123.08055	61.2
123.08936	3.3
127.03904	30.3
141.09094	71.5
141.10158	3.9
142.16519	3.0
145.05017	12.1
154.81613	3.2
159.02901	5.5
231.05060	7.6
249.06126	3.9
268.43433	3.4
281.53900	3.5
283.67126	3.4
296.11182	3.2
303.03217	3.3
343.80658	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08677	10.5
57.50140	8.9
62.10889	10.7
67.05496	16.3
69.03391	14.3
69.51870	9.5
70.06588	23.0
70.59077	11.6
72.08157	14.4
81.03391	20.1
81.07042	29.0
82.65572	10.7
84.04516	11.7
85.02899	59.4
95.08632	74.4
96.05702	11.5
97.02884	36.0
97.06517	28.1
105.01893	22.9
109.02853	13.5
120.08102	35.2
121.08400	23.8
127.03941	33.5
141.09120	100.0
154.08684	13.0
238.96364	15.5
267.69916	15.1
380.74597	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37576	2.6
57.07067	17.5
62.48040	2.6
62.97853	2.7
65.24831	3.3
66.60530	3.1
69.65590	2.6
71.08648	13.3
76.27841	3.2
82.59578	2.7
85.10175	5.6
89.06019	100.0
107.07059	3.1
130.08649	21.8
133.08598	60.2
133.09532	4.7
146.10104	3.4
150.42224	3.6
151.09697	5.0
153.85466	3.7
177.11261	5.0
195.12320	5.4
198.68379	3.8
209.47327	4.1
239.14873	80.3
239.17123	5.3
440.89462	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53569	19.5
57.07063	49.9
67.05494	16.4
71.08625	26.1
89.06045	100.0
106.86811	23.4
133.08655	29.1
156.85771	19.7
230.56912	22.4
239.14966	69.8
244.09465	24.0
280.03122	23.8
332.79938	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	40.5
59.93397	7.5
63.04699	7.3
80.65426	8.7
84.96030	13.2
96.75275	7.7
98.97591	45.9
110.97596	13.7
116.98588	22.4
119.58335	8.7
120.08095	14.6
121.06509	10.5
128.98604	19.2
130.06467	8.9
140.00235	20.6
146.99660	11.5
219.01889	18.4
237.04706	11.7
242.03320	17.1
260.04507	12.1
283.05753	12.9
339.07526	100.0
339.11359	13.9
357.08411	58.8
381.08633	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03591	8.7
55.54872	8.3
56.96553	40.3
59.05936	7.9
60.73807	8.5
63.96099	10.1
64.26955	8.5
66.28654	9.2
66.79514	9.4
75.13858	9.9
88.07781	9.9
98.97565	51.2
110.97613	13.7
116.98591	20.7
128.98607	24.6
158.01250	17.0
194.48283	11.3
200.68036	10.1
204.03123	11.5
207.63786	11.5
219.01889	14.2
237.02795	37.4
242.03249	25.9
260.04446	17.4
283.05954	11.7
339.07571	100.0
348.31644	12.9
357.08533	81.6
379.12329	11.6
380.09976	21.8
381.08575	44.1
399.09592	13.5
447.21033	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52702	3.3
56.96548	18.2
57.89135	3.5
61.41900	3.5
70.06577	9.6
72.08143	4.4
81.03413	3.9
84.04494	39.0
84.96052	7.7
85.04810	4.4
86.09704	11.3
97.67448	4.3
98.97594	15.4
108.64671	4.4
116.98621	7.8
120.08095	100.0
121.08447	26.2
125.35957	4.4
128.09497	4.1
130.04994	8.4
140.00198	10.1
166.08611	38.2
167.09064	9.2
168.06331	5.0
170.01259	5.4
186.09175	8.3
214.90157	5.0
219.01726	7.5
229.43498	4.6
232.09735	9.0
237.02730	7.0
242.03316	5.3
260.04315	7.8
283.05908	6.7
295.12833	6.2
296.12967	6.8
339.07446	39.3
365.05664	13.1
381.08530	5.8
406.07980	9.5
425.08374	14.6
434.47739	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73772	16.4
65.93324	18.1
95.09280	20.4
103.52505	20.1
113.47347	18.3
125.33151	21.1
127.14237	19.7
139.18820	18.2
142.03511	24.2
163.03914	96.9
221.03050	53.8
239.03827	26.8
244.04585	30.9
267.06033	23.9
317.05399	24.7
365.07077	59.5
406.09705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96122	4.3
54.49069	5.1
61.97065	5.2
69.03423	6.6
70.06576	12.3
85.02888	8.5
94.06405	5.5
94.07005	4.8
95.08586	11.4
105.06946	6.9
115.07552	6.9
120.04467	9.6
127.58634	5.2
138.05801	5.7
140.14064	5.1
146.02411	9.7
164.03494	6.4
180.01352	5.8
210.37466	5.8
254.58058	5.8
278.10251	6.0
304.28055	6.4
337.01898	7.1
339.14017	10.0
381.14957	30.2
392.40012	7.9
425.14194	100.0
448.92218	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84324	1.1
61.56783	1.2
68.91699	1.5
72.04497	1.5
78.88688	1.4
80.70830	1.3
91.05466	10.7
99.76046	1.4
109.10028	1.3
119.04922	25.8
123.08026	1.9
132.04796	3.3
147.04402	100.0
149.07410	8.6
157.92258	1.5
181.34862	1.4
218.08060	12.2
261.12735	6.1
295.11139	10.0
298.49036	1.7
328.80164	1.7
407.16519	7.2
415.20679	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07811	9.8
58.22455	10.0
75.55829	11.2
78.60787	12.7
84.12255	11.6
90.60429	10.7
91.71626	15.7
124.13910	13.2
139.83244	14.2
181.78265	11.4
183.43234	12.2
217.79070	13.1
239.58446	14.3
292.58206	14.4
353.61887	13.6
425.25040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	7.8
59.68594	3.4
60.85808	3.9
64.46114	4.5
67.05491	4.7
69.03410	8.8
81.07008	5.0
91.30772	4.6
91.71008	9.9
95.08549	7.1
110.84792	5.1
111.08082	5.5
117.06966	5.0
125.64560	5.2
164.29974	5.9
167.99658	4.9
277.45609	6.9
290.63583	6.4
325.00232	13.4
343.01300	10.3
345.13187	11.0
347.14911	8.7
361.02234	50.4
362.77502	6.5
366.02649	27.8
379.03134	15.0
384.03931	81.6
388.78073	6.6
407.05450	100.0
407.10544	7.7
408.05801	7.9
409.14911	22.0
425.24771	6.9
426.17209	31.5
427.15958	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.4
57.03440	2.5
58.99564	3.2
67.05478	2.5
76.02214	3.5
79.05486	3.9
81.23486	2.8
83.04974	8.7
85.02880	10.4
87.96519	2.2
95.45048	2.7
122.02696	22.2
125.09628	100.0
128.88258	2.7
143.10675	8.2
167.27600	2.9
182.83542	3.8
190.22545	2.8
264.12650	12.5
343.29071	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62638	11.5
55.01841	10.4
55.05505	15.1
62.28983	11.0
69.03421	41.6
81.03399	30.8
85.02895	100.0
87.00806	33.3
94.62472	13.0
97.02882	41.0
97.10149	17.0
99.04469	15.4
105.01864	53.8
109.02907	24.6
111.34163	13.7
127.03913	86.7
129.28632	14.9
140.81227	16.8
217.76521	14.7
259.43381	19.8
287.17444	16.2
363.94055	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
55.01875	7.5
55.05515	18.1
57.03438	12.0
61.02932	7.8
64.72315	6.1
69.03436	36.3
81.03431	32.6
83.08648	26.0
85.02885	64.2
87.00847	28.7
87.13757	7.2
91.70949	15.9
97.02913	26.0
97.10155	55.7
105.01899	33.3
109.02912	23.0
125.09684	27.4
127.03913	52.5
143.10677	100.0
156.49976	8.5
159.02946	9.5
161.11662	17.6
192.36148	8.4
200.86082	7.6
202.35371	8.8
219.73969	8.0
252.57707	7.8
277.89978	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01862	10.0
55.05297	2.1
55.05508	25.0
57.03430	4.9
61.02906	4.0
65.35597	1.9
67.05482	7.0
69.03425	40.5
69.07063	4.8
70.06583	5.0
73.02895	3.5
81.03410	21.9
81.07026	5.0
83.08609	24.6
85.02900	73.5
87.00823	19.3
91.71622	3.6
97.02887	27.7
97.10168	56.9
99.04454	12.6
105.01874	28.1
107.08584	4.7
109.02882	29.6
109.10221	3.1
125.09624	74.6
127.03921	38.4
143.10666	100.0
145.04948	9.5
155.10785	2.7
159.02837	5.9
161.11702	28.6
173.07024	3.2
184.13301	2.8
185.65617	2.5
193.58000	2.4
202.14403	2.3
209.14514	2.4
213.04083	4.0
229.14206	4.5
231.05026	7.5
242.02867	2.4
319.63034	2.7
328.22797	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25277	8.8
55.01866	11.6
55.05511	11.4
57.03432	11.5
57.07067	19.5
62.63211	10.0
68.05318	10.1
68.15033	10.0
69.03435	43.8
69.07072	52.2
81.03426	21.7
81.07074	9.7
81.77955	10.2
83.08634	27.1
85.02889	100.0
87.00853	24.0
97.02905	29.7
99.04514	15.9
102.30491	10.3
105.01900	45.7
109.02913	36.7
114.55087	12.7
127.03922	84.9
143.14384	17.3
152.67924	12.6
161.15375	23.9
252.59586	14.1
263.60611	12.1
329.25885	13.8
407.05289	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13782	0.4
53.42618	0.3
57.04551	0.6
57.07016	0.4
61.83512	0.4
69.07029	0.4
84.68517	0.4
94.04028	2.0
123.06660	0.9
139.11206	0.4
143.33789	0.5
148.06137	0.6
150.07742	100.0
179.62094	0.4
201.06033	0.4
203.12807	1.4
230.22508	0.4
295.11459	14.3
296.12061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68198	1.0
57.34662	0.8
58.21894	0.9
59.92033	1.2
69.03410	2.7
72.35257	1.0
74.73946	1.0
80.91446	1.0
81.04526	12.8
85.02886	4.7
91.40174	1.2
91.71041	1.3
97.02885	1.3
103.97382	1.1
122.07140	100.0
126.03748	5.6
144.04771	29.7
144.05870	2.0
155.80804	1.1
158.69977	1.1
177.03902	1.7
208.85585	1.2
306.09964	14.6
320.92242	1.5
427.16306	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34868	6.5
55.02315	6.8
55.05503	13.4
57.07050	25.7
67.05473	10.8
69.07053	20.8
71.08613	27.4
79.05473	20.3
81.07043	28.3
86.09669	8.8
91.05453	28.6
93.07030	57.3
95.04959	7.4
95.08613	17.1
97.06519	9.0
104.99273	8.6
105.07029	40.4
107.08583	71.2
109.06513	9.3
117.07056	14.5
119.08585	20.6
121.10149	29.7
131.08662	8.7
133.10121	64.3
135.11711	63.8
137.09692	8.7
139.11198	13.9
161.09660	29.1
179.10663	100.0
189.12247	10.1
203.12816	48.6
249.18507	28.3
262.03864	9.8
272.77777	8.6
427.28497	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18837	4.9
57.06808	8.1
57.07069	100.0
62.29718	5.3
69.07067	12.3
71.08646	9.0
77.40665	5.9
81.07066	11.9
83.91346	5.9
85.09090	5.7
86.06049	23.3
87.04448	11.9
89.06017	58.9
91.05476	13.3
92.03786	7.1
93.07033	26.6
95.04980	9.8
95.08542	6.7
97.10135	6.8
121.06494	67.6
121.10135	14.0
130.08652	17.7
133.08588	32.6
139.11192	16.5
147.08015	7.6
165.09055	36.3
179.28877	6.8
203.12755	32.1
209.11771	9.2
277.21667	7.3
285.82617	6.2
296.03348	6.9
315.17822	32.1
327.63611	7.0
368.30310	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3566
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05502	43.5
56.76475	5.9
57.07059	19.0
69.07059	54.2
71.08596	8.7
79.05470	9.9
81.07032	38.9
82.03608	6.5
83.08611	100.0
95.08634	8.0
97.10172	11.7
107.08560	8.5
164.02275	8.4
282.98343	7.1
376.67361	9.1
427.35669	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04265	2.5
51.30552	2.5
51.68677	2.4
57.03444	6.5
57.07079	3.1
58.96643	2.4
64.35130	2.4
69.03435	7.4
71.02953	2.5
72.08186	4.7
75.28883	3.2
78.62115	2.8
79.61113	2.6
79.91073	3.1
81.07087	2.8
82.91010	2.5
85.02898	29.2
87.04483	3.4
90.05544	100.0
91.71062	3.5
95.01321	92.9
97.02923	8.0
111.00843	3.5
113.02384	8.3
129.01906	13.0
136.06189	3.2
141.01826	54.2
146.36792	3.3
177.03934	95.0
203.12794	4.9
234.77831	2.9
330.13599	3.8
337.04401	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01864	8.8
55.83007	3.4
57.03435	5.8
59.77800	3.2
59.98889	3.3
61.02911	5.5
69.03416	34.9
71.04964	7.4
73.02889	6.3
81.03416	26.1
85.02396	3.3
85.02895	100.0
87.00815	24.7
97.02889	32.8
99.04447	13.4
105.01857	48.0
109.02850	31.0
117.09133	13.3
124.51888	4.5
126.10303	5.2
127.03916	55.6
129.26532	4.2
132.47585	4.1
145.04965	27.0
157.00107	4.6
159.02946	12.8
192.09300	4.6
205.08105	4.9
224.17482	4.8
231.04990	18.2
272.73627	5.7
326.64966	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	6.8
56.62640	2.3
57.07058	3.9
58.60570	2.1
60.08152	18.9
67.05508	3.8
69.03418	4.6
69.07058	4.8
70.06577	7.9
71.07359	8.8
71.08621	4.1
72.08156	22.7
81.03411	3.4
84.04517	2.5
84.08119	3.1
85.02825	3.0
86.09702	69.9
86.10207	5.0
97.02851	3.4
97.10149	8.0
98.98479	5.1
104.10741	100.0
121.10168	3.6
125.00015	26.9
126.10258	49.3
138.09189	3.5
184.07326	91.6
194.80653	3.2
203.12854	12.3
224.17563	28.8
243.66284	2.9
351.87891	3.2
365.04083	3.4
385.14664	3.3
428.15073	8.0
428.20306	30.5
429.13745	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.2
57.07061	35.2
66.95027	15.7
69.03426	17.6
69.07040	31.9
71.08615	56.4
81.07032	47.2
91.05471	24.6
93.07037	35.7
95.08569	32.4
97.06548	21.4
105.07034	52.5
109.17459	18.8
111.62060	16.8
121.10117	69.0
131.08562	22.2
139.11172	43.3
159.08058	75.0
161.09674	36.7
171.11801	27.5
177.29701	19.6
203.12767	100.0
204.13062	28.4
263.00238	22.0
281.18970	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.3
57.07054	4.3
58.13191	2.6
61.04727	2.5
67.05508	4.8
71.08616	3.9
73.06527	8.2
84.24879	2.7
85.06528	17.6
87.04455	57.4
89.06023	100.0
107.07114	3.0
112.44442	2.9
112.94328	2.5
113.75852	3.0
117.09106	4.1
126.09161	11.0
129.09122	31.8
130.08647	20.8
131.07031	4.7
133.08594	58.6
142.08826	3.0
153.12921	3.1
173.11729	14.4
177.11111	14.4
203.12793	5.7
275.52444	3.6
378.73874	3.4
382.44226	3.6
399.38608	3.6
411.25897	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57824	14.4
69.03391	15.6
69.07054	31.1
70.06579	32.8
72.08144	50.9
79.10273	16.0
81.07026	19.9
85.02882	16.3
88.17071	13.2
88.44053	13.9
93.07066	17.0
106.08161	17.2
118.60759	17.1
130.06523	19.4
139.11168	20.7
143.17265	17.4
146.05988	20.4
154.09732	98.6
158.06032	36.1
166.09734	62.0
173.07004	30.1
203.12761	52.6
299.15048	54.8
369.22916	100.0
408.52222	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72862	5.4
60.08147	10.0
69.03420	20.1
70.06584	7.0
70.94859	5.4
72.08143	27.2
81.03398	11.5
81.07028	7.0
83.94942	5.3
85.02897	25.0
86.09705	35.2
87.10072	7.6
91.70991	6.7
93.07042	7.1
97.02892	15.0
97.06561	6.6
99.04432	11.5
104.10735	38.8
105.11065	9.6
109.02866	17.1
121.10211	8.5
125.00046	13.6
126.10249	69.5
127.03893	20.8
139.11275	6.5
145.10057	8.0
163.11195	41.9
181.08478	9.8
184.07294	31.4
185.07666	15.1
195.68349	6.3
209.46678	7.9
224.17554	30.2
225.17943	9.7
247.01590	7.5
305.50339	7.4
315.02829	7.5
341.31387	8.3
378.58099	8.4
385.14603	37.3
429.13574	100.0
430.14508	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63006	5.8
56.77287	6.5
58.78636	6.2
67.05482	7.3
69.03425	7.2
69.58745	5.3
70.06584	19.2
70.07019	5.7
71.59989	7.1
72.08142	20.1
81.03418	6.7
105.63433	6.6
117.23592	6.1
126.10265	36.0
127.10642	7.7
163.11111	8.6
167.23528	7.6
224.17580	20.0
225.17854	12.1
240.90656	8.8
241.09245	7.8
243.04994	7.8
255.42921	8.7
343.13690	8.5
385.14847	29.3
429.13754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84413	1.6
53.03936	7.0
55.01853	8.2
57.03426	6.8
58.03205	1.6
61.02908	2.6
62.73309	1.9
67.05496	2.5
68.99776	1.8
69.03419	30.0
71.04980	4.1
72.08140	4.3
73.02901	7.5
79.05488	3.0
79.26845	1.8
81.03409	29.2
81.07053	12.7
83.04964	3.2
85.02895	49.9
87.00819	15.1
91.03980	2.1
91.05465	7.9
91.77954	1.7
93.07035	11.7
95.04969	23.0
97.02874	18.2
97.06523	2.6
99.04438	8.5
103.03928	3.2
105.01844	11.9
105.07029	7.9
107.08579	12.5
109.02863	17.5
109.06530	2.9
111.68531	2.0
115.03855	2.6
117.01799	2.3
117.06993	3.4
119.08556	5.6
121.06494	4.9
121.10138	10.4
126.10378	4.7
127.03915	34.7
129.01842	4.0
130.07800	3.4
135.11711	5.5
145.04939	11.9
145.10097	17.7
147.08089	2.8
159.02872	14.6
163.11176	100.0
167.07042	4.9
181.08487	2.1
181.12119	3.4
183.08258	2.2
189.03969	2.0
205.12239	2.7
210.02667	2.6
223.13261	5.2
224.17628	3.5
231.05034	5.2
297.44177	2.3
308.49347	2.4
429.13480	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62132	8.1
56.96557	7.8
57.00374	6.8
57.07076	7.3
60.08148	33.3
68.83706	7.4
69.07059	12.8
71.04980	33.3
71.08617	9.0
76.12833	7.8
91.05518	9.6
92.63491	9.5
93.07009	18.2
95.08593	12.3
98.72616	8.2
107.08598	12.9
117.60128	9.3
118.01525	9.9
119.08624	8.2
121.01657	8.7
128.79100	9.0
130.12277	100.0
143.09802	10.2
147.08041	9.7
149.06003	15.8
167.07054	10.7
177.52101	9.6
197.08130	17.6
222.22870	10.6
261.18527	12.7
338.06866	10.9
411.29150	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07052	3.3
69.27962	3.8
75.20055	3.1
75.88811	3.0
77.82327	4.1
98.61987	3.4
103.22540	3.7
103.39950	3.2
204.89268	3.7
205.50658	4.4
216.17252	4.4
392.44846	4.4
429.31824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76140	4.1
53.46873	3.8
60.84019	3.8
66.94234	4.2
68.47153	4.2
70.26733	3.7
71.03978	4.0
81.07038	7.5
94.91719	4.3
95.08582	5.1
100.91273	4.5
118.79568	4.9
119.08624	4.8
120.52397	4.7
310.48758	5.8
374.37430	5.9
429.31854	100.0
438.07452	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3362
Annotation	Variecoacetal B
Peak:m/z	Relative Intensity
50.38683	2.3
51.13949	2.6
55.05484	4.5
57.07059	6.1
67.05489	2.3
69.07054	10.9
71.08616	5.6
73.15394	3.1
73.85622	3.2
81.07048	7.5
83.08599	7.6
91.05472	10.4
91.71014	7.0
93.07042	11.3
95.08602	8.0
97.10155	3.9
105.07029	7.2
107.08590	25.6
109.10125	3.3
117.07027	6.1
121.02876	3.6
121.06505	9.0
121.10156	3.9
135.08055	7.8
145.10098	6.9
149.09624	3.5
161.09628	3.8
173.13249	4.5
175.11253	4.3
289.18173	4.6
289.21555	48.5
305.24826	5.0
349.95575	4.5
429.33658	100.0
430.33279	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3725
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.47984	12.1
53.11324	12.7
54.94066	10.1
57.07061	36.7
59.66999	12.9
61.54112	12.0
67.56955	12.8
73.19705	11.6
77.65801	12.1
81.07094	14.2
91.70979	28.8
99.28555	13.2
101.22453	13.8
107.08616	16.7
127.31163	16.1
129.58244	13.9
138.80333	14.0
163.11113	15.6
165.09071	100.0
177.09178	22.7
178.27873	16.9
179.48645	16.1
191.10651	19.6
317.32156	18.1
325.46976	20.9
404.17337	17.8
429.31583	26.6
429.37125	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
61.02910	2.0
69.03416	15.6
70.06590	2.0
73.02908	1.9
81.03416	15.5
85.02897	21.7
87.00821	4.1
91.05492	8.8
95.04976	2.3
97.02882	8.2
98.32986	1.4
99.04455	3.2
105.01885	1.8
109.02874	10.3
111.55579	1.5
119.04933	9.6
121.06482	1.9
123.04411	12.9
127.03934	11.4
136.06192	100.0
136.07574	27.3
138.69084	1.8
147.04410	5.5
165.05458	16.0
182.08113	31.6
185.48625	1.6
224.09010	2.3
236.43921	1.6
296.68323	1.7
331.73865	2.0
430.13995	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
53.10129	0.7
54.04181	0.6
55.01868	1.5
59.10334	0.7
65.03912	1.2
69.03426	4.2
72.08155	0.9
73.02930	0.8
81.03399	4.3
85.02888	9.7
87.00817	3.6
91.05466	5.9
97.02866	4.1
99.04449	1.5
101.81211	0.7
105.01843	2.3
108.97060	0.8
109.02882	3.9
119.04930	14.5
123.04422	1.3
127.03891	5.6
145.04948	2.4
147.04401	100.0
148.04698	1.3
154.58296	0.8
155.27267	0.8
159.02853	1.6
165.05554	2.3
180.80476	1.0
208.19252	1.0
231.06514	2.8
371.19196	1.0
395.09473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71902	0.9
68.67566	0.9
69.03419	12.2
70.06583	1.6
71.04998	1.3
72.08152	1.8
77.70327	1.0
79.14809	0.9
81.03007	0.9
81.03406	7.1
83.01374	1.1
84.04514	1.4
84.36026	1.0
85.02895	13.6
86.09698	3.1
87.00802	5.0
91.05486	7.5
97.02883	20.0
99.04457	4.7
105.01864	3.7
109.02877	3.7
118.25529	1.2
119.04930	21.4
123.04433	1.6
126.10294	2.1
127.03902	15.2
145.04951	7.4
147.04399	100.0
165.05457	32.0
231.04990	5.7
326.42056	1.2
356.78244	1.0
367.92874	1.2
407.36658	1.3
415.50858	1.2
444.49399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.9
60.08165	11.9
62.16552	1.4
62.22819	1.3
67.04241	1.7
68.05024	1.7
68.70942	1.6
70.06573	2.6
71.26926	1.5
76.03641	1.4
84.04521	3.9
85.02914	3.9
92.61595	1.6
99.01408	5.1
106.02851	1.7
111.04453	2.6
122.02751	4.0
125.01698	5.2
126.02477	43.9
126.14286	1.9
127.03260	12.9
130.04997	3.9
134.80777	2.5
136.06181	41.5
139.03909	1.7
149.76988	1.8
185.09813	100.0
186.10558	2.9
211.05725	1.8
251.06854	2.3
251.67619	2.0
265.13437	2.0
384.14386	2.1
386.21100	27.8
430.20261	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
73.35461	23.6
75.27927	23.4
77.12533	31.5
88.73783	25.9
91.05484	27.9
105.06980	27.8
106.84316	25.8
107.08547	29.0
145.10081	34.2
173.02843	29.7
183.82079	31.7
221.25699	29.8
225.24622	33.6
260.10965	30.8
430.20486	100.0
443.79965	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04758	1.4
77.00592	10.5
79.02137	1.8
81.07029	1.7
83.74677	1.5
86.09680	1.9
89.06018	16.8
91.05797	4.0
94.03218	2.0
95.01638	46.8
99.02663	3.1
101.04278	1.7
102.03773	2.0
114.07345	4.4
117.03744	3.4
118.03211	78.1
119.01631	2.1
121.03155	3.4
130.08617	3.9
133.08620	6.4
142.06766	1.9
144.04759	3.5
145.06786	13.5
147.04739	14.6
165.05803	1.9
169.03534	2.3
179.01610	1.7
188.07362	2.7
189.09398	7.3
191.07314	9.1
233.12027	100.0
234.12500	1.8
239.09605	2.9
253.58893	1.8
275.45944	1.9
323.17010	2.0
429.01987	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90289	24.2
56.24124	26.8
56.74045	27.0
57.86292	25.3
67.05498	46.3
71.56462	24.9
76.15095	25.6
76.66615	31.9
81.07053	63.9
86.53519	29.3
93.07016	36.9
95.08587	56.9
99.52940	33.5
105.07008	61.8
107.08574	54.9
117.02312	28.0
119.08595	56.2
133.10120	43.9
145.10159	100.0
159.11693	57.9
159.89906	32.5
168.63559	40.5
173.13152	45.6
283.20462	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04535	3.0
68.05037	2.4
69.03439	4.0
70.06596	1.8
71.04983	1.2
80.05032	2.9
81.03429	4.3
84.04493	5.8
85.09313	1.0
96.04489	23.3
97.02875	5.0
98.06048	10.8
99.04473	1.7
109.02923	3.7
126.05516	17.9
126.06342	1.4
127.03912	1.2
138.05502	100.0
144.06569	19.7
144.07651	1.3
168.06561	19.6
168.07872	1.7
186.07585	13.3
204.08806	3.3
353.29572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74539	2.9
58.06584	3.7
60.08157	70.2
66.28853	3.0
67.61161	3.6
69.07056	10.9
70.06593	5.7
72.08145	67.5
84.08119	4.0
86.09700	6.2
89.10803	6.1
91.65692	3.0
91.71150	4.5
92.97491	4.2
97.06532	18.8
114.12807	8.9
127.11224	4.0
130.06523	65.4
132.08073	10.5
142.06546	3.5
144.08073	8.1
155.08144	7.3
157.07582	3.6
159.09186	51.6
169.10925	3.5
170.06013	10.9
185.07118	16.7
199.08560	9.0
216.64931	4.0
219.22418	3.4
255.14992	13.1
314.22299	5.9
430.31720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24298	7.1
55.77559	8.4
56.96555	38.6
79.64802	9.4
83.08232	8.7
84.96004	17.2
98.97583	35.8
110.97549	11.2
116.98626	30.1
122.28459	9.4
128.98615	15.9
131.00272	9.6
140.00165	21.1
158.99698	15.1
188.78557	9.7
192.29367	9.9
200.02284	11.9
237.02850	16.9
242.03448	16.1
243.09009	10.0
253.39980	12.5
260.04428	13.6
345.12268	100.0
351.21631	10.4
375.33478	13.3
384.52841	12.6
386.14780	40.7
387.13153	41.8
410.86548	10.5
431.13171	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	2.6
60.08138	3.6
69.07040	4.8
70.06565	4.6
86.09689	12.3
91.70935	6.1
96.94536	3.0
114.62657	3.1
142.03493	4.6
183.09914	5.8
207.74010	3.6
219.10764	5.2
242.12318	4.0
266.12357	8.9
279.35135	3.6
299.05402	6.4
345.14145	10.7
387.15985	20.3
431.15152	100.0
435.25296	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63728	4.3
66.88285	3.8
70.06563	7.2
75.20917	4.2
75.65117	4.2
79.09708	4.2
80.18011	4.0
85.02931	5.6
86.09714	30.8
119.01937	5.4
120.49157	4.5
128.99567	5.0
183.09961	8.4
229.11996	5.5
266.12305	9.0
299.05347	7.1
345.14383	10.7
387.16156	34.5
431.15131	100.0
431.20480	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65844	9.7
59.21597	11.3
62.44007	12.0
70.06578	35.5
84.04486	14.6
85.02903	45.0
86.09686	52.2
116.07090	33.3
122.06000	12.3
147.22195	14.2
155.98929	12.0
213.08517	12.3
224.40393	12.7
345.15039	13.3
377.67932	13.9
387.16049	34.8
431.15073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3149
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
50.45346	17.9
51.63265	19.3
56.94920	23.5
61.89988	21.8
70.42343	20.8
78.45281	19.7
93.07071	28.1
97.25826	27.1
109.10139	45.1
110.36067	24.5
119.08579	31.2
159.07974	25.9
173.09506	27.3
203.89185	24.7
234.30528	32.1
269.69809	24.6
301.21793	24.7
413.30478	70.4
431.31647	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	6.3
54.54346	3.2
55.01880	8.8
57.03432	5.8
61.02927	5.1
65.09148	4.3
68.99790	6.8
69.03422	43.0
69.03714	3.9
70.06600	7.6
71.04992	7.4
72.08172	5.8
73.02944	4.7
76.02215	7.9
81.03421	24.5
84.04512	5.5
85.02899	98.5
87.00830	29.0
91.71710	11.1
97.02877	35.5
99.04499	13.4
102.95886	4.1
105.01858	63.5
105.02489	5.4
105.77225	4.0
109.02866	29.2
114.86434	4.1
120.23421	4.7
121.06487	21.8
127.03928	53.4
137.65274	4.3
144.18819	4.8
145.05037	20.3
147.03050	5.2
149.05968	100.0
159.02946	6.7
190.08676	10.1
191.48877	5.0
213.04030	5.6
231.05119	19.2
265.27097	4.8
294.03680	5.3
397.11169	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.171
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	6.9
76.98084	1.3
85.02905	15.5
90.05547	100.0
96.88727	1.5
97.02871	6.1
126.00366	1.7
127.03903	12.1
145.04941	5.1
155.27161	1.8
169.68581	1.6
199.30397	1.5
311.54721	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17619	1.5
50.21472	1.4
55.01842	1.4
70.06590	4.1
70.08508	1.7
78.93430	1.6
84.04497	3.0
84.08144	2.1
86.09688	5.2
95.04945	2.9
99.10308	1.7
104.05015	5.8
107.66694	1.8
134.06032	4.5
168.84256	1.8
178.04985	45.4
242.10544	3.6
257.09286	6.3
285.12305	100.0
286.12662	2.5
303.13269	9.8
335.04416	2.1
345.36090	2.3
432.17581	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	5.4
55.05503	4.9
60.04247	4.5
60.04517	66.8
62.54400	4.1
66.72997	4.0
67.04230	4.5
68.05023	16.7
69.03425	10.7
72.04485	7.5
74.79754	3.7
77.49027	4.0
80.05022	4.4
81.07027	4.6
82.06564	6.6
83.01331	5.2
83.08590	5.3
84.04491	9.6
87.31371	4.8
88.03976	19.8
94.02925	15.9
95.01325	21.5
96.04474	51.3
97.02900	9.8
97.10120	5.0
111.04439	13.5
112.03968	9.1
114.05516	100.0
115.03943	8.0
117.29910	5.2
124.03923	26.7
126.05497	33.6
127.03912	42.1
128.05809	4.1
132.06555	16.3
138.05482	12.0
139.03889	39.5
142.04964	15.9
144.06593	4.7
149.03441	4.4
156.06546	84.9
157.04968	9.0
174.07561	28.1
184.06012	10.5
192.08679	7.6
198.07637	4.9
202.07144	11.8
216.08633	47.8
234.09734	29.5
240.01215	5.3
276.10794	6.2
326.21472	5.2
404.51706	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.61491	8.4
75.62344	7.9
83.47939	7.6
84.04504	8.3
85.02856	12.2
86.09686	35.9
147.04335	52.6
245.75253	13.0
266.33041	9.1
303.64294	10.3
343.13519	18.0
387.12482	13.8
389.14398	12.9
399.64627	11.5
404.57324	10.7
407.60886	10.4
433.12915	100.0
433.18188	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18407	11.8
52.20560	15.8
53.98644	11.0
56.96552	42.0
60.08157	17.1
62.90797	12.4
70.06580	49.3
72.08123	17.6
80.51570	13.6
80.57680	15.5
82.13351	13.9
84.04494	30.2
84.08137	14.8
84.96041	30.0
86.09705	55.6
90.76261	16.6
98.97594	41.2
120.08134	23.9
129.10216	20.2
134.36522	18.0
143.68085	14.3
224.09648	23.0
242.03304	30.2
260.04428	21.9
282.31525	16.5
317.66595	15.4
347.13733	100.0
376.94052	17.6
388.16653	75.0
389.14743	50.8
457.09418	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49797	10.9
56.96555	47.6
58.27946	11.7
59.05094	13.3
60.59866	10.6
68.98798	12.9
70.06570	25.6
71.42402	12.2
84.96035	23.4
86.09697	14.7
89.90485	14.1
91.71041	23.4
98.97573	29.8
101.91076	14.1
116.98598	19.2
124.39986	15.0
140.00136	21.6
160.20457	14.7
173.77419	14.0
178.04993	46.6
179.05426	30.4
191.95728	16.2
219.09175	23.3
220.45796	16.0
242.03439	22.3
260.04437	16.7
285.12427	34.3
286.12653	93.6
347.13651	100.0
388.16354	86.2
389.14841	51.7
433.14624	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	51.8
78.06539	8.9
84.04449	12.8
84.96011	15.6
95.08582	11.8
98.97581	45.1
110.97533	15.2
121.48119	10.0
127.81635	11.1
133.79887	11.6
138.07875	14.1
140.00191	21.8
149.01141	14.5
152.00232	22.6
158.01283	13.6
201.07927	21.7
218.28734	12.1
219.01685	21.6
224.09456	12.4
237.02750	19.0
242.03441	27.7
260.04449	23.1
285.12415	33.6
286.12637	59.1
347.13809	100.0
365.14890	36.5
388.16351	74.9
389.14664	70.5
433.14301	15.1
443.56918	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05501	17.2
57.03422	18.0
57.30248	6.1
65.51704	7.2
67.05498	85.2
69.07050	17.0
79.05495	24.3
81.07050	84.8
83.08627	8.6
91.05476	23.1
91.70985	9.3
93.07028	55.9
95.08591	60.2
97.97797	9.1
98.98461	68.9
104.32490	8.9
105.07019	24.3
107.07951	10.4
107.08596	44.1
109.10149	27.4
119.08547	20.9
119.38641	8.1
121.10130	23.6
131.08585	17.1
135.11726	21.7
140.01097	11.5
149.13297	10.1
161.13214	10.2
163.14848	14.4
173.13269	19.0
243.21254	8.3
261.22067	48.1
335.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40948	4.4
58.06578	6.9
60.04512	23.6
61.63566	4.0
63.33280	5.7
69.07044	7.1
70.06584	71.0
73.23707	4.3
74.06068	44.8
75.15864	3.9
75.98861	4.2
84.04493	12.2
85.02892	7.6
85.58981	6.3
86.09694	100.0
87.05566	4.9
91.71613	8.3
99.40308	4.7
112.21127	5.3
120.08111	19.7
125.04653	5.1
128.10641	7.0
132.10207	18.0
146.78172	4.8
163.18137	5.7
173.12840	50.5
187.14352	11.9
201.12358	12.9
217.13435	6.5
233.14915	49.1
245.12874	16.7
302.17191	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3312
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
51.59360	9.0
53.47536	9.4
55.05492	31.5
57.07065	26.0
66.65832	11.4
67.05491	40.2
69.07049	46.3
69.22878	10.6
71.08612	26.2
79.05479	22.7
81.07066	83.1
83.08650	16.8
84.08125	14.1
91.05491	50.5
91.71613	26.5
93.07036	100.0
95.04951	26.5
95.08607	77.3
97.06527	22.4
105.07022	61.9
107.08619	48.1
109.10157	33.3
119.08582	47.0
121.06487	26.9
121.10152	34.0
131.08585	14.7
133.10150	47.6
135.08121	13.2
135.11765	15.1
139.07603	16.0
143.08563	29.5
145.10153	25.3
147.11755	25.9
152.91444	13.0
159.08131	13.4
161.09639	57.7
161.13268	29.8
169.16647	15.9
171.11734	19.8
173.09715	21.2
175.11150	19.7
183.11792	13.5
185.01064	12.8
207.13802	66.0
227.14172	19.1
285.18289	15.8
325.32104	17.8
331.04434	15.0
364.82477	16.3
379.29816	21.8
397.30829	61.2
415.32028	51.9
433.33072	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3311
Annotation	3beta,5beta-Ketotriol
Peak:m/z	Relative Intensity
53.03910	10.9
55.05503	28.1
57.07067	31.7
61.20984	15.7
67.05492	42.3
69.07066	77.7
69.81313	13.6
71.08617	29.6
78.12225	15.2
79.05493	27.8
81.07037	96.8
83.08598	24.5
84.08167	15.9
91.05486	64.4
93.07037	100.0
95.04960	51.7
95.08598	88.9
97.06549	15.5
98.98501	17.0
105.07035	66.6
107.08585	46.8
109.10144	35.1
119.08598	45.1
121.06532	23.0
121.10190	25.3
123.08076	19.1
125.00016	17.7
126.49953	17.1
131.08560	17.8
133.10146	54.0
135.08070	16.7
145.10158	32.7
147.07941	17.0
147.11656	37.0
157.10120	25.5
161.09653	65.0
161.13187	33.6
175.11201	16.8
183.86694	15.4
188.04745	15.1
189.12769	19.8
207.13831	59.3
209.19016	18.4
262.75977	15.4
379.29938	25.1
397.30997	57.4
415.32153	57.7
433.33270	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72386	1.6
69.03425	5.1
70.06578	5.2
72.58802	1.7
73.96276	1.8
76.02232	1.9
77.44170	2.1
84.04493	2.1
85.02894	6.9
86.09721	2.9
91.05460	4.0
93.39481	2.3
97.02885	2.5
119.04932	16.3
125.28639	1.9
127.03913	3.2
138.05493	5.2
147.04401	100.0
237.07733	4.5
240.92307	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16034	4.7
56.05034	11.3
60.44333	5.6
61.01146	8.4
62.35931	5.1
62.44395	5.0
68.20213	5.7
70.79208	5.6
73.77371	5.2
75.54608	6.7
84.04509	33.2
86.09696	100.0
102.05540	10.0
104.05341	12.0
144.06601	22.8
149.45078	6.3
162.07582	34.1
250.57907	7.2
269.31619	7.5
297.91650	9.0
382.10339	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.6
57.03421	6.9
58.99572	13.8
61.01131	5.8
62.99056	4.1
67.05498	20.0
69.07044	5.0
70.06564	2.7
71.08612	17.2
76.02219	84.7
81.07037	6.4
83.06104	3.5
84.04497	24.5
89.00628	12.5
97.10153	5.1
98.23651	3.2
99.08097	12.2
107.08591	5.9
109.10167	13.3
116.01697	13.8
116.76767	3.6
126.12862	3.6
127.11176	30.1
129.06548	7.2
130.05011	9.7
144.01172	8.3
157.01219	3.1
159.08372	100.0
159.09615	5.8
162.02199	31.9
179.04816	32.0
184.11670	5.1
202.12570	16.8
233.05940	6.6
239.72755	3.6
269.79471	3.9
287.14206	73.5
305.15201	9.4
359.16446	13.3
370.22571	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46959	2.0
53.03935	4.8
55.01854	6.4
55.05505	2.9
57.03420	3.9
61.02906	2.5
67.05494	5.9
69.03420	30.9
69.07027	2.7
70.06568	7.2
71.04998	2.5
73.02911	3.3
76.22810	2.2
79.05492	4.4
81.03411	19.9
81.07052	33.0
84.04510	3.9
85.02900	67.5
86.09676	2.8
87.00819	18.8
91.05474	3.5
93.07014	3.4
95.08611	12.3
97.02885	32.9
99.04453	12.5
105.01865	36.0
105.07024	13.2
107.08592	16.8
109.02860	23.6
109.06513	5.3
109.10134	13.3
117.05449	2.4
119.08559	2.4
120.08079	3.1
121.10116	4.1
123.08076	8.8
123.11700	75.3
127.03926	40.9
129.01852	4.2
133.10141	28.3
145.04958	15.6
151.07549	4.0
151.11180	100.0
154.00171	2.9
159.02887	8.4
169.12225	92.8
210.14926	5.7
231.04974	12.4
404.46503	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	7.7
70.06567	16.5
79.26717	8.6
86.09695	44.1
91.71662	21.0
92.40883	9.5
130.04973	11.5
194.16734	11.5
320.69360	11.5
391.09680	18.0
435.08890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	7.7
70.06567	16.5
79.26717	8.6
86.09695	44.1
91.71662	21.0
92.40883	9.5
130.04973	11.5
194.16734	11.5
320.69360	11.5
391.09680	18.0
435.08890	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51478	6.0
56.96561	9.2
64.89832	6.0
68.08072	6.8
69.07046	12.1
70.06551	9.5
71.08618	13.4
72.58355	7.9
73.10822	7.5
74.00638	15.1
76.02229	16.8
81.07059	11.6
83.06079	10.1
84.04494	100.0
84.96006	8.4
85.02893	15.1
86.71558	7.2
88.03989	16.0
91.46343	6.4
93.06990	7.9
95.04948	7.0
97.02887	11.5
98.97594	22.0
99.08096	21.5
100.43121	7.3
100.68967	7.8
104.90559	7.9
112.65262	6.8
120.01193	15.5
122.02733	39.3
130.05023	21.7
140.00224	17.6
142.03198	8.3
144.51482	8.0
157.06862	12.2
158.01248	10.5
167.10655	25.6
181.02876	9.4
182.01248	8.6
185.11772	10.9
242.03331	8.6
249.05429	15.7
261.96600	9.8
271.70435	8.6
306.13858	17.7
307.10666	17.1
330.12299	49.5
372.13486	19.6
379.77728	10.4
435.18112	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2023
Annotation	Arg Glu Met
Peak:m/z	Relative Intensity
63.57488	2.3
67.05497	2.5
68.88414	2.1
81.07047	4.2
91.71587	3.0
97.24546	2.5
109.30876	2.4
152.88196	2.7
173.37778	3.1
198.20329	3.0
211.95961	2.7
332.95990	2.8
336.38614	2.8
352.48807	3.5
382.44431	2.8
387.67789	3.1
417.11487	3.0
435.20190	100.0
436.20270	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2505
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05495	24.9
57.03421	15.6
65.04025	7.4
66.35188	7.2
67.05210	7.9
67.05495	77.7
69.07051	39.9
74.80664	7.7
79.05477	21.2
81.07052	100.0
82.42181	7.7
83.08609	19.1
91.05460	16.3
93.07038	24.9
94.83800	8.1
95.08590	70.2
97.10164	12.2
98.98454	65.0
105.07018	13.5
107.08601	11.1
109.10133	21.3
121.10133	21.3
123.89984	8.1
133.10152	13.2
149.13171	10.0
155.01001	21.2
189.68785	9.6
245.22659	10.9
263.23758	30.5
267.64282	8.7
271.42484	8.7
314.58902	11.9
334.81448	10.2
337.27408	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	37.1
59.89263	23.1
67.05479	75.4
69.07064	33.1
81.07030	100.0
82.97523	28.2
91.05511	32.7
95.08600	81.9
98.98459	41.2
99.14043	26.1
105.07014	59.7
107.08577	32.8
109.06488	52.8
109.10198	50.0
119.08553	44.1
121.10127	49.0
131.08536	41.8
143.08649	29.2
181.99179	29.9
190.01022	31.1
237.67450	30.6
242.86926	33.8
250.63158	31.7
300.47018	35.8
337.27322	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21913	4.6
65.03929	12.5
68.64999	4.8
69.03395	9.8
70.06581	8.9
70.34462	4.6
70.71956	5.0
71.26067	4.3
81.03400	6.0
83.04952	9.0
84.19679	5.1
85.02885	22.5
97.02880	7.9
111.04436	44.8
120.08109	5.1
127.03936	15.4
139.03891	86.4
151.36325	4.8
153.05463	23.3
171.06517	100.0
213.07597	8.3
279.08521	7.5
327.01297	5.6
416.20786	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57727	2.1
65.03928	9.0
69.03413	9.5
72.08151	2.4
73.39172	2.4
81.03396	8.7
85.02904	17.2
86.59937	2.4
87.00826	3.4
88.22623	2.2
97.02882	7.0
98.00940	2.3
99.04495	2.3
105.01872	3.9
107.04942	3.2
109.02888	6.4
111.04427	40.0
114.52652	2.4
121.02849	3.1
126.36765	2.3
127.03919	9.0
139.03889	93.5
145.04968	5.2
159.02853	3.1
163.49576	2.7
171.06499	100.0
185.84886	2.5
195.06555	4.9
213.07613	3.8
228.51561	2.7
257.65854	2.8
279.08673	2.9
292.49432	2.9
309.10001	2.5
313.85663	2.8
355.86752	2.9
395.08389	7.8
447.35953	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53000	2.7
59.17828	2.6
67.05494	3.9
69.03421	5.6
70.06593	3.8
73.79552	3.3
79.05478	14.7
80.85439	3.1
81.03423	5.1
81.07069	4.1
84.04512	5.8
85.02901	15.3
86.09696	6.0
88.03986	25.0
91.05482	9.2
93.07059	3.4
95.04968	9.1
97.02897	6.8
105.01856	9.9
106.06529	6.9
107.08618	4.4
109.02897	4.2
109.15872	3.3
118.06550	13.6
124.07646	3.7
125.06030	6.4
126.05528	4.9
127.03960	7.1
134.04495	5.6
134.06006	7.6
136.07587	13.9
138.05519	10.8
142.08641	9.9
146.06125	6.0
162.05490	100.0
164.07057	79.1
164.08365	6.2
178.04994	35.1
180.06535	24.3
182.08188	10.5
241.07889	3.2
243.94490	3.8
257.12766	5.3
285.12344	43.2
295.09290	16.5
297.10818	7.6
297.21014	4.1
303.13339	23.5
306.22870	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.6
56.05020	3.8
59.64491	2.2
67.06157	2.5
68.17988	3.0
82.75918	2.3
84.04488	34.3
93.24873	2.8
94.04592	2.6
98.06031	8.9
102.05523	17.5
107.08543	5.6
108.04476	35.1
122.06026	13.4
124.07601	3.0
130.04976	18.6
135.08054	7.2
138.05482	6.5
140.07115	5.0
148.06024	11.5
149.07205	2.6
150.05513	20.1
152.58159	2.8
160.07562	5.6
163.08638	5.8
167.08151	9.2
174.09119	3.1
177.10245	8.5
178.08601	39.8
187.08746	3.3
188.07111	4.2
197.61740	2.6
201.10222	5.3
202.08635	13.3
205.09679	17.7
206.08191	5.9
219.11264	13.9
229.09731	7.7
230.08098	4.8
233.09186	3.8
247.10780	37.5
251.10310	6.0
265.11731	6.2
271.10822	3.9
279.09714	20.0
289.11865	10.3
297.10883	16.6
297.64542	3.1
307.12769	5.5
351.62103	3.4
394.16089	16.0
418.15930	4.5
436.17096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	3.8
65.35244	3.4
68.35091	3.1
70.06571	3.7
78.39017	3.6
79.05495	3.7
84.04493	42.4
85.02896	4.8
91.71057	5.1
98.06044	7.4
102.05508	19.0
108.04454	36.7
122.06029	15.4
125.42049	3.6
130.05009	26.9
130.28658	4.3
135.08090	7.9
138.05479	6.2
140.07085	6.2
148.06070	14.8
150.05476	24.4
160.07631	5.6
164.07066	6.2
167.08205	10.6
172.43727	4.6
172.96059	4.8
174.09132	5.8
177.10213	9.0
178.08623	47.1
181.43781	4.9
183.01213	4.2
188.07024	4.4
194.81230	3.9
202.08701	11.7
205.09705	16.1
206.08139	5.1
219.11305	9.6
247.10741	32.8
251.10281	8.0
265.11850	10.9
279.09738	22.8
289.11981	9.2
297.10715	18.7
394.16138	25.5
436.10959	5.8
436.17084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.1
55.93951	8.5
59.31895	8.2
59.97235	9.1
66.80482	9.2
66.89623	8.0
67.05483	9.9
69.03419	47.0
69.98820	11.8
70.06582	15.7
75.08440	9.2
79.05489	11.1
81.03396	29.4
81.07007	9.9
84.04524	15.7
85.02903	100.0
86.09705	23.9
87.00829	25.8
88.52978	8.9
91.05474	17.8
91.70992	12.7
93.07035	33.0
95.04982	9.3
95.08630	14.4
97.02889	38.5
99.04445	16.5
105.01844	54.7
107.08597	34.2
109.02866	38.6
127.03931	48.2
135.08069	32.1
136.36621	10.8
141.09071	13.4
145.04874	20.6
145.74493	9.6
150.30392	10.0
153.09119	42.0
159.03023	11.5
189.00766	11.3
259.60910	12.4
340.21237	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70370	8.4
57.52701	7.0
60.88377	6.8
61.02900	12.3
61.48357	7.2
69.03414	10.8
70.06606	9.5
72.05954	8.8
79.05467	13.1
80.45047	7.5
82.47796	8.9
84.04491	20.0
84.08142	10.5
85.02898	39.4
86.54327	8.3
87.00817	13.3
91.05492	22.9
91.23647	8.9
91.71642	21.2
93.07035	100.0
95.04938	11.8
97.02892	20.8
105.01875	18.1
107.08623	54.1
109.02845	10.1
126.05537	10.3
127.03922	20.0
135.08099	14.5
138.05496	17.4
153.09061	16.3
177.90744	8.6
231.05103	13.5
237.10098	10.7
433.93643	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	11.3
58.78146	6.8
67.20758	7.5
69.03412	24.6
70.06559	16.4
72.08128	7.5
79.05473	24.2
81.03394	18.9
81.07042	14.2
83.89271	9.1
84.04486	26.3
85.02892	71.9
86.09700	15.2
87.00828	21.5
88.03963	20.1
89.79961	7.3
91.05478	19.3
93.07052	17.8
93.07571	7.3
95.04966	16.1
95.08652	8.4
96.04476	10.2
97.02857	24.5
99.04417	10.3
105.01868	36.2
107.08598	16.8
108.15631	7.9
109.02872	13.9
109.10050	8.5
114.18995	7.8
118.06519	15.5
123.11564	7.8
126.05534	31.1
127.03941	41.2
128.47987	7.7
134.06033	11.0
135.11690	32.1
136.07516	9.5
136.33150	8.0
138.05504	29.9
148.67776	8.7
162.05495	100.0
164.07069	80.6
178.05009	31.9
180.06541	22.2
186.07680	19.0
285.12375	33.4
291.17664	8.5
295.09241	22.1
303.13544	19.7
343.66064	9.1
375.42001	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.9
56.04998	4.5
57.45582	3.2
64.06078	4.3
70.06584	6.0
77.88689	3.8
81.03415	4.2
81.07047	6.1
84.04492	62.1
85.55310	4.3
86.09703	9.9
96.04459	25.1
98.06039	11.8
108.33544	3.9
126.05515	56.0
127.03931	8.2
138.05487	100.0
144.06578	17.3
168.06482	25.4
186.07646	29.5
204.08693	9.3
277.26410	4.4
366.28595	6.3
400.23660	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44237	4.7
53.87964	4.0
60.04513	4.7
70.06577	6.5
76.74171	4.9
81.03394	9.7
84.04493	75.1
86.09688	6.8
87.25346	4.2
96.04472	24.7
97.02882	6.5
125.85481	4.5
126.05497	63.6
138.05484	100.0
144.06573	16.7
168.06551	19.4
179.28085	5.1
179.94418	4.8
184.07335	9.1
186.07582	36.1
195.96634	6.2
204.08698	13.9
395.03922	6.5
418.24298	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87780	22.7
56.85376	27.6
60.04505	96.3
62.49637	26.2
66.08372	31.0
72.04494	54.3
77.30476	26.1
86.94427	27.5
96.04493	62.0
108.87984	33.4
114.05531	86.1
124.03946	34.1
125.02409	32.8
132.06628	51.6
142.04935	46.1
165.68848	36.0
178.64824	39.1
179.46423	41.4
194.92973	40.3
196.08296	54.2
202.07054	85.0
220.08185	100.0
393.06168	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00941	14.3
60.04517	100.0
60.04753	14.1
64.55449	15.8
68.05021	21.6
69.03410	27.0
70.12078	13.7
83.11279	15.4
96.04472	46.0
98.06059	17.3
112.03970	39.8
114.05544	61.7
124.03941	28.4
128.50880	16.6
132.06567	35.5
142.05032	66.6
160.06020	27.7
178.07155	26.2
193.92557	17.6
202.07152	59.2
220.08156	78.3
262.09448	26.6
394.54950	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57272	2.4
65.03948	5.6
91.05470	100.0
98.98476	5.5
106.06578	7.7
158.85701	2.6
160.75223	2.8
166.07753	3.4
171.51534	3.2
181.10161	6.8
199.69688	2.6
211.79797	3.0
296.33990	2.8
395.35315	5.0
415.98901	3.4
436.35760	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10854	3.3
61.56278	3.1
61.80854	2.8
77.20266	3.7
87.09818	3.6
120.85499	3.7
136.94075	7.1
163.52707	3.6
172.76869	4.0
185.68019	3.9
235.04521	9.5
253.05476	84.7
253.07979	7.2
295.06494	100.0
353.09564	4.5
377.05814	8.1
395.06595	67.9
425.49551	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	27.7
60.08131	8.4
63.52069	4.6
66.65357	5.0
67.05166	9.3
67.05494	89.0
69.07050	33.9
71.04971	10.3
77.51077	5.3
78.56677	5.6
79.05489	28.4
79.51554	4.7
81.07048	97.6
83.08613	24.7
91.05460	30.2
91.37199	5.3
93.07038	53.9
95.04964	7.7
95.08595	100.0
97.10173	16.5
105.07026	23.3
107.08596	41.3
109.06473	5.4
109.10152	37.8
119.08545	30.3
121.10126	32.5
123.11686	7.5
127.12457	5.8
131.08580	14.3
131.83926	6.3
133.10115	10.2
135.11728	18.1
145.10138	18.4
147.11655	14.0
149.13203	6.8
159.11664	11.7
279.29117	6.2
291.43848	6.8
384.32687	15.0
385.30930	48.4
402.33636	48.9
403.32028	19.3
420.34583	20.4
437.37213	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13882	2.9
51.80487	2.8
53.03932	3.0
55.01857	7.5
57.03428	8.6
67.05509	6.2
69.03146	3.4
69.03426	39.9
69.07017	3.6
70.06601	4.4
71.04984	8.0
77.35050	3.2
81.03432	18.3
81.03837	3.4
85.02896	100.0
87.00821	27.0
95.08599	24.1
97.02877	23.6
97.06532	5.9
99.04456	11.6
105.01868	59.3
109.02847	21.3
109.10152	44.2
113.09624	5.9
118.77319	4.0
120.08093	3.9
127.03913	50.7
127.11172	5.5
137.09637	16.2
145.04985	13.3
155.10641	63.8
173.11691	52.7
185.38075	3.6
200.69705	4.3
231.04970	14.3
249.06039	7.4
311.72321	5.1
405.73383	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	14.7
57.07064	19.9
60.45321	17.5
62.67636	15.1
67.05518	18.1
67.44185	13.7
69.03426	45.8
77.07854	16.2
81.03413	43.9
81.07060	16.9
85.02904	100.0
87.00825	32.8
91.05537	17.5
96.03713	16.4
97.02905	33.9
97.10196	26.6
105.01910	33.8
109.02874	41.8
109.10172	24.5
124.69876	20.6
127.03963	76.2
131.61633	16.9
137.09613	28.4
137.13295	72.9
155.10707	51.2
165.05489	18.7
173.11832	49.3
173.15471	57.3
194.45882	17.8
214.62326	19.4
231.04973	22.3
329.60965	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05870	8.6
59.55376	8.3
60.10009	7.8
69.03415	38.4
81.03404	20.5
84.04424	10.1
84.04931	9.8
85.02896	100.0
87.00806	39.3
97.02885	35.4
97.32784	10.1
105.01861	51.9
109.02866	27.4
116.89371	10.5
127.03895	77.1
145.04977	20.8
159.02840	12.9
231.05067	22.4
292.48013	12.2
418.79025	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
53.79715	1.5
55.01867	4.6
57.03420	4.0
57.96795	2.1
61.47541	1.7
63.34944	1.8
67.05494	8.7
69.03423	30.2
71.04974	4.7
73.02899	4.4
80.62807	1.7
81.03403	19.2
81.07045	3.5
85.02896	53.3
87.00817	13.0
93.07027	5.5
95.08601	15.9
97.02882	14.4
99.04469	9.4
105.01874	16.6
109.02848	14.9
109.06492	3.0
109.10126	13.1
111.08077	35.7
119.08587	3.6
127.03915	27.2
133.40599	1.9
137.09615	49.6
145.04990	7.5
155.10658	100.0
159.02904	5.1
168.06606	2.7
173.11707	30.8
213.03926	4.5
231.04996	5.9
245.65126	2.5
387.90707	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.6
55.05501	12.0
57.07055	5.5
59.04991	8.6
63.92951	4.4
67.05502	22.5
69.03424	24.6
69.03751	4.0
69.07061	18.7
70.06585	6.2
71.04979	18.2
73.32877	5.0
78.91674	4.1
81.03400	18.4
83.08619	21.9
85.02895	47.6
85.06550	18.3
86.09702	4.7
87.00813	11.4
97.02881	27.0
99.04463	8.2
99.08132	6.5
105.01875	13.2
108.99014	4.7
109.02874	28.2
109.03530	4.5
109.10155	86.7
113.06017	17.8
127.03920	34.4
129.09119	39.2
136.76810	4.9
137.09595	5.7
145.05002	6.6
152.08681	4.1
155.10663	100.0
155.56435	4.7
173.11716	97.3
190.14423	5.3
231.05025	8.6
282.04211	6.3
409.95099	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.6
55.05471	1.9
57.07067	20.8
59.04984	4.2
63.40111	1.6
67.05494	1.5
69.03414	6.6
69.07058	7.6
71.04981	2.5
80.72227	1.9
81.03397	5.1
81.07038	3.1
85.02905	18.0
87.00807	4.1
95.08607	4.6
97.02877	7.1
97.10153	2.8
99.04439	3.4
102.94292	1.7
105.01827	5.3
109.02879	5.8
109.10100	2.7
124.79939	2.1
127.03871	8.9
137.13263	12.2
145.04915	3.7
146.09537	2.0
155.14297	100.0
159.02870	2.0
173.15347	29.4
191.14246	1.9
230.86617	2.1
325.48737	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34355	18.4
56.68530	16.7
58.85297	17.9
65.13551	15.9
66.77025	15.9
70.06578	33.8
78.23508	17.2
78.76775	21.4
85.48622	22.2
88.07629	29.4
102.09177	23.2
128.06245	24.0
149.02348	88.2
175.12297	22.7
178.55067	18.4
193.04980	100.0
195.35173	21.1
228.23222	77.1
237.07605	88.5
293.62814	20.1
353.38602	21.2
438.28558	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40986	7.4
51.60207	7.8
57.07069	23.8
59.05007	11.9
67.05490	18.0
69.03403	31.3
69.07047	14.0
71.04986	77.8
79.05515	16.1
80.53015	10.6
81.03397	18.9
81.07024	16.6
85.02883	50.8
85.06538	28.8
87.00852	20.2
91.05477	23.3
93.04702	11.5
93.07022	13.3
95.04968	26.6
95.08580	14.2
97.02886	26.4
105.07053	30.1
107.08587	29.2
109.02879	16.6
109.06526	13.4
109.10159	27.1
119.08578	30.1
121.10137	55.0
123.08051	38.9
131.08571	37.7
131.67372	9.8
135.07996	12.1
137.13255	17.5
143.08553	13.4
145.10182	25.9
147.11691	28.3
155.08598	15.8
155.14299	100.0
156.14662	59.2
157.10121	63.5
159.11719	13.8
164.54166	10.7
169.10127	12.3
171.11674	22.7
173.13290	26.6
173.15375	37.4
174.15729	33.9
182.10922	17.0
191.14310	68.9
191.27621	12.5
197.13374	25.5
198.82956	11.0
212.19644	9.9
215.14331	29.6
239.14331	19.4
272.32098	11.2
281.15451	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	19.1
55.05513	20.8
57.07080	7.9
60.08151	10.6
63.43808	7.5
66.06483	7.1
67.04384	9.0
67.05499	17.5
69.07064	29.3
70.06590	18.6
71.04980	20.5
71.08662	10.1
71.78957	8.1
81.07055	24.1
83.08599	24.4
85.10150	9.3
93.53548	8.7
97.10204	11.0
380.31564	29.5
439.38992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93434	11.0
55.01860	12.7
57.43986	9.4
69.03415	43.8
70.06580	25.5
71.04972	59.7
79.05478	16.3
81.03408	23.4
85.02887	100.0
85.06542	13.1
87.00813	13.0
93.07055	20.5
97.02873	22.2
97.06518	26.6
105.01851	47.4
109.02890	26.9
112.09946	11.7
115.07568	41.7
127.03937	46.0
127.99174	12.9
129.09126	23.8
145.04858	15.0
157.08606	49.6
159.02872	17.3
159.61183	12.2
175.09633	73.6
183.28876	12.0
227.93202	14.4
233.30380	12.7
339.54059	14.5
431.35004	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41628	2.3
54.15428	2.1
56.07428	2.2
57.21585	1.9
70.06581	5.9
79.09293	2.2
84.76343	2.5
85.02891	2.9
85.15903	2.5
86.09698	2.5
98.69244	2.1
104.32249	2.3
116.06979	2.2
117.44077	2.0
120.27385	2.1
147.96805	2.3
183.14856	2.6
201.06609	2.6
202.07266	6.0
217.09731	6.2
257.09274	7.6
259.10794	2.8
261.08649	44.9
285.08691	13.0
287.47110	2.5
290.26065	2.8
299.48459	2.6
303.09717	100.0
304.10074	2.6
368.69040	3.1
431.70816	2.4
440.18082	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02546	8.5
61.48667	8.3
65.79464	9.5
69.03415	18.9
71.77133	8.9
72.87625	8.5
73.78982	9.7
76.65717	9.1
80.21274	9.2
83.08609	24.5
85.02890	25.1
86.09717	12.2
97.02915	11.7
105.01907	11.5
109.56091	10.7
126.11764	11.0
137.88948	9.7
147.04578	10.1
151.07619	14.3
154.06250	22.4
173.42969	11.2
184.07396	26.8
197.08051	100.0
330.54181	11.0
419.25540	12.1
457.20050	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33337	6.8
55.05492	9.1
57.03428	6.0
59.60998	5.4
60.15754	4.9
63.89503	5.9
69.03415	31.5
69.07054	65.2
70.06573	12.5
73.02556	6.8
81.03402	24.7
81.07069	8.1
85.02899	100.0
86.09695	12.6
87.00845	11.3
97.02888	22.1
99.04432	8.5
105.01862	31.6
109.02883	33.7
111.11715	32.7
125.00012	8.8
127.03923	57.1
139.11162	42.8
145.04987	10.8
149.01711	6.9
157.12225	76.0
159.02919	13.0
166.66881	9.3
175.13362	21.0
197.36963	7.5
213.04219	7.9
231.05037	10.0
252.79059	7.8
311.67004	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24507	6.6
65.02302	6.8
67.05479	6.2
69.03415	19.9
69.07050	47.8
70.10337	7.2
81.03439	12.2
84.42271	8.3
84.81568	8.5
85.02882	39.5
86.09708	8.2
91.71082	13.5
97.02917	8.3
104.10752	13.1
109.02856	10.7
111.11704	40.3
119.12086	7.6
119.77592	7.1
127.03927	12.8
133.98087	8.4
137.00784	10.3
139.11195	8.8
140.82887	8.8
153.91080	10.0
157.12227	100.0
175.13261	14.7
188.60335	10.2
199.67065	8.7
299.49680	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38572	9.8
66.87593	13.0
69.03410	39.6
69.07064	23.2
81.03409	27.7
85.02912	100.0
87.00810	23.5
91.11610	13.0
94.82299	13.2
97.02889	25.5
102.14130	11.2
105.01871	52.8
109.02843	30.5
127.03864	74.3
134.47742	14.9
145.04924	16.4
151.07130	14.5
159.02794	22.1
187.87456	13.7
206.42833	12.5
217.76334	15.1
231.05025	20.4
247.17368	16.2
403.68851	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	8.7
61.02928	5.8
69.03426	30.0
69.07048	22.8
73.02915	6.9
80.83930	5.2
81.03412	31.8
85.02891	100.0
87.00819	24.3
97.02898	32.3
99.04410	9.2
100.86497	6.3
105.01867	42.0
109.02872	33.3
111.11713	8.5
127.03897	73.8
140.38307	6.8
145.04973	14.7
159.02806	15.7
231.04997	21.5
256.77148	7.2
312.62085	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49911	18.7
57.03437	25.8
57.07073	54.9
66.85712	19.0
67.05467	18.3
70.47234	18.5
71.08604	40.3
86.09668	23.6
93.02914	17.5
93.24995	19.9
95.08595	38.5
105.63100	18.9
123.36852	24.2
182.50606	19.6
188.15535	20.4
197.87527	20.8
222.12056	29.0
251.53807	21.4
276.05420	21.6
299.25824	100.0
300.79712	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44307	5.1
56.96558	63.2
63.17791	5.4
84.96010	16.4
95.95132	6.7
98.97575	72.7
100.57037	5.8
104.88663	6.1
107.13883	5.4
110.97573	24.2
116.98617	39.8
120.62350	5.1
126.60379	6.8
128.98596	29.9
131.00194	6.0
134.99655	11.6
140.00191	41.9
146.99683	21.3
152.00191	33.2
154.01820	8.0
158.01282	15.0
161.01228	13.2
163.03917	9.9
170.01274	19.3
174.29524	6.2
181.02890	20.4
182.01277	8.0
184.02927	10.2
192.76515	6.1
200.06813	6.8
207.04417	7.8
212.02422	12.3
219.01810	15.7
237.02827	29.3
242.03305	56.7
255.01813	10.5
260.04285	30.7
273.02792	17.7
278.03281	7.0
283.06244	28.7
296.04337	8.7
334.89371	6.5
356.04276	11.8
381.04855	21.7
399.06049	28.5
422.07520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67338	5.8
51.68404	5.0
56.96556	40.6
60.60161	6.6
69.56767	5.9
84.96059	13.9
91.71617	6.7
98.97573	95.4
98.98128	7.4
110.97615	19.8
116.23582	7.1
116.98596	45.3
128.98659	27.9
134.99689	21.6
140.00185	69.6
140.98692	10.3
146.99718	14.6
152.00212	19.9
158.01306	26.9
158.99614	33.6
161.01299	8.5
167.43573	7.5
170.01289	17.2
170.99721	24.6
173.48985	6.8
177.00789	18.2
181.02914	27.5
182.01347	16.1
182.99748	23.6
189.00833	23.7
193.03012	8.2
200.02324	52.8
201.00665	46.2
204.73668	7.5
212.02293	34.3
219.01855	27.9
224.02310	42.6
237.02829	16.3
237.83575	8.3
242.03271	36.9
243.01817	20.7
260.04669	12.4
261.02753	82.8
279.03876	35.6
283.06061	10.4
284.04529	26.7
291.04117	11.7
302.05392	100.0
314.05600	14.5
321.04834	56.3
332.06754	10.5
369.45383	8.5
441.09317	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
56.05011	2.2
56.96544	1.6
58.52090	1.9
60.01093	1.7
60.04528	1.7
62.99066	2.5
66.05422	1.5
69.03419	5.6
70.06601	1.9
81.03425	3.8
84.04502	13.4
85.34992	1.7
87.02711	1.9
91.38480	1.8
93.60867	1.6
96.04485	11.2
97.02901	4.6
98.06065	6.9
98.97564	3.0
99.04416	2.8
103.05458	5.0
105.03706	10.9
109.02859	4.7
115.48100	1.7
116.98659	2.4
120.08096	63.2
126.05512	20.4
134.78333	1.7
136.07635	2.9
137.07919	3.1
138.05493	100.0
144.06541	16.5
150.56938	2.1
158.99472	2.3
165.05489	3.9
166.08615	18.5
168.06583	17.9
177.05780	9.2
177.25023	2.0
182.08160	4.6
183.08504	3.0
186.07614	23.2
194.08475	6.5
224.02455	2.6
261.02817	2.2
276.10757	28.7
302.05356	4.0
312.12827	2.9
451.36401	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40171	1.3
57.07062	2.1
69.07059	4.8
79.05477	4.3
87.02689	2.5
91.05467	6.6
91.70988	2.5
100.62013	1.5
103.05463	3.8
105.07023	28.9
106.07784	3.3
107.08591	2.0
133.06485	20.2
134.07271	13.3
135.08046	100.0
151.07510	8.2
165.03680	18.0
167.05281	5.3
171.91600	1.6
179.05229	5.0
245.98611	1.8
248.67317	1.7
274.99670	1.7
277.16147	12.2
295.17212	44.6
295.20416	3.2
378.78360	2.0
390.58228	1.8
398.62933	2.1
441.35754	2.1
462.99933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
65.37893	11.7
65.67483	9.9
69.10920	9.7
81.07045	19.6
91.05461	18.2
93.07036	17.0
95.08606	17.1
98.98484	12.3
107.08619	22.8
109.10134	16.0
151.14828	18.1
155.08565	13.6
163.85489	12.5
301.21460	15.7
437.03513	14.8
441.33652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51523	12.7
56.96585	12.8
57.46620	13.8
70.06573	31.1
71.08626	25.6
71.52384	12.8
73.69071	13.8
88.11258	33.8
91.05469	20.7
93.49815	17.3
100.11255	71.5
111.04488	19.2
128.07152	21.1
136.83231	16.4
145.46989	14.4
152.04085	19.5
170.15411	100.0
182.15405	55.9
198.14992	56.8
210.14946	51.5
238.29102	18.6
276.76190	18.1
361.13040	18.2
424.31689	28.3
441.24585	20.5
441.34259	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
72.91206	0.5
86.09732	0.7
88.90462	0.4
91.05458	2.6
91.71555	0.6
93.07037	5.6
95.04965	1.5
98.77168	0.4
103.05460	3.9
121.06497	100.0
122.06834	1.0
132.10168	0.5
138.09135	27.2
204.14610	0.5
210.92207	0.5
406.52585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19065	7.3
63.09536	7.1
83.84229	8.7
84.77409	9.3
109.10145	28.6
111.08080	69.0
127.11185	64.1
137.34013	11.1
163.08842	12.5
169.12262	100.0
170.13306	11.1
173.50050	9.6
207.68526	10.6
286.83813	10.0
321.04871	10.9
398.50531	9.9
454.70975	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92475	3.9
55.01843	5.5
69.03414	9.0
70.06583	20.2
72.08144	8.7
75.25607	4.2
81.03414	10.1
84.04450	4.3
85.02901	25.7
86.09729	7.5
89.03931	6.9
97.02877	22.3
105.01881	5.4
109.02893	16.3
109.04173	4.1
117.03373	14.0
121.06469	5.6
127.03938	12.5
127.52015	4.6
145.02875	25.2
146.03191	5.3
149.05917	5.9
177.05464	100.0
182.54099	4.7
186.05565	15.4
193.74251	4.9
195.06561	14.9
275.20917	4.9
330.30865	5.6
333.42636	6.5
467.65561	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89809	4.0
56.16053	4.1
59.86420	4.5
65.88592	3.8
67.05482	4.1
69.03415	10.1
70.06580	21.8
70.73800	3.6
81.03395	10.3
84.04493	11.0
84.08173	8.5
85.02900	25.4
86.09698	6.3
87.00813	6.1
95.08622	7.6
97.02884	5.1
105.01853	9.8
109.02915	7.5
113.09650	8.5
122.06042	7.4
127.03939	14.8
144.78046	5.0
164.07095	9.4
169.34715	5.2
183.85109	5.3
209.22188	6.1
357.14969	6.6
399.16162	25.4
443.15189	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40903	2.8
70.06581	6.9
71.34012	3.3
72.76376	3.6
77.97923	3.7
79.28885	3.3
80.89918	3.6
84.04478	10.9
85.02887	4.5
86.09704	10.7
90.22990	4.0
91.71705	4.8
97.90768	3.4
118.97290	3.7
120.08091	4.1
122.09697	5.4
126.05300	4.2
130.04988	4.4
141.94386	3.8
142.03360	4.9
164.07144	4.2
177.09160	4.7
195.09956	11.8
220.09732	14.6
237.06996	4.1
261.08755	13.1
267.99191	4.5
293.30765	4.9
357.14963	6.3
399.16281	42.7
443.15219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50183	4.5
70.06577	10.6
84.92747	4.9
93.42470	5.9
104.17152	6.1
112.02193	19.9
125.38328	5.3
168.08380	9.1
195.13654	9.3
210.90465	7.0
262.80820	6.2
295.32443	7.8
355.42593	7.1
399.19846	24.7
415.43027	6.1
415.48883	8.0
443.18866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50547	7.5
55.80274	8.7
56.70775	8.1
56.87487	7.6
57.07063	7.4
57.11544	7.8
62.60663	8.0
71.21326	8.2
77.86539	9.6
79.21032	8.9
88.06245	8.9
138.05537	8.4
182.91780	9.4
198.48193	9.6
198.74342	10.7
203.12776	13.1
256.07907	10.5
258.03339	9.6
276.79156	10.4
331.72012	10.5
444.21808	100.0
444.26630	9.5
464.02707	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06799	5.7
57.07067	91.9
65.58816	2.9
67.98361	3.0
73.13244	2.8
73.54996	3.0
74.19267	3.0
89.05464	4.1
89.06020	74.0
89.06538	5.5
90.13166	3.5
91.05467	10.6
93.07052	17.2
95.04951	9.0
101.68825	3.6
119.08627	8.2
121.06501	86.9
130.08623	13.0
133.08607	45.1
143.81476	4.0
147.08043	9.6
165.09088	28.2
177.11226	8.4
209.11757	18.2
227.12891	5.6
233.19009	17.4
277.21539	10.8
305.77139	4.4
315.17984	100.0
427.30475	26.7
442.71301	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05461	8.6
57.12775	7.7
70.06575	17.3
86.09704	19.6
114.07299	12.3
126.13140	11.2
126.14975	10.4
135.16557	9.4
143.10686	12.7
224.88930	11.0
255.95256	12.4
393.06729	11.1
401.17520	36.9
445.16858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61371	6.6
50.96347	8.1
54.43538	8.6
55.84862	7.0
58.23138	7.1
58.62488	7.1
70.06576	11.7
86.09710	20.5
87.20863	8.7
91.71104	8.6
93.07047	12.6
111.90628	9.8
114.09167	9.6
131.07245	8.4
138.09056	9.1
143.16095	8.2
203.12697	9.8
224.69147	10.0
244.27615	10.3
401.17618	22.4
445.16748	100.0
454.92191	8.8
458.51617	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	100.0
91.05514	10.0
96.48312	7.0
97.99238	7.5
98.97641	11.3
109.69385	6.8
119.63612	7.7
145.50677	7.6
149.79265	7.6
172.27571	8.0
184.07254	8.7
253.09169	14.8
408.16443	11.6
427.15811	11.2
445.16931	34.6
445.97824	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63787	1.0
55.01873	1.0
56.85955	1.0
57.03432	1.7
57.07079	1.1
59.04993	1.2
60.33558	1.1
61.02915	1.4
67.05486	1.7
69.03415	9.9
70.06586	2.7
71.04985	1.7
72.08102	1.4
76.02225	2.0
81.03417	5.4
81.07073	1.9
83.04990	1.2
84.04508	3.3
85.02898	20.2
86.09689	4.0
86.54288	1.3
87.00818	5.3
91.05469	5.4
93.07027	8.3
95.04974	2.1
95.08600	1.5
97.02888	4.6
99.04450	2.1
105.01884	4.5
105.07011	6.7
107.08587	18.8
109.02894	6.8
109.06529	1.8
109.10191	1.7
119.08583	2.2
121.06465	1.2
127.03909	9.4
130.05064	1.5
133.10107	22.5
135.11702	20.5
139.11191	3.0
145.04956	2.0
145.39017	1.2
151.11171	2.3
151.86829	1.3
161.09592	8.4
163.06001	1.3
179.10655	29.4
189.99190	1.2
194.97258	1.5
197.11716	100.0
203.12816	1.6
238.14374	2.0
446.37350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57718	3.9
55.05490	13.6
55.20416	4.2
57.07053	6.8
64.39600	4.1
67.05498	5.9
69.07048	21.0
71.08605	4.5
81.07040	14.0
83.08601	11.7
89.81271	4.4
93.07047	5.7
95.08599	13.9
97.10184	7.3
104.66862	4.3
109.10133	5.5
121.10158	7.4
121.55360	4.1
137.09615	14.0
149.09656	7.1
163.11206	10.5
165.09088	100.0
177.09161	6.5
191.10599	7.3
203.10695	5.7
223.51968	4.6
420.89020	5.5
427.35632	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
54.24049	2.0
55.01889	7.1
61.02939	4.1
61.69995	2.2
61.70313	2.2
66.37309	2.2
69.03432	24.8
69.71205	2.6
71.04990	3.5
73.02936	3.4
76.65339	2.4
80.60264	2.1
81.03414	23.6
85.02899	63.8
86.09720	3.4
87.00826	20.2
89.03933	5.9
92.01709	2.9
97.02888	31.1
97.03402	3.2
99.04484	13.2
105.01871	27.1
109.02876	23.2
119.65420	3.0
127.03918	53.0
127.04785	4.5
129.01799	3.6
135.04390	14.1
135.55687	2.9
140.62480	2.8
145.02834	7.3
145.04939	18.8
147.02948	3.3
150.92075	2.8
159.02905	13.7
162.93303	2.8
163.03893	100.0
181.05037	10.2
186.05576	3.9
231.05096	10.1
415.13910	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85495	0.7
54.91437	0.7
56.12493	0.6
58.06581	2.2
68.05001	1.5
69.03419	9.2
70.06554	0.9
71.81808	0.8
79.94226	0.7
80.48320	0.7
83.69247	0.8
86.06053	19.7
87.04456	58.7
88.61455	0.8
91.79573	0.9
102.62902	0.9
104.07092	100.0
115.85957	0.9
239.55905	0.8
265.02100	1.2
295.46286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.05518	8.0
57.03429	3.4
58.99577	20.1
62.11136	2.5
64.96335	2.0
67.05511	6.0
68.07735	2.4
69.03441	4.2
69.07062	3.8
70.06586	3.2
71.04969	2.6
71.08614	3.9
76.02219	100.0
76.04019	2.6
79.05509	7.5
79.18768	2.1
81.07052	5.3
83.04973	28.4
83.08624	2.3
84.04494	30.0
85.02898	4.8
86.09728	9.7
86.99055	4.1
93.07064	10.6
95.08615	3.6
100.02248	2.9
105.07117	2.6
116.01683	20.9
121.36798	2.7
124.19315	2.2
127.04025	2.5
129.06656	2.3
130.04985	14.1
130.54843	2.8
131.89162	2.5
139.11177	58.2
142.03316	9.8
144.01186	10.4
162.02184	33.1
179.04854	66.7
180.11018	3.7
187.58058	2.8
197.11813	4.6
198.12109	2.9
202.50221	2.3
233.05898	16.0
244.35524	3.0
278.83951	2.5
308.09036	23.3
310.51175	3.0
352.93341	3.0
447.18442	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93806	3.9
55.05506	6.4
58.99567	16.6
64.28571	3.8
67.05490	7.2
69.07048	4.4
70.06582	9.2
76.01823	7.5
76.02220	100.0
79.05479	9.9
81.82932	4.7
83.04975	29.4
84.04498	39.3
86.09705	7.7
92.38302	4.0
93.07055	10.6
97.06566	4.4
100.02191	6.9
102.05513	4.5
111.87395	4.0
116.01667	13.9
130.04971	12.2
139.11182	65.8
142.03137	6.1
144.01128	14.6
162.02199	36.1
167.95345	5.0
172.00305	4.9
179.04842	72.1
193.81808	4.8
199.76424	5.2
233.05853	20.6
280.16287	4.9
308.09064	28.1
326.73187	5.1
330.36020	4.8
360.10333	4.5
453.01587	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88427	54.4
57.08953	60.4
69.45980	57.8
76.88536	72.8
81.47738	62.6
81.77601	70.2
87.99734	68.3
96.57697	61.2
99.08140	62.4
105.54327	69.0
106.50461	68.0
112.16013	74.9
114.05492	100.0
117.06966	86.4
134.02390	65.3
136.81503	85.2
143.61533	75.4
149.79654	79.0
160.36218	75.8
168.91757	67.3
182.35403	75.6
200.11554	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28522	5.3
56.13367	5.3
56.96561	59.3
59.88852	5.4
60.08134	5.7
66.26573	6.0
69.03420	7.2
70.06576	21.3
79.64699	6.6
84.04485	18.1
86.09707	15.6
91.12482	6.4
91.71600	8.2
97.99173	9.1
98.97581	12.7
116.07098	11.0
116.98623	10.0
130.04987	8.7
131.00169	7.0
140.00157	14.1
147.07625	12.0
154.01910	6.8
199.06334	40.7
200.02310	12.6
217.07486	75.1
222.07951	57.4
235.08537	29.6
240.08984	72.5
240.15732	7.2
241.07568	8.5
256.95404	8.3
258.10135	25.7
259.08386	9.8
263.10645	43.1
281.11746	18.8
282.10092	19.2
283.08496	13.0
301.09491	8.8
324.11279	22.9
361.11606	34.8
402.13882	12.2
403.12711	100.0
444.15625	16.7
447.12360	13.7
447.30630	12.8
452.15582	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28522	5.3
56.13367	5.3
56.96561	59.3
59.88852	5.4
60.08134	5.7
66.26573	6.0
69.03420	7.2
70.06576	21.3
79.64699	6.6
84.04485	18.1
86.09707	15.6
91.12482	6.4
91.71600	8.2
97.99173	9.1
98.97581	12.7
116.07098	11.0
116.98623	10.0
130.04987	8.7
131.00169	7.0
140.00157	14.1
147.07625	12.0
154.01910	6.8
199.06334	40.7
200.02310	12.6
217.07486	75.1
222.07951	57.4
235.08537	29.6
240.08984	72.5
240.15732	7.2
241.07568	8.5
256.95404	8.3
258.10135	25.7
259.08386	9.8
263.10645	43.1
281.11746	18.8
282.10092	19.2
283.08496	13.0
301.09491	8.8
324.11279	22.9
361.11606	34.8
402.13882	12.2
403.12711	100.0
444.15625	16.7
447.12360	13.7
447.30630	12.8
452.15582	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98077	1.3
54.22311	1.3
56.05032	1.4
56.96565	2.9
60.08167	1.6
61.91844	1.3
70.06577	9.2
71.04990	2.0
72.08168	3.5
72.54373	1.4
73.62689	1.8
79.05468	1.5
81.03425	2.7
84.04494	75.5
86.09724	3.3
90.42020	1.5
101.07158	6.3
102.05525	2.6
116.07085	3.3
121.52333	1.5
123.04438	1.8
130.04997	79.1
135.33116	1.7
137.02374	1.8
141.01855	3.5
147.07639	100.0
165.01811	29.6
183.02879	35.3
183.04361	1.9
187.03984	1.8
199.06511	2.2
217.07663	3.1
240.09045	3.7
247.15298	1.8
257.78119	1.7
263.10907	2.5
281.11658	2.1
301.07037	10.9
403.12936	5.5
444.55206	1.9
447.18353	3.7
447.30957	6.6
464.50345	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12571	15.5
53.96846	16.8
66.31564	17.7
75.53520	19.6
115.77456	20.3
120.08086	52.0
124.07581	52.2
125.21013	20.4
142.73643	20.6
146.06049	40.0
147.06743	54.3
148.07599	82.0
154.83852	23.1
170.36942	24.8
172.39207	22.9
230.83670	26.1
257.12836	100.0
272.15201	61.0
324.10483	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11501	11.5
70.06568	15.0
76.48850	11.4
84.04489	45.9
85.02876	19.3
86.09705	14.8
88.21323	11.7
91.71668	17.9
94.52316	12.1
98.56494	12.2
101.38876	9.9
120.08127	13.6
123.20626	11.1
130.04939	11.6
133.90320	12.3
148.49744	11.2
155.01645	15.5
185.68709	14.1
219.11258	14.5
234.52991	13.0
237.61150	13.0
254.12044	63.2
271.06039	50.7
283.09979	32.8
300.12668	100.0
336.81778	16.8
349.13455	16.2
446.62326	17.0
447.17578	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.5
58.91924	10.1
67.52215	10.1
69.07056	42.0
69.62937	8.9
70.06589	28.0
74.00660	20.3
81.07069	13.6
83.04989	10.8
84.04496	82.2
85.02898	21.6
85.06524	18.3
86.09706	21.8
88.02222	15.9
88.04018	17.9
95.08579	15.4
97.02883	16.9
106.12713	11.0
107.08607	17.7
111.11724	62.4
121.10156	31.6
123.11675	19.7
127.03954	16.3
130.04979	46.0
135.11703	15.5
139.11244	13.4
147.07689	46.3
149.24847	12.5
165.01865	53.5
177.51817	12.1
179.10725	17.6
183.02901	45.6
186.02425	13.4
192.08894	15.9
199.13142	14.3
254.12132	41.4
276.26810	14.1
300.12622	39.6
301.07068	50.8
318.13684	100.0
405.34564	15.0
447.17886	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07292	2.3
53.03936	5.1
54.25720	2.5
55.01855	12.3
57.03417	3.9
61.02918	8.1
67.19962	3.1
69.03422	34.2
70.06579	4.8
71.04978	3.5
73.02905	8.4
80.07116	2.7
81.03413	37.0
84.04483	9.8
85.02898	100.0
86.09702	4.6
87.00831	22.3
87.44485	2.8
89.00668	2.7
91.03941	3.5
94.06644	2.7
97.02886	44.8
99.04446	19.9
100.72484	2.7
102.05541	3.8
105.01860	50.3
108.04444	7.0
109.02868	41.1
117.01842	4.8
123.04421	9.2
127.02959	3.9
127.03905	76.6
127.04790	4.5
129.01874	5.0
130.04977	5.2
144.24155	3.0
145.04950	33.5
147.02916	5.2
147.04413	7.2
150.05470	4.4
159.02898	25.1
165.05467	15.1
168.06447	3.9
207.06450	6.1
231.04904	17.2
231.11218	3.5
244.06013	3.6
249.05879	3.9
290.67911	3.4
291.08594	7.5
301.11752	7.1
448.11356	3.6
448.17175	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
60.04518	84.5
69.00394	1.1
69.03410	2.0
70.02938	1.2
72.72583	1.0
76.68806	1.0
79.79267	1.0
82.81425	1.0
85.02893	8.6
87.04469	1.9
88.03978	15.2
97.02882	2.9
101.59589	1.2
104.07117	1.7
106.05023	100.0
124.03964	4.3
127.03888	6.1
137.67172	1.4
145.04964	3.8
373.17218	1.6
375.19287	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.0
60.08167	3.6
61.01162	3.7
62.07634	1.8
66.57908	1.9
70.06593	7.6
72.08143	23.9
72.48481	2.1
72.67780	2.2
79.05568	2.6
83.06100	4.1
83.43385	2.2
84.04529	4.6
84.08145	4.9
86.09721	5.6
88.03969	2.5
105.03393	4.4
106.06568	2.9
111.05586	9.2
120.04456	24.6
126.06660	16.7
127.08801	3.6
130.06526	58.7
130.07425	4.5
132.04445	37.9
134.06049	13.2
144.08115	2.9
146.06097	2.7
147.81619	2.5
151.06210	9.7
157.07637	3.8
159.09239	3.6
178.88475	3.0
180.08109	3.9
202.09778	23.3
216.11349	5.8
225.10320	6.7
230.09181	11.6
232.10786	4.8
257.10416	4.4
259.11880	100.0
277.12802	2.8
284.11719	5.3
301.14224	7.8
302.12408	38.7
389.20108	4.2
406.17020	15.4
448.19495	92.8
448.27362	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77824	0.5
60.04522	6.9
70.06591	0.9
72.08141	0.8
78.65737	0.6
84.04487	1.1
85.02868	0.9
86.09676	1.2
91.05457	2.4
91.71545	0.9
93.07037	6.2
95.04946	2.1
103.05444	2.2
106.05026	7.4
111.08778	0.6
121.06498	100.0
123.04439	1.1
138.09138	28.1
167.80255	0.7
340.01669	0.9
377.72021	0.7
419.58093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
53.30548	5.1
56.18187	5.8
58.96782	6.1
60.04284	6.2
60.04521	78.8
67.05493	12.7
67.22374	6.3
68.05026	35.8
69.03419	18.4
70.06573	13.8
72.04504	24.8
74.02411	7.6
79.05413	6.5
81.03400	11.7
81.07053	21.3
84.04491	22.8
86.09708	14.6
88.03965	6.8
90.97577	6.2
93.07044	7.5
96.04495	61.2
97.02896	23.9
98.06068	18.1
102.44470	5.8
112.03969	45.4
113.02341	15.0
114.05517	100.0
122.06125	6.7
124.03178	6.8
124.03911	35.9
125.02365	17.2
132.06555	28.8
138.05504	8.0
141.48599	8.1
142.04976	65.9
147.11676	13.4
156.06583	22.4
160.06053	32.7
166.04988	9.1
172.06087	7.3
174.07703	18.3
178.07149	21.7
184.06006	17.5
202.07120	60.5
208.19357	8.3
220.08188	40.4
253.09850	7.7
262.09341	17.3
267.70105	7.1
319.55820	9.3
354.38867	7.4
448.21420	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46746	3.6
60.04520	21.3
67.05483	11.8
68.05012	16.0
69.03419	7.9
70.06610	12.2
71.05296	4.7
72.04501	19.2
81.03407	67.3
81.07053	14.1
84.04478	14.1
86.06081	5.6
86.09685	6.5
91.05497	7.3
93.07048	5.3
95.08614	6.3
96.04489	100.0
97.02892	8.8
98.06054	17.0
111.04482	6.2
112.03952	13.6
114.05528	37.8
119.08646	6.7
120.08132	6.7
122.99232	5.2
124.03944	43.3
125.02374	11.2
128.39799	5.4
132.06583	23.1
138.05542	13.8
140.07045	47.2
142.04999	42.3
147.11682	12.5
156.06503	7.9
159.12134	5.0
160.06076	16.8
166.04991	75.8
175.56773	5.2
178.07103	12.2
183.97162	4.9
184.05934	7.3
184.07362	13.5
202.07089	27.4
216.92067	5.0
220.08128	13.5
234.78593	5.4
244.08090	29.1
268.75854	4.9
286.25446	5.8
433.44189	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97402	2.0
60.08144	8.7
61.01133	7.6
70.06573	9.8
72.08138	31.1
76.31636	1.6
84.08126	7.7
86.09701	2.0
87.02702	2.4
94.11259	2.2
106.06501	1.9
111.05582	2.9
115.02168	2.7
117.03709	3.7
120.04456	9.2
126.06655	6.4
127.08698	5.9
130.06519	100.0
132.04472	12.5
132.08267	2.0
134.05988	3.4
144.08038	3.2
151.06154	3.2
159.09172	7.9
170.09602	2.7
180.08086	3.0
182.09708	3.1
184.14380	2.6
196.19418	2.0
202.09776	7.7
203.12173	2.5
208.07542	2.2
224.66051	2.3
225.10188	10.1
230.09305	4.4
232.10663	2.4
233.26170	2.5
238.39993	2.2
243.11629	4.0
257.10400	2.2
258.08853	2.9
259.11887	34.1
260.14249	6.6
273.10437	2.4
276.80457	2.2
277.12897	2.4
280.91977	2.4
301.14041	4.2
302.12332	15.0
311.38153	2.6
389.20111	12.1
406.17191	6.7
429.33545	2.5
448.19351	44.8
448.27304	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.96720	0.8
55.05518	1.3
56.05017	1.7
60.04508	3.7
68.05022	3.0
69.03413	4.3
69.07066	1.1
70.06621	1.2
71.04998	1.0
80.05006	2.9
81.03401	5.4
84.04496	42.7
92.81467	0.9
95.08542	0.9
96.04485	19.6
97.02879	5.1
98.02409	1.0
98.06051	11.3
99.04451	2.7
108.04465	1.8
109.02859	5.8
114.05530	1.1
114.42909	0.9
121.47243	0.8
124.03967	1.1
126.05510	49.3
127.03887	1.4
138.05495	100.0
144.06558	20.1
149.61115	1.1
165.55338	1.0
168.06554	20.0
178.49524	1.1
186.07600	24.2
199.68056	1.1
204.08646	10.3
254.66176	1.1
429.64682	1.1
430.27856	1.7
462.75323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25563	5.5
57.37137	5.9
60.04519	9.0
64.69856	6.5
65.78763	6.4
70.05665	5.9
77.85709	6.1
81.03392	7.7
84.04499	92.5
92.11122	8.2
96.04482	23.3
98.06052	10.5
103.34444	8.2
109.02824	9.5
126.05522	100.0
138.05482	80.9
144.06592	17.0
147.26021	7.7
168.06540	13.3
186.07614	36.6
204.08719	13.6
226.38278	8.1
415.00299	9.2
465.48550	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09454	2.7
53.07980	3.2
57.07064	8.7
58.06592	3.6
59.71754	2.7
63.90482	3.9
70.06577	33.0
71.08640	6.9
84.88330	4.1
88.07622	31.8
93.52708	3.4
102.09200	21.5
104.02649	7.7
122.05862	3.7
132.02098	12.1
133.86673	3.9
136.01610	4.9
139.92679	4.3
140.59421	4.1
147.04387	40.0
148.05186	4.8
155.12010	4.1
175.03873	55.6
180.04221	7.7
186.24818	4.3
215.50038	4.1
219.06519	100.0
219.08475	6.9
228.71173	4.1
256.26355	53.3
278.94608	4.3
283.88840	4.5
348.80252	5.0
416.71939	4.7
448.30548	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94495	8.5
56.96549	47.7
57.03407	10.0
58.05597	9.5
58.94272	10.8
59.04996	9.8
66.88268	9.4
69.69651	10.3
70.03210	10.1
70.37835	10.5
81.26656	12.0
84.04489	18.2
84.96019	31.2
85.32079	10.7
86.09704	20.1
98.97564	100.0
112.99123	15.0
116.98611	50.1
131.00191	19.5
134.99654	20.7
136.12059	9.9
140.00171	65.7
149.01241	15.3
152.22546	11.3
154.01752	31.0
158.01270	41.6
158.99663	25.3
168.13338	11.0
173.01231	26.3
177.00757	18.8
181.02850	36.3
182.01285	15.5
191.02226	16.6
200.02315	53.7
214.03754	57.5
219.01808	22.9
223.03798	11.5
223.91330	10.3
225.56432	10.9
238.07462	24.6
239.38670	11.5
242.03452	40.4
256.08591	16.8
257.06839	12.4
359.10236	23.3
377.10822	13.1
400.12881	29.3
404.12241	17.0
449.10492	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76877	4.4
55.05508	10.8
56.34305	4.9
57.07064	33.8
65.03948	13.8
69.07017	5.7
72.60137	5.1
81.07053	7.9
83.04970	100.0
83.05383	7.4
86.09689	7.1
91.05489	7.4
98.98425	6.0
109.83814	5.7
126.19032	6.8
151.01617	9.0
260.81973	6.7
266.14096	6.4
304.38049	7.5
337.02396	48.6
350.62366	6.5
393.08609	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58151	13.9
53.74318	16.1
67.05489	38.6
69.03423	23.8
69.07067	18.7
70.06590	53.2
71.04974	100.0
72.08146	35.1
79.05505	34.9
81.07063	31.7
84.04501	81.6
85.02934	20.8
86.09721	29.4
88.03986	32.7
91.05495	31.3
93.07060	43.8
97.06491	33.3
110.06080	19.2
112.67095	20.5
113.04198	21.0
119.08674	22.3
120.04780	18.6
130.05003	31.0
130.89053	20.7
133.10083	23.6
135.11769	23.9
142.03264	21.4
145.10130	42.6
151.11179	27.2
163.11136	48.5
165.01799	34.8
173.88245	20.1
183.02899	54.9
199.13344	22.4
223.01677	22.8
281.24869	21.0
302.07635	29.8
303.12564	28.5
312.66125	20.2
320.15436	63.8
449.19809	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	15.7
61.54759	12.3
61.58251	12.6
66.89767	11.8
67.05518	32.6
69.91015	12.0
71.00461	11.7
71.04984	100.0
71.05331	12.7
73.71901	12.9
79.05491	31.9
81.07063	31.1
84.04508	87.7
85.06561	22.1
87.02737	16.3
88.04016	38.9
91.05518	20.9
91.71019	16.3
93.07039	31.1
97.06561	32.9
101.97311	14.0
107.08643	23.1
114.61227	15.1
119.08654	37.8
121.10184	43.6
122.02794	17.4
130.05052	20.2
133.10150	26.9
135.11705	33.5
145.10168	31.8
151.11191	25.3
163.11172	37.8
181.12259	50.2
190.35345	15.7
213.09512	24.1
215.11003	17.1
230.45964	17.8
303.12564	18.1
320.15509	43.6
442.96570	18.1
449.19785	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	100.0
74.32896	1.6
87.04457	17.5
105.05502	2.3
124.83893	1.6
128.07143	3.4
155.07016	14.0
173.08179	4.6
179.04376	1.8
191.09146	3.1
415.90451	1.6
449.36273	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97515	11.5
55.74444	13.4
57.03433	100.0
57.07059	71.0
63.25335	12.5
67.05498	29.4
68.23759	13.1
70.65068	13.5
71.08620	45.0
81.07071	35.3
82.59885	16.2
83.08620	15.9
89.89658	18.1
93.07072	14.4
95.08591	28.2
98.98455	74.8
104.57367	17.4
107.12459	17.9
107.68056	16.2
109.10154	19.6
128.70782	15.3
137.00006	67.3
155.01056	91.0
181.54956	16.4
211.03777	22.7
219.85619	18.4
233.42310	17.3
233.60233	15.5
305.74179	21.1
313.27444	67.4
449.26544	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08249	0.9
59.95864	1.0
67.05476	1.2
67.96282	0.9
76.32285	1.0
81.74599	1.1
99.69602	1.1
105.07284	1.2
108.75075	1.1
111.04221	3.1
115.49720	1.2
127.03674	3.3
134.58441	1.4
149.75609	1.1
157.99945	1.5
162.45718	1.1
171.06104	1.4
188.78307	1.2
337.16351	2.5
449.28708	100.0
450.29309	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.3
55.01861	9.3
57.03437	5.8
61.02909	5.0
69.03423	41.6
70.45520	3.8
71.04970	6.5
72.95308	3.5
73.02903	12.9
81.03401	35.7
85.02370	4.8
85.02894	100.0
87.00804	27.7
91.03938	4.0
91.71548	4.5
97.02879	43.9
97.51105	3.7
99.04449	20.1
101.47028	4.6
105.01863	51.8
109.02879	48.0
113.40385	4.6
117.01858	5.0
126.03176	5.4
127.03908	71.9
136.47664	5.1
139.40616	4.6
141.05467	6.3
145.04944	36.4
148.73283	4.8
159.02928	18.9
167.03310	25.4
185.04509	9.3
199.04762	4.2
231.05048	16.9
276.63937	4.7
299.47931	4.3
341.99857	4.3
463.72614	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74429	1.0
56.05033	1.9
65.03924	2.4
70.81394	1.3
75.56000	1.0
77.03911	2.3
78.04720	1.4
79.05482	15.8
81.07038	4.1
83.78065	1.3
84.04496	52.3
85.02892	1.9
91.05471	12.2
95.04951	6.8
97.06524	4.2
102.05542	24.6
104.05010	7.1
106.06562	6.5
108.08112	2.4
113.35866	1.3
116.04985	1.8
117.05761	5.0
118.06552	10.6
120.08064	2.1
124.07621	1.4
125.05980	7.7
130.04007	1.8
130.04993	45.4
134.05988	7.0
136.07559	13.2
138.09132	3.9
142.08630	14.1
146.06030	5.9
148.06044	25.2
162.05492	100.0
163.05840	1.4
164.07056	89.4
166.04999	3.8
178.04979	51.9
180.06514	29.5
182.08148	16.4
239.11787	1.7
257.09265	3.8
257.12964	3.3
267.11356	1.9
279.22278	1.5
285.12305	38.3
285.15326	2.7
291.09595	2.5
293.11206	1.8
303.13400	26.4
309.10779	21.2
311.12332	11.5
351.32077	1.6
432.17465	2.4
451.65958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24425	3.8
57.52925	3.6
57.73158	3.4
58.60689	2.8
67.05520	4.3
67.44547	3.5
76.31695	3.2
82.75702	3.5
84.04494	15.1
91.05481	23.2
92.04991	4.2
117.05758	7.9
118.06538	20.1
130.05026	8.3
134.06015	6.7
136.07587	24.3
140.07155	4.1
146.06067	7.1
148.06151	5.1
152.07068	8.5
162.05533	8.7
164.07050	70.6
166.08562	5.0
178.05032	13.3
182.23209	3.9
193.07527	4.3
257.09314	10.5
257.12814	11.9
285.12314	71.2
303.13403	100.0
309.10718	5.2
321.14508	8.7
329.49652	4.6
381.23239	4.4
432.17902	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.187
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42220	1.6
67.05513	2.4
69.03430	2.2
69.07058	2.2
69.35295	1.7
70.06591	3.5
74.04077	1.9
74.98756	1.8
81.07044	2.3
83.24764	1.7
83.97498	1.6
84.04502	4.2
86.09716	3.8
91.05503	5.4
97.61960	2.0
102.05584	2.8
118.06537	4.2
120.08144	2.1
130.04997	2.6
130.88348	2.0
134.06039	5.5
136.07619	5.4
152.07048	2.7
164.07071	16.5
178.04944	9.7
196.09988	2.0
212.10553	2.6
214.11049	5.4
229.13255	3.1
242.03334	2.2
242.10641	5.7
257.09262	14.0
257.12781	15.5
259.07291	5.8
285.12302	100.0
288.05826	2.4
303.13382	49.5
392.35764	2.2
432.17969	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08559	6.0
54.20518	6.8
63.10569	7.0
70.06586	10.1
72.08189	6.9
84.04493	12.5
85.02885	17.6
86.09682	21.8
91.05437	9.1
107.50620	8.3
108.28552	7.2
109.02885	8.4
120.08088	13.0
125.02344	10.2
136.07588	67.6
138.09087	9.0
151.00116	8.6
164.07060	100.0
181.32805	7.5
235.23878	9.4
311.12305	53.0
342.95087	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55259	2.2
53.03936	8.8
55.01860	6.9
57.03423	4.0
61.02907	7.1
66.93157	2.5
67.05487	6.3
69.03420	50.2
71.04991	5.0
71.39785	2.7
79.05486	9.4
81.03416	35.1
81.07042	9.6
83.79999	2.8
85.02901	100.0
85.45254	2.7
87.00821	36.7
89.66830	2.5
91.05477	9.7
91.71078	4.4
93.07033	16.2
95.08625	5.5
95.77990	2.8
97.02885	39.1
99.04440	18.7
105.01864	63.5
105.07024	8.2
107.08596	8.9
109.02884	43.9
109.10165	3.8
113.45590	3.2
121.10140	13.4
127.03905	77.9
127.04791	4.9
131.08549	5.3
133.10138	13.3
145.04985	22.0
149.09607	21.3
159.02884	14.4
167.10646	31.2
180.56837	3.1
193.83063	3.2
213.03934	7.1
231.05003	23.9
253.14389	5.1
317.20969	3.2
415.16193	5.3
462.91711	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31853	2.7
51.68816	2.9
53.03931	6.8
55.01856	8.0
55.05490	3.4
55.24638	3.2
61.02913	4.3
67.05494	6.1
68.99767	3.4
69.03419	40.6
71.04977	5.0
73.02881	4.2
79.05479	11.0
81.03396	27.2
81.07038	11.0
82.47069	2.9
82.47549	3.4
85.02893	100.0
86.09679	3.5
87.00817	30.8
91.05495	4.2
93.07049	14.6
94.73108	3.0
97.02882	34.8
99.04447	10.6
105.01859	51.7
105.07008	5.2
107.08590	10.6
109.02861	27.2
109.10143	3.6
112.61960	3.7
117.01862	4.2
119.33324	3.4
120.08128	4.0
121.10136	17.1
125.02417	3.5
127.03924	60.8
131.08574	5.4
134.17995	3.8
145.04974	13.0
149.09627	24.8
159.02881	9.1
167.10689	35.3
199.44275	3.4
231.05089	17.5
247.61832	4.2
313.46729	4.3
387.99551	4.4
397.14886	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	15.4
55.01873	4.7
57.03423	9.5
58.07175	3.8
62.99001	4.8
67.05490	14.2
69.03416	45.2
71.05010	4.6
72.08150	5.4
76.19437	4.3
76.51781	4.7
79.05481	20.5
81.03395	28.4
81.07046	20.3
84.04485	10.4
84.96012	4.9
85.02890	88.4
86.09699	17.0
87.00829	18.0
91.05467	18.4
93.07034	77.0
95.04983	9.7
95.08604	13.7
97.02888	37.5
99.04457	10.6
102.85460	5.0
105.01877	44.0
105.07037	16.0
107.08577	71.9
109.02876	43.0
120.08047	6.2
121.10134	100.0
123.11743	9.0
127.03913	43.3
131.08603	14.6
145.04958	19.9
149.09613	57.6
159.02994	5.4
167.10660	39.8
168.06454	4.9
213.04039	5.0
225.34686	6.0
231.05013	17.1
243.42152	4.9
244.93411	4.8
333.84924	5.5
397.14835	6.6
408.05365	5.6
415.15927	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.5
55.05518	9.1
57.07077	6.4
59.27996	4.7
60.04517	100.0
64.47829	5.5
66.57715	5.1
68.05040	10.2
69.03442	10.1
72.04524	16.9
76.75008	5.0
83.05009	7.6
84.04498	9.4
85.02926	5.7
88.04006	22.5
90.87785	5.3
95.01376	6.5
96.04492	62.9
97.02918	14.7
98.06094	6.7
105.07056	6.6
111.04504	9.5
112.03988	10.5
113.02377	6.2
114.05511	82.4
115.03970	8.0
124.04009	26.1
125.02364	11.1
126.05569	21.5
127.03899	40.0
132.06549	43.6
139.03947	35.7
142.04956	32.6
150.07709	9.0
156.06555	55.0
156.07501	5.5
157.04906	8.0
160.06107	10.1
166.05066	18.3
174.07709	18.2
178.07127	8.4
192.08685	15.4
202.07095	13.1
210.09683	12.5
210.60732	6.1
216.08682	36.3
220.08130	31.4
234.09738	34.3
252.10815	11.5
276.10916	15.0
462.97205	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.285
Annotation	Tongoline
Peak:m/z	Relative Intensity
53.47825	5.3
55.05497	20.6
65.28324	6.6
67.05501	11.1
69.02812	5.2
69.07048	14.3
70.67945	5.8
79.05456	6.0
81.07047	24.9
83.08633	14.9
84.04490	86.7
85.06501	5.6
91.05485	9.5
93.07043	17.3
95.08609	28.7
97.10166	10.3
102.05540	43.9
105.07018	33.5
107.08568	15.5
109.10175	11.3
112.31635	5.5
119.08572	25.6
121.10136	13.2
123.11736	8.2
130.04993	76.0
131.08536	22.3
133.10152	24.2
135.11697	8.6
143.08583	14.5
145.10135	33.7
147.11700	19.1
148.06030	100.0
155.08595	15.0
157.10136	9.1
159.11684	16.3
161.13248	17.8
169.10164	11.5
171.11691	9.8
173.09732	7.2
173.13318	22.5
175.14853	17.2
183.11696	17.1
187.14809	22.3
197.13211	13.5
199.14854	20.7
201.16441	8.1
215.14397	19.4
225.16382	10.0
229.15891	10.7
230.10219	15.8
239.18034	14.2
243.17456	14.9
243.21049	14.8
255.80794	8.4
267.21085	19.3
272.14941	22.5
285.22092	86.1
362.19406	7.8
432.27405	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	90.6
58.93196	24.2
66.53293	19.8
72.08140	58.4
72.76121	21.8
72.89259	23.0
75.12910	23.1
79.05502	22.2
83.32323	20.5
84.04484	72.8
84.64927	21.9
85.02890	29.9
86.09695	23.3
91.56572	22.9
91.71121	38.0
98.97604	60.6
102.05486	27.3
103.07574	21.9
114.83495	26.0
116.98666	29.3
120.08059	36.9
130.04997	42.2
133.17702	22.3
140.00194	53.4
162.05508	42.4
164.07072	74.5
165.07497	32.8
213.04337	33.0
234.65302	29.2
239.02176	25.5
242.03560	44.3
285.12433	84.7
286.12802	31.2
299.10236	31.6
303.13388	55.2
304.13882	35.0
365.05487	100.0
406.08008	96.7
407.06482	44.1
451.06375	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64241	7.0
51.81918	7.3
56.96550	35.4
59.93085	6.8
67.59193	7.0
72.80639	7.4
74.45588	8.3
74.96717	7.1
104.53580	8.5
112.54099	8.4
138.99408	7.6
150.42633	8.2
166.80150	9.3
226.30310	8.4
240.93126	10.5
317.17886	60.8
335.18820	13.0
358.20514	100.0
369.55997	9.8
391.21906	18.2
472.01364	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67023	8.5
56.96550	55.4
83.04974	10.8
84.04504	11.2
84.96040	18.1
92.16753	9.8
97.02891	12.8
97.85906	9.8
98.97574	72.2
110.97614	23.5
116.98653	44.5
128.98631	29.3
134.99649	17.6
140.00177	56.9
146.99693	21.0
152.00223	15.0
158.01288	29.6
170.01303	29.8
170.99699	18.4
181.02986	31.7
193.02864	24.0
197.92831	12.3
213.10152	10.9
219.01776	27.4
237.02870	48.8
242.03207	74.0
260.04309	52.8
283.05939	81.0
366.08664	100.0
384.09793	52.1
408.09744	31.4
452.08597	22.6
462.07391	13.6
477.13901	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.7
59.18707	9.6
61.24366	8.2
66.66954	8.8
67.05511	29.6
67.33289	9.0
69.03433	43.9
69.07072	14.4
71.05006	16.1
78.11385	9.0
81.03416	14.8
81.07069	54.2
83.08645	10.5
85.02882	100.0
87.00845	27.8
93.07063	16.5
95.08598	49.5
97.02916	48.2
99.04490	24.9
100.11243	97.0
105.01870	74.4
105.07125	10.3
107.08617	18.8
109.02884	19.6
109.10149	87.6
113.06094	13.6
116.26078	11.3
123.11745	44.1
124.87052	10.2
127.03915	79.8
133.10164	39.3
133.25160	10.8
145.04974	21.0
151.11166	93.9
159.02893	14.8
168.69464	9.8
169.12219	84.8
171.14619	11.0
187.13318	25.8
209.16605	17.5
231.04977	14.0
262.09738	11.4
294.06418	12.2
296.77148	12.6
316.03085	12.2
414.48291	12.8
452.35931	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.19
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
51.08832	3.5
54.35437	3.8
60.78556	4.3
67.62811	4.5
69.15392	4.1
73.44009	4.6
90.36723	4.3
100.15341	5.4
138.33167	5.2
279.07773	5.7
289.87491	5.1
304.11127	9.0
306.12738	6.7
322.11703	7.8
327.13690	15.7
333.13773	14.1
334.12000	8.0
351.14706	27.8
352.13193	10.5
353.11511	14.0
369.15637	26.9
375.14957	11.8
376.14084	7.5
393.16269	7.1
394.15411	27.4
411.17267	38.3
453.19034	100.0
454.19437	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27536	22.1
55.05500	36.9
57.07052	100.0
58.84502	27.8
59.31115	22.1
63.16810	23.7
66.65144	22.8
78.99162	20.5
85.02887	35.8
124.58799	25.8
173.09663	31.0
264.93835	28.3
453.34677	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.6
55.05505	6.8
56.98659	4.2
57.03445	4.8
67.05511	7.0
69.03418	22.0
77.36463	5.3
81.03415	9.0
81.07043	14.4
83.08623	6.8
85.02885	42.6
93.07044	14.9
95.08594	12.9
97.02894	16.8
97.43894	5.2
99.04491	7.2
100.11277	13.0
105.07015	15.3
109.02886	7.4
111.08081	55.2
119.08590	15.3
123.08130	8.6
133.10115	10.3
145.10106	10.3
145.95036	7.4
146.21852	5.8
151.07484	51.3
159.07986	7.8
164.66425	6.2
182.15405	12.3
189.12729	100.0
197.11797	8.8
200.54005	6.2
207.13753	51.8
210.14844	9.4
248.92233	7.0
256.77551	6.5
273.15747	7.2
273.18362	29.9
291.19568	12.6
369.19159	18.2
408.24878	6.9
453.24609	14.0
453.34561	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	22.7
85.02893	32.3
92.00606	24.1
92.33184	24.7
100.11249	54.5
111.08073	57.8
125.48454	21.4
129.84114	23.1
146.16472	23.3
151.07542	76.1
189.12788	100.0
234.64621	25.7
237.86272	26.0
273.18558	28.5
453.34610	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47932	7.5
55.05476	7.0
59.47392	7.4
67.05514	11.4
69.03408	25.8
75.03111	8.2
85.02884	30.9
90.10282	8.0
91.05466	11.3
93.07052	14.4
97.02863	22.3
100.11262	26.3
105.07039	11.1
109.06481	16.0
111.04456	12.5
111.08053	53.4
117.01873	9.7
119.08607	17.0
119.13142	9.8
123.08068	16.6
133.10143	9.4
145.10114	13.1
151.07553	42.7
159.08093	10.3
181.10558	8.9
182.15514	9.8
189.12749	100.0
194.09737	9.7
207.13765	29.5
238.84650	11.1
267.82718	10.9
273.18533	33.9
291.19476	14.1
369.18878	11.6
404.31760	10.2
453.34329	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04145	4.2
55.05495	18.5
56.75210	4.8
63.24212	4.1
71.58125	4.6
74.64650	4.6
81.57854	4.6
83.08617	16.5
89.91434	4.6
100.10638	8.1
100.11251	100.0
107.56433	4.3
110.37937	4.4
111.04467	5.8
128.07086	8.7
182.15439	31.6
187.49879	5.5
209.16513	23.3
210.14897	20.5
212.79840	5.0
226.19199	7.6
326.28174	7.9
435.32913	17.0
440.01572	6.9
453.34277	85.0
479.83429	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66396	2.8
55.05500	9.8
57.03444	3.8
57.07071	20.2
57.07288	3.6
57.21141	3.6
62.18451	2.9
67.05499	31.5
69.07076	7.8
71.08624	14.4
81.07064	9.5
83.08602	5.4
85.10168	5.1
86.45399	3.7
91.71638	6.1
93.07046	4.9
95.08602	100.0
100.11249	12.1
109.10164	7.4
153.48650	4.4
159.10069	9.3
209.16577	7.1
269.64828	4.8
372.14789	5.2
453.35400	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62561	9.3
55.05497	24.9
60.28253	9.9
60.29626	12.6
60.41334	9.3
67.05492	17.4
68.61047	9.8
68.75906	10.2
81.07040	20.9
83.08604	15.9
93.07031	17.1
95.08616	22.8
100.11233	17.3
118.70930	11.7
122.23530	13.2
124.45651	13.3
210.18489	100.0
226.18159	14.7
227.21133	18.1
383.50323	13.9
418.33099	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19144	5.4
54.51969	6.7
55.01862	13.0
55.05495	7.2
57.03426	8.2
63.05836	6.4
69.03410	26.6
69.07052	16.5
70.06580	11.2
70.30374	6.2
71.04970	9.3
79.05456	10.9
81.03416	36.5
83.08624	8.9
85.02879	66.7
86.09691	11.7
87.00813	19.5
93.07047	21.9
97.02886	32.6
99.04453	26.3
105.01862	20.3
107.08601	29.5
109.02864	25.8
109.06493	11.2
111.04468	12.5
125.09624	17.2
127.03904	48.2
127.08608	8.4
132.99385	7.8
135.08072	19.4
145.04950	10.3
146.20328	8.4
153.09059	42.7
159.02859	9.1
171.10150	100.0
213.03891	17.6
231.04849	9.8
289.30399	9.2
291.89578	8.2
301.89404	7.7
322.87387	8.6
326.86716	9.7
345.69016	8.6
383.13177	11.2
420.71771	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01855	9.5
56.17203	4.7
57.03415	13.2
66.24030	6.5
67.05489	7.9
69.03402	29.7
69.07050	16.2
70.06581	19.9
73.02905	8.5
75.04435	6.1
79.05486	11.4
81.03410	36.0
81.07037	8.0
83.08621	6.8
84.16215	5.8
85.02898	69.7
86.09681	15.5
87.00824	25.2
91.05460	8.9
93.07027	21.1
97.02884	33.9
99.04442	27.3
105.01859	23.4
107.08614	27.7
109.02894	33.9
111.04443	13.2
120.08048	7.9
125.09634	31.8
127.03931	42.2
135.08063	23.4
145.04965	13.1
153.09056	40.3
159.02829	7.7
171.10124	100.0
199.11926	7.9
357.40802	7.7
383.13205	11.1
395.86969	8.0
401.14084	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01856	6.9
55.05511	16.3
56.02614	5.5
60.90686	6.9
67.05504	10.9
68.09178	6.8
69.03411	37.9
69.07044	23.2
70.06619	6.5
71.04975	8.9
72.08150	7.6
79.71085	6.5
81.03401	28.3
82.06579	8.2
83.08611	17.7
84.04523	6.8
85.02888	100.0
87.00813	21.0
95.08620	13.6
97.02885	27.5
99.04465	12.1
100.11241	47.5
105.01868	33.7
105.06977	7.8
107.08658	6.7
109.02866	46.7
115.07649	8.9
120.72721	7.8
127.03914	57.4
135.11703	15.1
145.04916	18.2
148.76175	7.1
153.12759	49.6
171.13785	54.5
182.15390	11.5
189.14893	14.7
206.03040	9.1
210.14925	12.7
213.03870	14.0
231.05023	14.2
369.91748	8.7
461.23206	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.28781	11.1
57.03426	13.1
57.07055	30.9
62.06068	47.8
64.95914	12.7
65.71978	12.1
71.08612	27.8
75.37589	10.9
78.19451	18.6
81.06985	15.1
81.10811	12.5
83.08615	17.1
85.10160	17.6
87.23515	13.1
95.08622	21.4
95.17534	14.7
104.36783	11.6
108.49951	11.8
147.09464	13.5
184.07280	19.3
313.27322	100.0
374.94205	16.0
454.34158	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22444	4.0
51.84343	3.8
55.05496	9.4
57.03413	17.7
57.07064	39.9
59.20628	4.7
65.24635	4.8
67.05483	11.7
67.59937	4.7
69.07059	9.6
71.08610	36.0
73.56731	4.2
81.07047	16.8
83.08617	8.5
85.10166	16.2
86.09677	7.3
87.60539	4.5
95.08597	13.2
97.10165	5.6
100.11256	5.3
109.10137	4.7
282.27844	24.0
313.27313	100.0
453.85660	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63405	5.0
55.82214	5.9
66.57356	6.6
70.06586	27.2
72.08136	6.7
124.26640	7.1
271.04263	11.4
411.09119	32.1
455.07785	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00088	6.5
56.96328	9.3
56.96559	79.0
58.91135	7.1
59.42305	6.4
63.74599	6.1
70.06576	14.9
71.17181	7.1
74.09509	6.8
80.39016	6.6
84.96015	15.9
97.99176	10.7
98.97559	89.8
100.11263	32.6
101.11546	8.5
102.41685	7.8
110.97591	26.7
116.98605	50.8
121.91572	8.1
128.98616	28.5
134.99661	22.2
140.00185	66.2
146.99648	29.9
152.00201	28.9
158.01295	22.7
161.01283	15.2
162.99046	11.5
170.01306	23.4
181.02823	50.5
184.02844	26.0
193.02916	19.1
194.35611	8.9
200.02446	9.9
212.02327	16.6
219.01874	14.6
223.03810	9.8
227.17618	18.8
228.17815	14.8
237.02794	27.2
242.03256	63.5
260.04468	35.6
283.05975	58.0
287.04446	12.4
292.04935	16.5
310.05908	20.4
315.06442	22.7
395.06628	22.4
413.07498	18.9
415.68857	10.8
436.09180	100.0
455.08881	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27008	4.2
62.57317	5.0
112.89600	100.0
117.42278	5.2
125.38004	6.4
316.56979	6.7
369.47491	6.3
433.01599	8.5
455.11633	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07073	9.3
70.06596	6.9
71.05009	4.9
72.08134	5.3
81.62038	5.2
84.04530	5.6
86.09718	6.6
100.11253	6.9
129.30957	5.4
140.04626	5.7
176.20488	5.9
275.25790	6.4
287.21182	6.0
325.52634	5.9
369.15286	7.8
411.16431	28.0
445.16687	7.1
455.15125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	9.1
66.54608	9.1
69.03411	22.3
70.04071	8.7
70.06585	14.9
72.08112	9.2
72.57030	7.9
76.57453	8.3
81.03410	15.8
81.07041	16.2
85.02900	100.0
86.09699	10.9
89.02418	8.2
91.71629	9.8
92.48727	9.7
97.02894	14.3
105.01867	16.9
105.06997	17.0
109.02890	25.0
119.08548	15.1
123.11710	80.3
127.03948	31.6
128.45448	9.1
145.10138	15.6
147.11630	23.8
174.89450	10.5
189.12776	45.1
194.38197	11.9
207.13777	70.7
213.03860	12.4
225.14905	18.3
231.05003	14.4
252.49275	9.8
274.17343	11.3
289.30945	10.2
412.69363	12.9
431.13916	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	6.9
57.07062	11.4
63.03312	4.3
67.05502	11.0
73.77597	4.8
79.05473	9.0
81.07059	15.9
85.47888	5.3
91.05442	7.4
93.07041	12.9
95.08593	18.4
105.07009	13.4
106.62962	5.3
109.06497	8.0
112.89528	6.1
119.08511	8.1
120.04334	5.7
121.10133	15.7
123.08104	5.0
131.08517	8.6
139.97224	5.6
142.96489	4.9
147.11600	7.7
151.07524	7.7
153.05586	7.1
154.06261	12.0
182.05743	7.3
197.08073	100.0
243.15897	5.5
343.45059	6.9
344.00510	6.1
371.82281	6.0
454.91513	6.9
455.27948	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	5.6
55.95627	2.2
56.51505	2.2
58.16105	2.1
58.26907	2.1
60.04509	3.2
60.08153	21.6
67.05489	10.2
68.99819	2.1
69.07056	9.1
69.57207	2.2
69.60794	2.4
70.06582	79.9
71.04980	31.9
74.00938	2.2
74.02436	15.5
79.88393	2.3
81.07050	19.4
83.08635	3.8
86.09690	3.2
88.07628	7.7
93.07009	3.5
95.08585	10.7
97.10172	3.6
109.10159	4.8
112.07590	5.5
114.05518	3.2
116.07101	48.6
124.26929	2.5
129.25433	2.7
158.08125	10.8
396.30981	9.1
455.38388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33540	0.7
55.05501	5.9
57.05822	0.9
62.03079	0.8
62.52820	0.8
64.68559	0.8
72.08147	100.0
85.02927	3.1
86.09749	0.9
95.01322	11.6
105.64445	0.9
113.02379	1.1
118.08647	54.1
119.73412	0.9
129.01843	1.9
134.44711	0.8
141.01830	5.1
141.70293	0.9
145.48689	0.9
148.66704	1.0
156.34006	1.0
177.03938	13.3
278.28992	1.1
288.60672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11742	3.6
69.03414	23.8
70.06591	6.0
73.08237	5.2
75.56192	3.6
81.03391	9.6
85.02882	17.2
87.00786	5.7
87.04467	100.0
87.04959	3.4
91.70969	4.8
97.02892	11.6
105.05499	52.4
109.02863	7.2
109.78853	4.5
127.03918	6.8
127.05445	4.4
134.24973	4.3
139.50032	4.6
166.29755	4.2
173.08105	17.9
191.09131	32.8
193.85411	4.3
263.91003	4.3
411.31549	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80384	2.3
57.07068	26.9
58.06570	5.5
67.05492	3.7
67.99999	2.2
68.06599	3.0
69.07043	4.9
70.06579	28.3
71.08616	16.5
73.02898	3.9
81.07054	6.4
83.08588	3.6
88.07622	36.7
91.71680	4.5
95.08598	6.6
102.09155	21.4
114.26968	2.9
131.23923	2.7
131.56337	3.0
155.25417	2.8
177.16763	3.3
200.20079	74.4
218.21161	9.0
283.26248	73.5
341.34058	3.1
456.44107	100.0
457.35199	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1118
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
56.96524	4.8
57.03418	19.7
59.04991	4.8
61.73244	5.0
66.18809	4.8
68.89890	4.9
69.03414	28.0
70.06583	35.2
71.04977	15.1
72.08118	7.0
73.02909	5.4
76.41185	5.7
79.74775	4.8
81.03414	38.2
85.02894	5.2
86.09696	23.0
98.98459	26.2
99.04449	20.8
106.11230	4.7
110.07185	10.2
116.07042	4.7
117.05481	17.4
129.68434	4.6
145.07559	8.4
159.09311	6.8
162.10321	5.7
164.07191	5.8
165.39415	6.1
168.03360	4.9
172.08687	44.1
173.07027	7.3
190.63190	5.7
214.09808	9.0
216.07700	23.0
224.11716	5.8
243.08772	56.8
287.39639	6.0
296.16315	11.0
323.11160	6.5
341.12454	12.7
359.13452	48.2
396.09506	10.5
414.10175	6.7
439.10040	100.0
440.10175	6.9
457.11121	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43288	19.7
70.06559	22.9
83.07211	23.1
101.04181	24.9
106.59418	23.7
107.80634	27.0
114.69385	25.3
129.51749	30.4
132.14381	26.3
225.60356	32.9
244.77444	38.9
284.04376	33.1
413.17700	49.2
457.16840	100.0
471.84781	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.1
57.36557	5.8
67.73749	7.4
69.03404	8.0
70.06578	19.7
71.04961	8.2
74.52163	6.5
77.18133	7.4
79.05475	7.7
81.03398	10.4
81.07057	12.7
85.02881	16.3
85.06577	10.2
86.09715	24.4
88.46746	7.4
95.04990	15.7
95.08605	9.1
106.69696	8.5
107.08588	9.2
109.06509	100.0
109.10168	33.1
112.30063	9.0
118.74042	8.5
120.35675	8.3
123.08073	10.7
131.08592	15.7
133.10155	7.8
135.08011	40.1
139.46320	8.4
173.13298	15.9
191.14261	55.2
209.15419	28.4
418.62701	8.9
434.63000	11.1
457.20657	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	7.1
55.23001	6.3
64.21140	6.9
69.03416	16.0
70.06583	32.4
72.08150	12.4
72.19566	8.1
77.90263	7.5
81.03423	8.5
81.07035	15.6
84.08118	8.6
86.09686	19.2
89.61187	7.3
90.86958	7.5
91.71057	13.1
105.07008	20.3
121.10145	26.0
149.09610	100.0
191.14305	25.0
202.73308	9.8
209.15361	14.3
234.62085	8.9
262.81314	10.7
310.74936	10.0
417.86755	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85691	1.4
64.49541	1.5
64.80301	1.8
67.05473	1.6
69.03426	4.7
70.06573	3.6
71.04983	2.5
81.03400	3.7
84.04467	2.2
85.02888	11.3
86.09673	2.7
87.00783	2.4
91.05468	4.2
95.08594	17.5
97.02879	6.5
97.06525	5.3
105.01871	3.5
105.07015	5.9
107.08601	3.3
109.02906	4.9
120.08135	2.3
120.87416	1.9
121.10160	4.3
127.03928	5.3
129.13817	1.7
131.08559	5.5
133.10124	100.0
145.04951	2.8
145.10104	2.9
149.13242	2.2
158.10890	3.6
159.02837	2.1
163.14839	3.4
166.57480	1.8
173.13206	22.7
191.14316	12.4
209.15363	3.8
255.35854	2.5
281.06815	2.3
294.07938	2.4
342.74539	2.3
397.46436	2.4
408.28000	2.2
478.93579	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89553	10.3
57.07046	23.8
63.65693	11.6
64.47857	12.4
69.07051	12.2
69.25877	10.4
70.06591	18.6
72.01707	13.6
72.92715	10.9
75.64668	9.8
80.41208	11.2
88.07622	13.9
91.23915	12.9
105.07017	62.5
120.45915	11.9
124.39991	13.5
133.06470	37.5
135.08040	85.3
151.07574	14.2
165.03729	34.6
179.05272	18.0
189.80023	13.4
200.20103	17.6
275.88116	15.3
277.16318	20.3
280.87326	19.6
283.26346	19.0
284.26596	14.7
295.17206	100.0
456.44150	29.2
457.34866	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97878	3.9
53.70908	3.5
56.22626	5.2
57.07073	11.5
57.42496	3.3
63.54700	3.5
64.49683	4.5
67.05486	4.5
69.07071	11.9
79.05517	8.6
87.02698	6.7
91.05509	6.6
95.30487	4.4
103.05529	5.6
105.07025	70.5
106.07863	7.8
119.96633	5.1
133.06482	49.3
134.07254	28.5
135.08049	90.2
135.08939	6.7
139.33333	4.6
151.07590	18.1
165.03659	41.9
167.05302	8.2
174.21387	5.5
179.05338	10.9
219.00282	5.2
237.83426	5.8
277.16168	31.9
295.17249	100.0
464.19012	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	64.2
57.14736	12.3
60.07945	9.5
60.08157	100.0
70.06578	31.9
81.03404	16.5
86.09700	45.9
91.71648	26.3
92.63860	15.0
95.08651	16.8
101.75465	12.9
127.18982	14.8
128.45044	14.0
130.06482	14.4
216.03343	16.0
224.29123	16.0
298.08514	19.2
458.19473	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	3.5
61.02906	2.7
67.82662	1.9
69.03416	15.2
70.06570	9.5
72.08148	4.2
73.02913	2.8
74.91876	1.8
79.25365	2.0
81.03406	4.3
84.04490	8.9
85.02885	9.1
86.09698	6.8
87.04446	8.6
97.02871	5.0
109.02899	2.2
110.07174	4.5
116.07101	2.3
116.09350	2.2
117.55444	2.0
122.02748	4.1
131.15775	2.3
161.09476	3.2
162.10255	65.4
204.11357	3.1
251.06798	4.4
278.14981	3.2
296.16025	82.9
348.20792	2.4
390.43451	2.7
458.21249	100.0
473.86118	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16738	35.7
63.24443	33.2
67.05466	36.4
74.00878	33.6
95.76827	38.3
105.07031	65.6
145.10185	100.0
196.11272	42.1
206.82779	43.1
279.00540	45.6
348.66327	43.1
411.97330	51.6
471.73917	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81023	24.3
52.21322	20.5
57.07059	53.7
67.05513	29.2
67.61254	22.1
71.08618	82.3
76.07053	28.1
78.71958	27.2
83.72519	26.0
85.10165	62.2
88.95965	26.2
89.06019	92.5
93.07031	66.4
121.06477	100.0
121.34445	31.8
133.08611	72.9
133.55676	29.0
165.09196	54.6
168.29047	32.6
189.09619	31.4
199.30711	27.3
209.11763	50.1
315.18054	40.5
462.23145	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73067	12.1
56.96551	39.8
60.08148	19.4
63.64511	12.8
70.06573	68.3
72.08145	13.1
84.04490	32.0
85.02870	17.5
86.09677	44.3
87.04453	26.5
91.86893	13.1
99.41902	14.4
122.02709	24.9
128.58911	15.0
128.98593	16.6
156.04796	25.6
180.59598	16.5
184.04247	100.0
207.36913	16.2
242.03316	29.6
251.06990	39.7
283.06018	33.5
391.12708	43.7
414.14301	96.1
456.15652	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72803	41.6
62.34244	39.6
63.14429	42.3
69.73382	52.1
79.49400	42.3
95.08565	44.2
134.99345	62.6
253.40538	55.3
259.61780	59.5
294.12476	54.2
335.56882	51.6
392.17438	64.5
397.18073	99.5
415.18829	67.8
438.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99574	7.8
66.33657	3.4
70.06236	5.9
70.06585	65.7
72.08135	13.5
76.02198	10.4
84.04499	81.6
84.08136	7.7
86.08257	3.7
86.09708	10.8
86.99035	4.1
107.08640	5.1
116.54131	4.7
117.88470	4.6
122.02730	71.3
130.04996	31.3
139.08696	9.2
142.03262	9.5
181.06509	11.2
181.13348	36.1
188.03789	14.8
209.05986	7.5
209.12901	25.9
234.04333	9.0
237.05466	8.3
244.14481	7.5
251.06952	100.0
251.09395	6.9
285.30405	5.0
314.22244	7.5
373.29660	9.8
460.81458	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	2.4
58.99574	4.4
59.52755	1.9
65.55399	2.4
67.83615	2.2
70.06232	4.4
70.06581	50.4
72.08144	3.0
76.02209	18.1
84.04012	5.9
84.04492	90.0
84.08141	5.2
85.02911	7.1
86.09708	8.0
86.99056	4.4
88.03952	2.8
91.71655	5.3
97.02912	3.9
105.00099	8.5
122.02723	75.2
122.64700	3.1
130.05000	40.6
134.74744	2.7
139.08681	7.4
142.03226	17.3
161.25836	2.6
162.10162	4.1
163.10605	3.0
166.64406	2.8
167.90036	3.1
177.05449	7.8
181.13318	28.7
188.03813	10.4
194.41280	2.6
195.06400	3.6
209.12852	19.5
234.04308	10.8
251.06929	100.0
296.16125	7.8
297.16391	3.5
302.14127	3.3
415.59091	3.2
459.21576	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88596	7.5
59.50300	8.6
62.42663	7.9
69.07066	9.0
81.07085	15.3
85.02915	26.1
91.03841	8.9
95.08610	18.2
100.89291	9.2
110.02350	9.0
119.08609	70.0
125.42288	9.3
127.03986	11.3
133.10117	100.0
135.11746	23.9
175.14825	95.4
193.15968	15.1
210.57007	9.3
211.16995	12.4
291.20111	10.7
332.97272	10.4
415.18680	12.4
459.18295	26.8
459.31577	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91052	12.7
62.10011	11.9
72.39937	11.8
78.77502	12.6
135.85818	15.2
150.47466	14.2
164.75566	13.9
190.52057	15.2
257.94083	16.1
258.42181	15.4
360.93536	15.6
459.23230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2506
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
55.05505	23.9
56.06317	19.0
58.48174	20.6
59.33098	18.6
60.51895	20.2
63.77452	18.0
67.05491	55.7
76.18255	18.1
79.05479	26.0
81.07040	62.3
91.05480	69.4
91.71632	28.1
93.07023	59.9
95.08593	59.2
97.98027	22.3
98.98466	100.0
105.07027	73.6
107.08590	54.2
117.07054	26.3
119.08575	71.7
121.10190	28.9
122.67673	22.0
124.47353	21.6
129.05457	21.2
131.08592	45.9
133.10159	58.4
145.10149	37.3
150.90521	22.0
157.10149	23.3
189.16412	37.1
203.41525	24.8
224.67581	27.0
269.22717	51.9
287.23773	84.5
361.27075	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46967	4.2
60.04520	5.1
60.08148	18.6
64.33997	4.6
67.05487	7.8
69.07057	9.5
70.06230	10.2
70.06580	100.0
71.04974	23.0
71.99294	5.5
74.02414	12.8
76.01747	4.5
81.07027	7.2
88.07624	9.9
93.07047	6.0
102.54508	4.6
107.69127	5.7
112.07584	12.9
116.07084	42.6
118.71725	5.8
122.60307	5.1
158.08109	9.8
176.86568	5.2
254.88158	5.7
348.43814	8.0
419.32022	6.2
451.50784	6.1
459.34204	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69437	2.7
59.05417	2.3
69.03410	19.7
70.06575	12.4
72.08148	6.0
76.02243	3.5
81.03404	12.7
84.04494	11.4
84.42483	3.2
85.02895	18.6
86.09679	13.0
87.00834	7.1
89.03912	6.2
94.53815	3.0
97.02896	24.7
99.04435	7.8
103.76223	3.0
117.03391	14.4
122.02763	4.2
123.40387	3.0
127.03895	21.1
131.77502	3.8
139.08614	3.4
145.02858	30.1
145.04880	7.2
147.04337	4.4
149.06010	7.2
158.06017	6.3
162.10284	7.3
163.03967	4.4
177.05461	100.0
177.32861	3.2
186.05417	15.8
195.06535	51.2
220.69699	3.2
231.04993	6.5
239.33507	3.7
251.07054	4.7
252.07272	4.0
297.16266	7.8
298.16644	4.4
459.21634	7.5
460.21738	9.1
474.08777	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22028	2.0
53.03935	9.0
55.01862	8.9
57.03432	5.2
69.03419	28.8
70.06549	3.7
71.04190	2.4
71.04983	5.0
73.02918	5.7
79.05341	2.1
81.03421	22.4
85.02898	68.9
87.00828	18.9
89.03893	6.1
97.02901	30.0
99.04440	9.8
105.01855	24.5
109.02869	24.5
113.63509	2.8
117.01855	3.8
117.03374	13.4
127.03917	38.6
145.02867	19.6
145.04958	17.6
159.02914	14.0
177.05463	100.0
177.24971	2.6
186.05513	9.1
195.06477	19.7
213.03993	4.4
231.05054	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
53.04139	1.3
53.81718	1.5
54.56256	1.2
55.01868	9.3
57.03421	5.4
59.77717	1.3
60.17862	1.6
61.02908	4.7
61.08278	1.6
68.99785	2.6
69.03084	2.5
69.03426	27.0
70.06563	1.8
71.04980	4.7
73.02905	6.8
73.82854	1.5
81.03412	32.8
85.02897	77.6
86.09679	1.8
87.00816	20.3
89.03905	4.6
90.06567	1.4
91.03929	1.9
97.02887	36.0
99.04449	14.3
100.94752	1.6
105.01868	25.4
108.04474	2.3
109.02871	34.3
117.01846	5.8
117.03340	9.3
127.03911	54.3
129.01881	1.6
145.02826	26.6
145.04926	18.4
147.02995	1.9
149.03926	1.7
149.05972	6.8
159.02866	16.7
159.04007	2.2
177.05455	100.0
186.05444	10.6
195.06511	37.3
213.03923	3.8
219.37791	1.7
223.05736	1.7
231.04965	8.2
425.10605	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23772	0.7
72.08140	1.1
84.08134	3.0
86.09675	1.1
91.05492	1.0
93.07033	1.2
95.04925	1.2
100.31539	0.9
103.05459	7.0
107.04926	1.6
120.08099	100.0
120.84293	0.9
129.10197	1.0
131.04936	1.7
149.06076	1.0
152.80830	0.9
166.08633	38.4
268.38354	0.8
269.67398	0.9
321.56717	1.1
408.39063	1.2
460.84686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61792	0.7
55.05506	7.1
56.51056	0.7
57.05809	0.8
72.08144	100.0
73.08498	0.9
75.02402	0.8
75.41039	0.8
84.49053	0.8
84.90303	0.8
85.02888	1.7
86.99940	0.8
93.54917	0.9
118.08643	61.2
127.03919	1.4
145.04996	1.6
185.54170	0.9
215.84584	0.9
277.47946	1.0
357.10889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61627	6.3
66.08924	5.9
101.48892	7.7
114.44735	6.8
178.23225	7.9
188.14505	7.7
213.07399	26.2
331.10086	22.2
417.13202	15.6
461.12619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	28.1
63.45531	7.0
69.13383	6.3
73.11828	7.2
73.56982	7.1
84.04509	8.2
85.02895	13.7
91.71691	8.1
154.71019	8.5
161.30341	9.0
180.69098	8.7
203.31331	7.5
213.08032	22.2
231.09019	40.4
236.09564	41.3
254.10649	33.8
275.43884	9.1
277.12323	28.0
375.13138	21.3
417.14233	100.0
422.91788	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30241	17.5
61.72163	23.2
63.17298	18.4
64.24177	19.0
71.35320	18.1
78.53910	21.8
79.33695	21.5
89.59238	20.9
98.97611	28.9
122.06044	25.7
213.07964	64.3
231.09108	91.0
236.09628	61.5
241.07205	23.4
254.10715	100.0
266.01971	28.8
277.12222	75.4
296.11679	36.8
338.12723	53.0
380.59897	29.3
417.14276	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1623
Annotation	N-(2-phenylethyl)-Indomethacin amide
Peak:m/z	Relative Intensity
59.51925	1.8
60.91719	1.7
65.48150	1.6
70.23577	1.8
84.04504	3.1
105.07021	1.8
108.09035	2.2
127.03702	8.9
127.53960	2.5
143.01920	2.5
203.05330	2.6
213.07375	4.0
227.50961	2.1
274.63278	2.1
289.08905	30.8
302.80606	2.1
375.12524	17.2
461.16251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	8.0
58.02016	4.6
61.42643	4.9
61.74043	4.5
67.05516	12.0
76.02237	17.6
79.05505	21.3
81.07061	16.0
83.04985	5.9
84.04491	59.2
91.05473	35.4
93.06508	6.8
93.07080	17.0
105.00127	7.5
105.07012	54.2
107.08612	13.1
113.45798	7.1
119.08616	21.8
121.10140	14.3
122.02724	100.0
122.03542	7.2
129.07011	12.8
130.05020	24.8
131.08565	44.2
133.10191	19.8
135.11681	7.9
145.10170	11.6
147.11725	12.3
149.09671	8.7
157.10205	7.5
175.11133	29.3
188.03879	14.4
193.12276	8.9
234.04318	8.1
237.77267	6.8
251.06958	96.5
303.33691	6.9
352.57428	7.4
355.91846	7.6
461.19501	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45049	5.9
67.05476	15.4
69.03427	16.1
70.06581	13.9
72.08144	9.4
74.82277	6.2
76.02222	17.3
79.05479	15.8
81.03416	11.6
81.07062	22.3
83.04966	13.2
84.04490	62.5
85.02903	39.6
85.40605	6.7
86.09707	12.8
91.05475	39.4
91.41940	6.7
93.07043	22.1
94.06529	8.4
97.72228	7.1
97.74935	7.8
105.00078	10.3
105.07006	59.2
107.08568	11.1
109.02893	10.4
117.07018	15.7
119.08557	23.5
121.10158	11.6
122.02696	80.3
123.39521	8.3
127.03924	19.9
129.07030	8.5
130.05040	30.7
131.08565	57.3
132.08891	18.1
133.10135	25.7
142.03195	20.9
147.11687	11.9
165.84908	8.0
175.11214	24.9
177.09053	46.5
178.09491	31.8
179.44542	7.5
193.12138	9.7
234.04256	11.9
251.06895	100.0
251.08969	8.6
461.19513	14.1
474.62738	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.4
55.05500	8.9
60.38001	2.6
67.05494	4.0
69.03415	9.2
69.07056	24.3
71.04975	2.9
78.39566	2.6
79.05476	7.3
81.03410	2.8
81.07049	12.9
83.08603	8.4
85.02888	13.4
87.00808	4.4
93.07040	13.5
94.87360	3.5
95.08593	30.2
97.02885	4.0
97.10186	7.3
99.08091	26.5
105.01871	5.8
105.07019	7.9
107.08588	39.6
109.10146	10.9
111.08084	10.2
111.43132	3.8
113.09574	3.5
121.10143	61.1
125.09642	5.5
135.11690	6.2
137.13274	6.4
159.27988	3.0
176.57803	3.0
177.16374	100.0
195.17427	21.7
205.00961	3.2
213.18474	45.1
280.75681	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3621
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
52.85693	29.3
55.53890	25.9
57.07068	43.7
69.07056	41.7
71.08608	39.1
81.07053	100.0
83.01325	33.0
95.08601	84.0
97.10173	52.0
116.80609	36.1
148.88432	33.2
151.07552	48.2
197.02332	35.5
315.75940	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02927	75.6
69.47519	60.1
70.90871	73.7
71.08597	90.5
72.30640	74.4
72.59675	78.4
73.41511	71.4
81.07030	100.0
95.08663	80.1
151.07562	85.9
324.56583	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60925	1.1
50.93068	1.3
54.23212	1.4
56.90349	1.2
56.96563	1.5
65.57396	1.4
71.83710	1.3
85.02896	2.9
86.09744	1.5
91.05476	6.1
119.04935	18.1
145.47838	1.5
147.04398	100.0
163.06947	1.7
220.91847	1.6
236.62752	1.8
261.21930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.7
59.56939	4.7
63.45147	4.8
69.07057	6.6
70.06577	16.2
72.08143	5.3
76.02225	7.3
80.14537	5.6
81.11174	5.6
84.04511	35.1
85.02911	5.8
85.68664	5.1
86.09698	8.1
94.63332	4.8
102.05537	9.4
108.04468	13.3
120.08088	9.2
130.04994	14.4
136.07576	7.0
146.06059	8.3
148.07600	7.2
150.05508	8.9
156.45328	6.0
162.38042	5.9
193.66969	5.6
213.10130	7.7
227.08043	7.0
227.11781	17.1
243.11331	7.6
255.11295	35.6
257.70834	7.6
269.12848	9.8
297.12292	20.5
315.13513	35.9
426.53128	6.5
444.17737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48051	12.0
58.99567	16.8
67.05473	11.3
69.07053	100.0
70.06582	22.4
76.02219	93.1
76.82098	12.5
84.04487	61.0
86.09703	25.9
91.71616	28.9
110.09691	13.2
120.08080	15.7
130.05011	32.9
137.09662	17.1
138.09149	34.5
162.02235	32.1
179.04895	57.0
197.22047	16.7
302.61713	16.8
308.09177	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25274	3.0
65.66259	2.9
84.04500	41.7
85.27795	3.4
91.71037	4.0
95.61663	3.5
98.45561	3.6
102.05536	6.4
118.06533	11.3
122.06908	3.3
130.05006	12.8
130.06529	4.8
132.08113	6.7
144.08081	10.3
146.06009	60.1
159.09123	17.3
170.05981	4.1
175.06961	3.2
188.07050	100.0
195.07549	4.1
205.09723	23.6
225.10289	16.0
271.10840	4.6
305.83853	4.2
325.09335	3.5
334.13937	18.7
338.52249	3.7
339.83707	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89366	1.4
56.96556	24.4
57.24232	1.6
57.33249	1.6
57.69303	1.4
73.10918	1.5
75.78148	1.6
96.52913	1.6
201.82584	1.7
221.08664	2.1
239.09627	2.7
251.09500	34.5
252.80952	1.9
262.11182	3.1
269.10611	20.7
274.11111	9.4
292.12155	100.0
293.12500	3.8
315.13782	2.5
355.04465	2.6
463.23886	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42149	9.7
53.44228	9.5
55.05514	29.9
57.07063	34.5
69.07043	39.4
71.08620	17.4
74.94823	10.5
80.09991	13.1
81.07042	35.8
83.08600	40.0
85.10157	18.2
89.31080	10.4
91.05498	11.2
91.70962	22.2
93.07035	20.6
95.08592	22.9
97.10169	19.5
105.07046	14.3
107.08569	13.8
109.06581	13.1
109.10155	15.0
121.10152	16.0
125.11684	16.1
137.05977	26.5
139.07530	47.4
141.79002	14.3
151.07607	15.5
165.05475	21.1
167.07085	21.1
167.41656	14.1
177.09076	100.0
193.08743	15.2
225.11223	14.4
273.54446	13.2
322.13318	13.1
399.35828	18.9
427.35458	18.6
445.36685	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91783	8.5
55.05496	31.5
57.07057	38.1
58.76088	8.0
64.35760	8.2
67.05499	17.0
69.07068	67.0
71.08630	25.6
80.77445	9.4
81.07053	16.0
83.08595	38.7
85.10171	15.5
93.07052	17.5
95.04968	10.9
95.08613	15.3
97.10164	14.6
107.08574	23.2
109.06555	13.1
111.11707	17.2
117.08771	9.7
121.10168	12.7
129.60628	10.2
131.08607	15.2
137.05995	40.1
137.70995	10.8
139.07518	58.1
149.09624	14.6
151.07524	15.4
162.93309	13.1
162.94684	12.3
165.09166	11.3
166.14485	10.3
167.07085	16.9
175.54958	10.8
177.09071	100.0
181.08528	16.6
193.12283	11.8
193.37865	11.5
249.70937	13.2
259.63110	11.4
271.91351	10.8
277.89630	10.6
356.04797	11.5
394.36151	11.3
445.36890	32.5
479.04471	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.378
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12632	35.1
55.05499	44.7
61.94065	37.7
67.05471	40.7
69.07070	57.9
71.08619	76.8
84.77946	44.4
139.07507	100.0
206.72195	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	16.0
57.07072	41.4
65.64102	3.9
67.05505	9.3
69.07046	28.4
71.08624	36.5
80.34054	4.4
81.07046	22.1
83.08593	13.2
85.10166	20.8
95.04945	4.4
95.08599	17.2
97.10139	8.4
99.04412	5.1
104.06361	4.2
105.07014	11.0
107.08589	5.3
109.06516	12.8
109.10185	7.0
118.35478	4.7
123.08056	14.3
125.05994	17.3
127.07561	41.4
139.07535	100.0
151.07526	6.6
165.09138	5.5
173.82994	4.8
177.09102	11.0
187.74931	4.5
212.28174	4.9
319.30148	6.8
347.32947	8.6
417.37308	11.3
445.36954	32.9
462.25870	4.6
463.37659	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.8
55.01865	10.0
57.03438	9.5
60.04523	3.9
61.02954	4.9
66.63385	3.2
66.78891	3.3
67.23312	3.2
68.99815	3.7
69.03429	41.2
69.82374	3.5
71.04971	6.0
72.04932	3.4
73.02931	6.7
79.07368	3.8
81.03418	39.7
81.03796	3.4
84.34734	3.5
85.02901	100.0
87.00838	23.2
91.71033	5.0
95.04987	7.9
97.02882	45.5
99.04501	15.7
105.01862	44.9
105.02470	3.7
108.04502	11.2
109.02876	40.4
117.01909	6.0
118.30649	3.5
126.05559	5.9
127.03919	68.1
127.04758	4.2
129.01910	6.4
140.04689	21.9
145.04967	25.7
150.74052	4.1
155.07127	10.3
159.02953	16.1
181.04897	18.7
199.06044	22.2
231.05075	14.8
259.44791	4.7
329.08325	4.5
356.94971	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2062
Annotation	4-hydroxy Nonenal Glutathione
Peak:m/z	Relative Intensity
55.01862	4.3
55.05497	8.1
57.03417	4.9
58.99570	13.6
60.64425	3.0
67.05498	6.5
69.07036	4.7
70.06580	5.2
71.04984	3.5
71.08629	5.3
76.02221	100.0
76.03992	5.8
79.05495	6.0
81.03376	3.5
81.07035	4.6
82.14556	2.7
83.04974	30.4
83.06079	3.6
84.04500	31.1
85.02898	7.6
85.04019	4.4
86.09698	2.8
86.99030	3.6
91.05455	4.8
93.07039	11.1
95.04964	3.5
95.08615	6.3
97.06518	3.8
116.01669	25.5
125.02344	10.8
127.03880	3.9
130.05000	19.2
131.04503	4.7
135.08061	13.3
137.09624	5.3
139.11180	76.0
142.03230	9.2
144.01184	10.1
148.65205	3.1
155.10634	4.2
162.02191	37.6
177.03296	12.7
179.04855	69.8
181.08687	4.2
185.03836	3.7
196.11589	3.4
199.09648	16.1
214.12579	4.1
233.05905	14.1
264.33875	3.2
269.98343	3.5
308.09125	40.9
371.71310	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01867	2.4
58.32316	1.4
58.32671	1.3
61.02911	2.1
67.14590	1.5
69.03419	9.5
69.84629	1.5
71.04975	2.7
79.05473	2.8
80.98954	1.7
81.03411	6.1
81.07051	2.6
85.02898	17.0
87.00820	5.3
90.18597	1.5
91.05465	3.4
93.07044	12.4
94.27731	1.8
95.04973	3.4
95.08575	1.8
97.02878	7.5
97.06506	1.6
99.04452	4.8
105.01876	10.3
105.07024	13.8
106.98889	1.7
107.08578	9.0
109.02852	7.8
119.08569	4.3
121.10136	100.0
123.08059	3.9
127.03952	9.7
129.01886	1.8
133.07664	1.9
135.11714	10.4
143.03741	1.7
145.04991	3.2
145.10136	2.8
159.11662	2.0
163.11208	5.2
181.10635	2.7
181.12224	34.9
242.39674	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.3
55.01845	9.8
57.03426	7.3
57.95319	6.3
60.50834	5.8
61.88326	6.2
67.05490	20.7
68.38676	6.6
69.03422	47.2
71.04967	8.1
78.46996	5.9
79.05485	19.7
81.03408	28.8
81.07037	38.8
84.04494	8.4
85.02889	100.0
85.06559	7.4
87.00820	28.1
91.05463	13.2
93.07039	32.4
95.04986	8.6
97.02883	35.7
99.04469	11.6
104.33128	6.5
105.01861	52.3
107.04888	8.2
107.08572	15.1
109.02898	22.8
119.08588	14.1
121.10168	43.7
127.03909	46.6
133.53059	7.6
135.11716	15.9
138.05492	9.7
140.64020	7.7
145.04849	16.7
145.10107	27.1
163.11177	28.1
174.01752	7.5
176.69891	8.3
181.12267	31.2
204.99329	7.7
231.05025	15.8
248.90813	8.1
458.28638	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08136	18.6
61.39658	5.1
64.86198	4.9
71.07341	5.9
84.04494	7.5
86.09692	50.8
104.10725	100.0
125.00015	24.4
126.05515	11.2
138.05508	6.1
182.54488	5.3
184.07349	65.4
186.07417	5.6
204.08653	6.6
290.45560	6.4
406.67377	7.1
464.24030	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.8
60.07904	0.8
60.08157	10.4
60.65185	0.7
67.05473	1.6
68.08701	0.6
71.07341	3.2
74.57621	0.6
86.09695	44.7
98.98436	3.4
104.10736	5.0
106.39791	0.7
110.39044	0.7
124.99997	23.1
127.07723	0.8
166.02667	0.7
184.07327	100.0
190.10362	0.8
405.23584	0.7
464.24002	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0816
Annotation	11-O-Demethylpradinone I
Peak:m/z	Relative Intensity
57.75666	7.3
61.17035	8.1
65.40005	8.4
70.06583	17.7
75.05045	8.6
81.07035	15.5
84.04486	13.6
86.09673	14.3
91.70996	12.6
107.84531	8.3
119.93027	9.2
120.08131	15.0
121.02888	11.8
132.70715	9.2
175.03867	13.7
187.03868	11.7
199.03889	17.7
218.77171	12.0
243.02919	17.7
362.87421	10.5
377.06631	25.7
405.06073	16.8
447.00861	16.6
447.07013	100.0
465.08395	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	5,7,3',4',5'-Pentahydroxyflavone 8-C-glucopyranoside
Peak:m/z	Relative Intensity
53.17218	1.9
54.72037	2.0
61.59349	2.0
75.65176	2.3
84.04485	9.3
85.02916	2.4
85.04845	2.5
85.70830	2.3
96.08105	2.3
101.06683	2.4
102.05534	3.2
114.52647	2.3
118.06490	2.3
124.42330	2.2
130.04982	4.0
131.02011	2.7
146.06041	7.0
146.33260	2.4
147.06377	2.8
177.05417	3.7
188.07083	9.8
189.07390	6.5
191.63765	2.4
206.10065	4.6
225.10129	2.6
227.05258	3.8
237.69832	2.3
271.04208	5.0
366.53912	2.7
379.09705	2.9
397.31564	2.4
421.11087	25.4
465.10007	100.0
466.10730	3.5
482.45117	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	11.7
55.01852	16.3
57.36764	8.6
60.19935	9.1
67.05496	23.5
69.03407	31.6
70.06579	12.3
73.02863	15.7
81.03416	60.9
81.07047	17.7
85.02901	100.0
87.00816	15.0
94.74525	9.7
96.04506	15.0
97.02888	51.8
105.01883	28.2
109.02872	45.0
109.10141	55.1
111.79830	12.0
118.06491	10.8
125.06042	16.5
127.03902	66.9
131.08678	11.6
135.15569	11.9
137.09604	82.7
145.05008	21.2
155.10667	37.3
159.02887	27.7
164.50818	12.7
165.09085	80.6
183.10173	49.1
201.11147	88.2
209.17393	12.4
213.03865	14.8
272.37405	13.0
398.22513	12.8
480.88821	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72909	4.4
53.03951	4.5
53.71799	3.3
54.88785	3.6
55.01867	11.8
57.03440	5.1
60.04521	4.1
65.97250	4.3
67.05504	17.9
68.99789	5.2
69.03415	23.7
71.04978	9.9
79.63745	3.8
81.03410	34.9
81.07062	8.5
85.02898	64.3
85.03365	4.7
87.00835	15.7
89.53600	4.5
89.72440	4.6
95.08663	7.1
96.04542	4.2
97.02888	38.3
99.04459	18.0
105.01891	16.1
106.84859	4.0
109.02847	32.2
109.10157	58.1
116.79128	5.3
122.06164	4.5
127.03899	48.9
129.01906	4.9
131.19025	4.5
137.09612	75.0
145.05020	16.4
155.10666	25.6
159.02928	13.0
165.09084	50.6
183.10165	32.7
201.11194	100.0
213.03928	8.3
243.62753	5.1
426.23434	6.9
473.91269	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01864	10.2
57.03424	6.3
61.02915	4.4
67.05484	10.0
67.43563	3.6
69.03423	44.6
69.07035	4.7
70.22835	3.3
71.04978	27.6
73.02907	9.3
79.05428	4.1
81.03415	39.3
81.04509	3.5
81.07052	48.0
85.02897	100.0
85.03373	8.0
85.06530	40.3
87.00815	20.6
91.05485	11.2
93.07034	6.1
95.08566	10.4
97.02884	32.0
97.06531	7.9
99.04448	15.4
99.08080	14.4
102.71022	4.6
105.01876	37.7
105.07017	15.5
107.08586	4.6
109.02876	33.7
119.08576	13.4
121.10136	11.3
121.48009	4.0
123.11698	11.4
127.03919	60.6
137.13280	6.1
145.04967	16.7
147.11703	30.3
159.02940	14.3
165.12747	35.6
173.73459	4.3
183.13791	77.9
201.14839	50.5
231.05045	15.1
301.70468	4.4
371.16977	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	12.8
57.03415	13.6
60.04517	100.0
60.57329	10.5
67.05475	21.2
68.05034	19.5
69.03396	13.5
70.06570	10.6
72.04506	36.3
77.98695	10.3
81.07040	32.3
84.04518	21.7
85.02854	18.9
89.97330	12.0
91.05508	14.3
91.71670	14.0
96.04494	69.0
97.02885	42.9
98.06058	16.4
102.52704	13.3
109.02920	17.3
109.10178	30.6
112.03939	29.9
113.02314	17.5
113.99671	12.6
114.05547	85.6
119.08531	12.4
124.03975	25.5
125.02374	26.8
127.03902	20.2
132.06589	37.8
137.09622	70.2
142.04947	66.8
147.11626	18.6
150.07632	18.0
160.06052	32.4
165.09123	48.4
174.07675	21.3
178.07092	32.0
184.06006	18.3
196.08241	30.2
202.07086	75.9
220.08157	96.8
238.09233	31.5
299.17560	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89500	6.0
63.15735	5.8
65.03934	10.8
70.06583	34.1
80.92268	6.3
85.00119	6.6
88.07137	7.0
88.07600	38.2
99.13221	6.9
101.04745	8.2
102.09181	21.0
103.17218	7.2
113.69603	7.3
121.41013	6.1
127.79446	7.1
129.77959	6.8
149.02354	84.5
175.90833	8.6
193.04965	75.4
237.07570	93.3
256.26331	67.7
466.31635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1162
Annotation	BENFOTIAMINE
Peak:m/z	Relative Intensity
50.70560	2.0
55.37199	2.0
78.54791	2.3
91.05463	5.6
119.04935	12.6
121.74421	2.8
147.04402	44.3
158.20412	2.6
159.02632	15.7
202.59863	3.0
211.23857	3.2
212.53917	2.6
305.06375	8.5
349.09030	3.3
378.97504	3.1
436.67789	3.5
467.11551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	24.2
60.73759	16.7
72.46672	20.4
85.02913	46.6
112.49917	21.3
126.83144	25.6
145.10107	26.6
159.11732	30.9
163.79514	25.2
182.56206	21.7
201.16409	100.0
255.34680	27.1
344.44632	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	17.0
57.03425	10.2
57.07064	51.0
67.04489	7.7
67.05488	34.7
67.05820	8.3
69.07048	18.0
71.08610	35.7
79.60480	7.9
81.07047	33.0
83.08598	21.2
83.44603	8.3
85.10158	21.6
86.10305	7.4
87.15053	8.8
91.71053	20.9
95.08592	26.2
98.98460	52.5
109.10159	21.2
154.99980	10.4
155.01051	57.9
205.87347	10.9
313.27362	100.0
356.45673	9.2
369.44830	11.4
437.23364	10.8
449.26639	18.1
467.27744	13.3
467.37787	10.1
484.20306	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81894	5.7
55.01843	6.5
55.05495	15.6
57.03429	5.9
57.07064	22.6
67.05502	100.0
69.07060	12.1
71.08616	22.3
72.01109	7.4
73.48541	7.0
81.07055	23.6
82.39745	7.1
83.08633	15.8
85.06514	7.0
85.10197	13.6
88.81017	7.9
90.00583	7.1
91.05489	7.3
91.58693	7.2
91.71057	9.8
93.07054	8.4
95.08602	30.5
99.33266	7.6
109.10156	70.7
121.68707	8.2
173.11746	19.4
174.61035	10.5
182.71339	9.5
288.67453	8.9
467.37244	48.1
490.94913	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29293	5.6
53.89476	4.6
55.05509	9.9
57.07061	41.2
58.60568	4.8
67.05493	100.0
67.05827	6.3
71.08638	20.1
79.05515	6.8
81.07059	23.4
83.08631	18.7
85.10206	7.8
89.06063	6.0
91.05511	9.8
95.08639	24.2
97.10213	7.0
109.10139	69.3
120.22025	5.8
120.80921	6.3
134.04903	6.1
151.95157	6.9
173.11745	12.3
199.67918	7.2
273.56921	7.4
457.53592	6.4
467.37164	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28941	4.4
55.09741	4.6
65.31514	5.9
66.34939	6.3
81.03407	19.4
90.19652	5.3
99.04449	6.8
145.75804	5.8
147.07880	6.7
147.09163	11.6
159.09171	6.4
161.09492	18.0
162.10237	99.7
174.10245	31.5
175.11070	11.5
186.10324	20.0
198.10298	8.0
204.11305	29.8
214.13339	8.5
214.28946	6.5
227.21460	6.6
234.12447	6.4
242.12866	15.0
249.64847	6.9
260.13925	24.2
278.14743	6.7
320.15976	45.2
333.33920	8.5
338.16861	10.8
380.18182	23.8
424.17105	21.4
427.96283	6.6
468.16104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.1
55.44474	1.2
57.03415	4.9
62.17337	1.2
69.03411	13.0
71.01326	5.1
71.04974	4.3
77.28754	1.6
81.03410	22.0
83.61709	1.3
87.00813	2.2
91.71608	2.0
99.04438	18.4
109.22799	1.5
141.83905	1.6
146.07159	2.1
147.07904	6.2
147.09169	5.8
159.06538	3.7
161.09471	15.2
162.10251	100.0
174.10231	5.5
186.10283	8.1
188.11852	5.1
198.10199	11.2
199.11038	2.2
200.11813	4.4
204.11287	5.0
214.13487	5.0
224.11821	9.0
242.12878	6.8
260.13916	4.1
278.14929	3.5
302.14893	4.3
320.16092	8.5
320.19553	1.8
338.17059	9.4
362.17151	5.7
380.18069	24.0
406.16019	3.3
424.17145	29.1
468.16089	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74936	5.6
66.13316	5.7
69.03432	25.7
81.03398	33.1
97.73249	5.7
98.65816	5.6
99.04476	18.8
105.01919	6.1
107.08579	5.9
109.27453	5.9
112.48585	6.1
129.05522	7.2
147.09216	10.6
161.09549	24.8
162.10268	100.0
174.10272	16.4
176.42361	8.0
185.11870	7.9
186.10271	16.5
198.10271	13.1
200.11859	7.6
203.12849	11.3
204.11398	17.0
230.12968	7.3
242.13036	10.5
260.14191	11.2
320.15991	19.8
362.16861	9.4
380.18146	31.7
406.15765	9.1
422.47580	9.1
424.17197	26.4
468.16074	89.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24422	1.4
57.07077	4.9
59.04998	1.9
60.04530	1.4
61.21090	1.4
67.05510	6.0
69.03428	4.6
69.07079	5.0
70.02942	3.1
70.06609	3.5
72.04515	9.3
72.08174	5.3
73.02948	2.1
81.03425	2.9
83.04989	2.6
84.04496	2.4
85.02927	4.6
85.06567	7.1
85.32366	1.8
86.09713	2.1
90.04976	4.1
90.05549	86.3
95.05002	4.7
96.08134	2.0
97.02928	6.0
98.02453	6.8
99.04459	2.3
100.04005	2.2
103.07607	4.2
108.49267	1.7
112.08788	1.8
113.06027	2.0
116.03455	12.0
124.07575	14.4
124.08263	1.4
127.03913	3.4
142.08678	6.8
160.09837	2.3
184.09692	14.0
202.10728	22.5
212.14261	1.8
220.04364	1.9
220.11786	100.0
258.00693	3.1
330.33817	1.9
438.92853	2.2
469.09476	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	3.6
61.91876	3.1
69.07053	3.6
70.04293	2.6
71.45794	2.7
71.79755	3.3
72.04491	7.8
80.83738	3.3
82.91783	3.1
84.45218	2.8
85.02875	3.0
85.06532	4.1
90.05547	71.5
95.04947	5.4
98.02471	3.6
98.29464	4.0
103.07599	3.9
116.03449	11.5
124.07592	10.6
130.31125	3.1
142.08649	5.9
184.09734	12.6
202.10841	20.1
220.11792	100.0
281.93784	3.9
362.33759	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12965	0.6
70.24062	0.5
73.30952	0.6
81.03345	0.6
85.02866	0.6
87.96412	0.6
91.05449	3.0
93.07032	5.1
95.04975	1.9
103.05458	3.0
121.06499	100.0
122.06797	0.8
138.09135	27.3
183.41666	0.6
258.91995	0.7
280.55173	0.6
316.08844	0.6
358.27625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69861	7.2
55.01853	13.3
55.05506	9.9
63.90467	7.3
69.03416	32.2
69.07058	55.5
81.03398	29.1
85.02901	73.7
87.00822	25.6
97.02898	48.9
99.04449	13.8
105.01849	21.5
109.02888	29.0
111.11716	20.5
127.03919	61.4
139.11189	45.2
143.73799	8.1
145.04977	21.0
157.12239	51.1
159.02921	18.3
198.16872	8.7
203.12776	100.0
213.03891	10.3
238.86061	8.4
275.92548	9.8
468.73166	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01479	9.9
67.56469	11.1
69.03408	43.2
69.07045	18.8
80.77931	10.5
81.03389	27.0
81.07019	12.5
83.08589	17.7
85.02884	100.0
92.29956	11.4
94.02105	14.1
97.02892	29.9
105.01878	28.5
109.02870	28.9
115.02304	12.1
127.03918	59.1
143.44707	12.9
149.13303	19.1
167.14317	32.5
185.15402	45.5
274.29791	14.5
287.74228	14.1
395.48956	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08140	27.8
73.93759	11.4
86.09695	66.9
96.69050	10.4
104.10734	100.0
120.50020	12.6
125.00009	29.7
160.69763	14.7
184.07330	72.7
184.62570	13.3
299.10638	15.4
425.04694	13.6
468.30902	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43131	1.5
57.07064	20.4
71.08624	11.4
76.09753	2.2
81.88000	2.4
85.10176	3.9
87.04442	2.1
89.06021	100.0
110.17097	2.0
125.14241	1.8
130.08632	22.2
133.08595	50.2
133.09535	3.9
166.97029	2.5
175.63344	2.1
177.11209	17.6
206.88831	2.2
239.14899	2.6
283.17468	65.9
284.17853	2.4
473.52362	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18267	10.3
55.33525	11.3
57.07075	34.7
61.63947	13.0
67.42777	10.7
71.08624	31.6
77.32419	11.0
80.14670	12.3
81.60882	13.0
83.66436	12.7
85.10203	14.7
88.57141	13.9
89.06033	100.0
129.67575	14.6
130.08644	33.4
133.08636	62.4
135.38533	13.4
177.11292	20.0
232.47449	18.0
283.17551	66.4
348.10757	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.095
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04890	4.2
61.15113	4.2
73.13903	4.8
78.39284	4.1
165.09886	6.1
190.54816	6.0
221.04222	8.1
223.84384	5.7
226.97282	5.7
227.05251	15.8
251.30966	5.5
271.04236	11.3
272.49310	5.7
319.68341	5.4
336.73425	5.2
336.89127	6.1
337.12848	6.7
341.78891	5.1
376.57419	6.2
384.95886	6.0
425.10468	19.5
442.54288	5.4
469.09427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2046
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
69.95053	2.8
92.03972	3.9
93.07044	3.1
101.26082	3.1
105.07069	4.0
120.22651	3.5
136.74326	3.1
153.03740	3.2
178.47086	3.7
258.79755	3.6
323.86829	3.8
331.03448	4.0
425.17346	4.6
469.20569	100.0
470.20731	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2045
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
51.18303	2.4
57.69953	2.3
63.30369	1.9
100.11299	2.4
103.26863	2.6
122.80771	2.5
153.65524	3.0
244.11787	3.2
264.74124	3.1
331.42242	2.9
399.72925	3.4
425.18057	6.5
428.64252	3.3
451.18182	3.0
469.20734	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59311	0.8
58.99567	1.2
59.01151	0.7
59.22542	0.7
61.51874	0.7
67.05526	1.3
71.54173	0.8
76.02210	3.3
84.04498	17.4
86.99052	1.3
103.55415	0.7
105.00050	1.5
105.06990	1.3
110.12541	0.8
119.08601	2.6
121.10130	2.1
122.02723	14.5
130.05017	7.4
133.10129	2.7
142.03233	2.4
142.37189	1.0
145.10092	0.9
161.13277	1.7
175.14912	1.2
181.98973	1.0
187.11229	1.0
188.03737	2.2
203.14273	18.9
213.62852	0.9
219.17424	100.0
220.17708	2.3
234.04387	2.1
243.48721	0.9
251.06941	31.7
316.53568	0.9
395.11771	1.2
398.46677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64773	16.7
55.05507	40.9
57.07071	39.9
65.36140	15.5
69.07049	32.6
71.08616	26.6
75.99612	17.3
81.07052	23.7
82.00597	20.3
83.08592	100.0
89.06039	24.7
111.08144	26.3
135.18515	17.8
349.59131	20.3
417.88229	20.8
437.98758	23.2
467.01407	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05946	0.7
52.49667	0.8
52.92947	0.7
57.27034	0.8
57.87721	0.9
65.14037	1.0
69.07047	4.0
70.06578	2.7
73.47470	0.9
83.04963	1.4
85.02891	3.9
86.09696	100.0
91.71030	1.1
95.01321	10.1
97.02930	1.5
109.79512	1.0
111.04418	3.1
122.07040	1.1
123.87323	1.1
132.10199	53.4
141.01819	4.9
144.21288	1.1
177.03896	8.8
222.08002	1.5
391.41827	1.3
470.24496	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48973	21.0
66.62244	20.0
67.05500	50.7
67.76820	21.7
69.03418	34.7
69.07062	23.1
70.06573	100.0
71.04992	29.5
80.75224	25.2
85.02885	53.8
85.06535	40.3
86.09708	39.6
94.92614	31.6
99.63771	25.6
105.02909	23.0
109.10162	55.6
121.43176	22.6
123.19363	23.2
133.10110	31.0
151.11166	55.1
169.12158	29.1
187.13319	78.3
205.14381	93.7
241.05342	24.2
245.05382	25.5
255.59033	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75668	12.2
66.46799	14.3
70.06567	12.5
71.63083	12.4
90.35411	13.5
111.71644	14.7
146.35597	15.3
154.31924	15.8
183.01582	17.8
223.09387	100.0
228.22095	16.1
459.32474	19.5
471.14551	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06419	20.0
51.93670	18.2
54.65678	18.8
54.69577	18.8
62.83948	19.7
64.01724	20.9
67.05476	22.8
67.48985	19.3
73.15726	20.5
75.73775	20.0
76.10926	20.7
86.56627	20.3
120.08086	26.4
201.56442	25.9
222.34456	21.5
223.09445	100.0
285.03986	45.5
346.13828	24.1
471.14868	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03271	3.3
56.96555	35.2
59.77390	3.3
67.47941	3.9
77.70365	4.3
77.75690	4.0
77.76291	3.8
82.36495	3.8
83.08992	3.7
84.90690	3.5
94.63842	4.3
102.92667	4.5
128.98621	5.6
129.87105	4.2
136.93118	18.0
146.99683	5.4
154.94170	50.3
172.95216	90.8
177.95753	32.6
179.10219	4.3
190.96255	29.5
195.96814	83.5
195.98502	5.3
210.96774	6.5
213.97838	26.5
218.98424	55.9
228.97795	15.8
233.98369	22.6
236.99550	14.5
239.99437	5.5
251.99426	14.9
275.01065	15.5
317.17844	54.2
335.18973	16.9
354.36179	5.6
356.18765	6.8
358.20520	72.0
453.17047	44.9
459.27716	5.9
471.11795	7.6
471.18250	61.3
494.19724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89968	2.7
76.63859	2.3
81.42923	2.6
85.76694	2.9
86.09695	100.0
129.00858	3.1
199.18121	11.3
227.17555	21.8
245.18661	13.1
306.33517	3.1
340.25745	4.4
427.18927	3.7
471.18484	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99207	11.7
59.72149	12.0
65.44934	13.6
68.76917	14.4
69.89642	15.4
72.56606	14.9
91.71056	37.9
91.98589	14.6
121.58813	14.9
136.13496	16.4
182.19392	17.7
414.95071	20.1
427.18777	39.6
471.18289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02193	2.0
53.03949	2.4
56.61438	2.1
57.03431	2.8
63.47554	1.9
64.51004	2.2
68.19936	2.0
69.03417	4.7
70.06557	2.8
70.95896	2.3
71.04967	3.1
72.08134	2.7
80.43934	2.0
81.03416	5.4
82.53884	2.2
85.02895	9.6
86.09723	2.9
87.00805	3.0
91.05475	2.5
97.02892	6.1
99.04472	2.6
108.95863	2.5
109.02869	6.7
109.10219	3.1
120.08095	5.5
127.03918	7.9
135.08063	2.7
137.09599	8.1
138.09166	9.2
140.34348	2.4
142.05583	2.5
153.09073	3.2
163.11104	3.6
165.09099	100.0
177.09100	6.1
179.14183	2.8
192.23218	2.6
205.12241	8.3
223.13322	7.1
269.53842	2.6
346.73892	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16077	5.5
73.38534	6.3
79.15614	6.4
91.87331	7.9
92.19974	6.9
100.02477	11.2
106.03081	7.0
135.11702	9.1
177.83340	7.4
183.05098	8.9
185.06551	7.7
216.08743	11.6
239.11366	8.9
244.11772	11.1
247.08156	16.8
247.42606	7.3
265.04050	8.1
265.09238	23.4
270.09665	43.8
288.10825	100.0
306.11685	15.9
329.13391	12.4
424.85458	10.3
453.17459	16.9
471.18430	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	12.8
55.59339	10.7
57.03425	34.7
61.02916	54.0
67.05497	87.5
69.03423	49.3
69.07078	24.9
73.02907	20.4
79.05506	17.3
81.03419	19.0
81.06688	10.9
81.07067	100.0
83.08611	16.8
85.02900	57.7
91.03931	32.2
91.05487	32.1
91.58783	11.6
91.71735	23.9
93.07040	33.4
95.08605	70.2
97.02904	50.6
99.04472	17.2
105.07037	22.0
106.44392	13.2
107.08614	27.6
109.10168	32.0
119.08533	19.4
119.30521	14.4
127.03939	27.9
131.48666	14.5
132.21027	15.7
135.11714	22.1
146.54051	13.5
164.34795	14.2
217.19505	23.6
309.24152	65.1
314.09192	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64662	1.8
63.24348	2.0
64.47294	1.8
69.07034	3.9
83.00205	2.3
86.09698	100.0
140.48889	2.3
140.62395	2.5
199.18102	11.5
218.52014	2.3
227.17456	12.2
231.17570	2.3
245.18639	11.8
266.33066	2.5
289.28696	2.6
295.23825	2.5
315.24265	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10815	9.4
55.84453	10.7
58.40619	9.2
60.08149	14.0
62.94415	9.8
67.05463	16.0
69.07060	10.7
70.06581	100.0
71.04971	21.7
73.63170	9.9
81.07024	20.2
95.08603	13.7
107.08587	11.8
116.07108	51.8
118.77274	10.6
136.25447	12.2
243.16219	11.9
309.15610	15.3
401.35110	14.2
435.90848	14.1
471.37997	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24593	4.8
55.33081	5.0
56.96569	7.3
57.03453	5.8
60.08154	18.7
67.05501	9.9
68.38057	5.4
70.06577	67.1
70.24960	5.1
71.04986	25.8
74.02432	12.9
81.07065	10.1
93.07022	7.2
95.08589	10.4
107.36584	5.4
109.10107	8.4
116.07082	43.7
152.42847	6.9
169.94661	7.3
175.10440	7.4
291.29443	8.2
346.02228	7.4
471.37857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	18.5
60.08154	12.9
65.68800	11.1
70.06573	52.3
71.04986	24.7
74.02423	13.4
86.09692	14.4
88.07636	13.1
91.70991	19.0
99.67045	11.0
101.54363	12.0
110.25967	10.6
116.07096	25.7
172.40704	16.5
258.60352	13.6
471.37933	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60441	7.7
55.05524	7.9
57.03203	8.2
65.15324	9.0
65.74602	8.2
69.07078	15.2
80.98992	10.2
81.07109	16.4
83.08630	16.1
95.08635	11.2
96.44372	9.0
101.30166	10.6
109.10181	13.7
119.86176	9.1
123.11709	11.3
129.15480	14.0
168.91965	10.3
170.03093	11.4
189.94000	11.2
238.06906	17.0
246.20107	11.6
249.56100	12.3
256.07944	72.7
275.20139	11.9
305.05713	11.2
396.46344	12.7
472.24973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15599	10.6
56.69190	12.0
62.77468	12.3
66.17223	14.7
74.74028	14.3
80.05036	13.4
80.36690	13.9
81.07019	28.2
85.02891	22.0
85.06525	19.9
88.12823	13.0
93.06966	21.5
95.08614	42.1
107.08573	16.6
116.53222	13.4
121.10158	16.4
133.10081	15.6
141.79570	16.4
219.13792	16.5
237.14894	19.3
275.20071	30.7
293.21027	100.0
487.26160	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	4.3
55.05518	4.7
56.04883	2.2
59.04997	2.7
67.05507	4.9
73.06568	9.9
75.36402	2.6
85.06535	23.4
87.04456	64.9
87.04950	4.5
89.06021	100.0
117.09141	6.6
126.09116	14.2
129.09106	46.4
130.08621	25.6
131.07184	3.2
133.08591	71.1
133.09499	4.3
173.11761	15.5
175.09734	3.3
177.11232	22.4
183.75867	3.1
208.45226	2.7
221.13928	4.0
225.71301	2.8
292.63382	3.2
307.94809	3.3
355.27832	3.1
455.28717	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19846	7.0
60.08156	82.4
61.35287	6.2
65.45526	6.7
67.15260	7.5
70.06578	26.8
72.08153	83.0
73.54752	6.9
83.04955	31.5
84.04479	15.7
84.08157	6.9
86.09679	70.3
89.10789	16.2
112.07639	9.9
114.70556	7.3
116.07079	10.7
130.12389	7.6
136.59117	8.4
141.10228	8.8
144.44151	7.6
189.32822	7.9
200.64816	8.1
224.77693	7.8
227.21227	27.7
320.49628	11.4
343.30515	14.1
413.27341	11.1
472.34885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37716	38.8
55.01843	40.4
56.96543	100.0
63.86395	43.6
77.38731	52.8
80.97570	62.6
82.43660	42.6
83.66846	47.2
93.07039	52.4
114.99188	64.2
116.30125	55.6
123.99005	53.4
144.92937	59.6
148.01456	53.9
169.58936	62.8
201.49184	50.0
201.72528	55.1
252.32472	68.7
264.60367	63.1
290.10593	93.1
304.08563	93.7
310.11374	71.6
409.06183	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	21.9
67.27259	15.1
80.82296	16.8
86.09684	18.9
92.05466	17.4
113.34540	15.6
154.94258	33.4
172.95180	84.2
177.95802	44.5
184.07260	24.1
190.96332	40.1
195.96812	93.8
210.96780	27.5
213.97990	21.1
218.98450	79.2
223.70082	18.2
233.98412	37.2
251.99438	22.8
319.19202	22.5
330.69107	19.8
332.76508	20.3
337.20370	30.2
360.22168	62.9
459.82120	19.3
473.19537	41.6
496.21457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52677	7.1
56.33771	7.2
57.20938	7.8
59.64656	8.0
60.81394	7.1
91.62761	9.8
108.88556	10.5
127.20869	8.7
262.72537	11.9
429.20630	37.7
436.31705	13.1
473.19919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39524	4.9
55.01842	6.1
55.05501	7.0
61.80209	4.3
69.03419	17.3
69.07047	5.5
70.75653	6.0
71.04993	13.6
79.05462	5.3
81.03427	11.1
81.07020	5.4
85.02908	34.9
86.09692	12.7
87.00810	5.5
91.05453	7.5
97.02880	10.9
99.04436	7.3
100.11227	6.6
105.07024	16.6
109.02899	7.9
109.10160	13.4
119.08578	13.4
121.10152	24.3
121.48978	5.5
123.08121	6.8
127.03909	6.9
127.90905	7.1
131.08566	7.8
133.61249	5.9
137.09619	33.8
139.92967	5.9
147.11717	10.9
149.09607	100.0
166.12941	7.1
171.11797	10.7
177.42291	7.0
186.09215	7.4
189.12738	52.0
200.77788	6.8
207.13803	87.3
215.62939	7.0
225.14836	60.2
226.51213	6.5
258.00143	6.1
339.90173	6.8
340.92816	6.7
390.53729	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02110	30.1
70.06597	100.0
78.46399	31.7
81.07066	64.7
84.04485	43.3
86.09713	75.1
107.08577	48.6
107.78174	36.5
109.06552	68.4
119.38622	41.1
121.10132	51.1
123.08108	56.9
147.11726	47.6
149.09711	48.8
151.54893	32.5
362.48041	42.3
368.22314	39.4
376.50415	44.3
436.09952	44.7
441.70413	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84022	3.1
53.03926	3.6
53.26537	3.8
55.01856	5.4
57.07053	3.7
59.04980	5.8
69.03406	14.5
69.07045	3.9
69.39458	3.3
70.06576	5.2
71.04979	13.6
79.05466	7.5
81.03403	12.9
81.07050	15.2
83.04974	9.9
83.08608	4.7
85.02885	31.1
86.09688	9.5
87.00830	10.6
87.04449	8.5
91.05455	9.2
93.07034	14.2
95.04988	10.0
95.08599	16.3
97.02877	15.8
97.06519	15.5
99.04452	10.8
105.01889	9.5
105.07020	20.5
107.08587	71.9
109.02877	13.3
109.06509	100.0
117.34177	3.4
119.08583	15.2
121.10135	42.0
123.08052	88.5
123.11695	18.1
125.09651	16.1
127.03922	16.1
131.08539	9.8
137.13293	9.2
139.11171	10.6
144.01088	4.1
145.04898	4.5
145.10104	5.5
147.11671	39.5
149.09607	97.4
151.07585	15.3
156.09280	5.7
158.87553	4.6
159.02974	4.9
161.13338	4.4
163.11168	5.7
165.09097	5.1
165.12733	15.4
167.10634	17.5
171.11694	5.1
172.11984	4.0
179.14243	21.0
183.13826	5.8
189.12735	16.9
207.13797	68.9
225.14771	25.5
284.84064	4.1
310.24808	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62816	1.4
71.94859	1.4
91.05515	2.4
91.71015	3.0
101.50858	1.7
105.07100	2.3
106.07847	2.4
119.08599	1.8
127.55386	1.6
134.07343	4.6
135.08044	100.0
250.64175	2.0
264.76428	2.1
295.17346	3.7
364.01392	2.2
457.64182	1.9
473.34766	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25406	4.1
60.31403	3.8
96.42304	4.8
107.69470	4.9
120.69898	4.2
180.56259	4.9
180.92833	4.3
206.43709	4.6
265.34674	5.6
473.34436	100.0
490.88773	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59286	3.6
61.72145	3.0
64.54529	3.5
71.71637	3.3
73.36063	3.4
73.77421	3.4
92.84276	3.6
116.95582	4.1
143.13348	3.8
297.85037	4.7
305.15488	5.0
314.97650	5.0
389.48203	4.5
473.34521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	66.6
55.62380	10.2
57.03414	22.5
57.07077	100.0
59.35324	9.4
59.73378	10.3
67.05489	54.5
67.49065	11.1
69.07045	29.8
69.46298	13.0
71.08616	73.0
79.05484	14.0
81.07053	66.6
83.08608	52.9
85.10166	35.9
95.08568	30.1
97.10147	65.6
109.10155	40.9
120.82687	14.5
125.09651	44.0
140.53316	11.5
143.10651	13.4
217.14447	52.2
239.23798	35.3
285.18234	18.3
313.27402	83.8
326.32355	15.7
372.58643	14.3
428.71973	12.5
455.37286	57.5
473.34811	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63671	10.9
55.05508	19.4
60.08154	33.9
60.55967	11.2
69.07072	22.3
70.06581	70.4
71.04982	31.3
74.02449	12.7
81.07053	26.4
86.09694	22.7
95.08602	30.4
111.10117	11.8
116.07083	45.0
145.35408	15.5
169.31352	13.4
175.66023	15.3
329.88083	17.1
371.32114	17.0
473.39581	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34068	2.0
55.05490	8.4
57.07059	3.2
60.08163	21.2
67.05492	8.4
67.05861	2.2
69.07055	11.9
70.06582	92.4
71.04985	30.7
74.02445	16.1
81.07039	11.0
83.08594	2.8
88.07621	7.1
95.08588	10.4
97.10137	3.3
101.93315	2.5
104.02064	3.0
109.10162	3.4
111.52538	2.7
112.07600	12.3
116.07084	58.9
121.10207	3.5
158.08141	13.3
161.20909	3.0
190.60355	3.5
202.50992	2.9
384.67545	3.3
414.31882	3.7
433.97021	3.2
473.39410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	16.5
60.08169	25.8
67.05502	24.9
67.27536	9.9
69.07048	10.2
70.06583	100.0
70.06902	10.5
71.05000	38.4
81.07068	43.2
81.41875	8.8
83.08639	13.7
86.09668	14.3
93.44510	10.5
94.68297	10.2
95.08639	36.5
106.29286	9.9
109.10126	10.7
112.07640	11.1
116.07088	55.0
122.96025	9.4
128.64110	10.4
158.08170	12.2
166.16330	9.6
169.85020	11.5
196.42903	10.2
351.24127	11.3
473.39395	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	12.6
60.08157	21.7
60.83062	10.4
67.05512	18.0
69.07075	15.5
70.06583	78.2
71.04999	32.4
74.02469	14.4
78.99043	11.0
79.57519	12.9
81.07033	12.5
86.09711	11.4
88.07647	15.4
89.42162	11.5
95.08631	34.2
95.21403	11.0
105.15756	11.7
116.07135	41.9
118.64369	11.0
119.05324	11.0
140.66302	12.6
158.08113	11.6
191.05794	11.3
193.51181	12.9
235.75435	11.8
272.14825	14.8
464.26813	13.6
473.39615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05478	0.8
50.08677	0.7
54.25527	0.7
54.61534	0.6
55.01842	0.8
59.27080	0.7
69.07062	3.2
69.17505	0.7
70.06564	0.9
85.02903	1.4
86.09699	100.0
92.28231	0.9
102.51265	0.8
121.06529	2.4
122.70417	1.0
132.10204	64.7
145.30688	0.8
148.50522	0.9
156.46658	0.9
157.99010	1.0
161.50124	0.9
168.53682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73616	6.2
59.97143	5.8
67.05476	16.6
69.03436	7.0
70.06580	7.6
71.04984	35.0
72.53416	6.1
72.79745	8.8
78.42710	6.6
79.18052	7.5
82.60628	7.0
83.08592	11.1
85.02878	14.2
85.06539	84.4
88.96742	6.2
91.05450	11.2
91.70947	14.1
93.07030	21.4
94.55554	6.5
95.08618	9.3
96.65072	7.8
97.06528	9.3
105.01845	18.2
105.07037	13.8
107.08558	47.7
109.06519	21.6
109.10204	15.5
111.08048	8.9
121.10152	29.4
123.08097	22.4
131.08574	21.3
133.10103	9.0
134.01743	8.2
135.08063	25.0
147.11678	9.3
173.13226	42.3
191.14288	100.0
249.35928	8.7
256.47873	9.4
352.02994	9.5
438.24161	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36060	4.2
55.05501	9.7
67.05492	17.6
69.03433	6.0
69.07045	4.8
71.04990	24.9
79.05464	4.7
81.07032	12.4
83.08592	7.5
85.02876	12.0
85.06010	7.7
85.06529	95.7
86.09697	5.5
88.33447	5.1
91.05460	12.2
93.07037	18.6
95.08601	11.1
97.06510	14.8
105.01859	8.5
105.07040	14.3
107.08599	49.0
109.06542	24.9
109.10134	14.6
111.08063	18.0
119.08582	8.9
121.10139	26.7
123.08054	12.1
131.08556	28.1
133.10104	49.0
135.08047	24.8
143.08644	4.7
145.10095	9.2
146.08302	5.0
147.11668	10.3
149.09602	8.6
158.33018	5.0
170.29121	5.5
173.13193	34.1
185.65459	5.2
185.69652	5.4
191.14290	100.0
202.93120	6.3
209.15327	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09583	1.9
55.05501	16.3
57.03433	19.1
64.56393	2.2
65.03905	3.7
67.05495	67.8
69.03390	2.6
69.07058	9.2
79.05487	28.4
79.72166	2.4
81.07047	40.3
83.08614	3.5
87.38737	3.2
91.05476	46.3
91.71058	4.7
93.07029	33.6
95.04982	4.4
95.08595	29.0
99.75368	2.6
105.07021	24.6
107.08598	15.2
109.10137	5.3
117.07019	8.1
119.08569	24.2
120.28352	2.6
121.10167	13.7
127.35723	2.9
129.07014	5.3
131.08565	5.8
133.10149	11.8
145.10143	4.2
161.13251	9.5
164.91083	2.8
171.11711	5.6
304.57251	3.5
316.29614	2.9
333.24176	100.0
334.24490	3.4
337.25613	3.3
338.71558	3.2
376.81787	3.3
395.59177	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39264	1.4
53.47012	1.5
73.04759	2.2
77.00583	15.1
79.02186	1.9
86.04264	1.8
89.06013	13.3
91.05813	5.2
95.01637	53.6
99.02669	4.1
100.31367	1.5
101.04220	2.5
102.03782	4.9
114.07375	17.7
117.03693	4.2
118.03204	100.0
119.01659	4.4
119.03620	2.6
121.03236	5.0
130.08644	2.2
142.06886	4.7
144.04814	5.7
145.06807	27.3
147.04706	28.9
161.10019	2.7
165.05826	4.4
169.03421	2.4
188.07442	6.2
189.09399	81.6
192.05219	2.9
192.24825	1.7
218.82126	1.8
235.10051	4.5
239.09604	5.3
277.10117	2.6
277.14648	44.4
307.32965	1.8
380.92764	2.1
457.23749	2.8
477.39490	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	2.3
57.03422	6.6
57.07063	16.0
58.06311	3.3
58.06595	59.2
59.07381	16.3
60.08163	17.9
60.24755	1.8
67.05479	4.0
69.07034	2.3
71.08604	6.2
75.04462	4.2
81.07057	4.2
82.97379	1.9
85.02895	4.0
85.10193	3.9
87.04459	3.9
88.93157	2.3
93.94463	1.9
95.08604	5.0
106.43251	2.0
131.07016	3.2
144.10185	12.7
148.18671	2.3
148.64574	2.5
162.11154	2.7
194.81023	2.5
213.54193	2.2
236.14922	100.0
340.61090	2.4
456.36810	21.1
474.37872	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01852	9.5
57.03421	5.0
58.58361	3.8
69.03420	25.4
70.06586	5.4
71.04988	5.3
73.02895	4.0
73.11267	3.5
81.03410	35.0
84.04480	5.0
85.02892	77.5
86.09682	11.1
87.00816	21.2
87.27415	3.8
93.07031	5.0
97.02872	49.9
99.04468	13.7
103.05456	5.1
105.01849	32.7
109.02878	22.9
111.47186	3.7
116.50158	4.2
121.06503	100.0
127.03905	55.0
135.54762	3.9
145.04979	25.9
159.02904	13.4
188.43318	4.1
210.07613	45.3
219.36545	3.8
231.05052	14.4
232.11908	3.7
249.15715	41.4
474.68936	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49840	8.2
55.05542	11.5
59.94454	10.4
67.05491	12.3
67.91726	11.5
70.06596	23.8
71.04990	14.8
79.05511	15.6
81.07066	11.3
84.04520	52.5
86.09740	22.2
88.04000	31.8
91.05476	15.0
91.71022	24.0
95.04980	17.4
105.07114	15.0
107.04947	100.0
112.52328	11.9
117.07075	14.0
119.08586	17.3
121.06535	31.2
121.10157	14.2
130.05051	21.1
133.10123	14.7
143.08560	20.2
145.06488	12.8
189.09111	26.4
225.11372	23.9
323.17987	14.8
386.09436	13.3
475.17636	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86634	0.7
58.27556	0.8
63.96716	0.8
66.48546	0.8
67.05484	1.3
70.06592	2.1
83.85303	0.9
105.07024	1.2
106.45965	0.9
107.08672	0.8
109.06573	1.4
110.72730	1.1
120.25712	0.9
136.08435	1.3
155.80814	1.0
191.14319	1.5
329.98587	1.2
475.32507	100.0
476.32010	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91691	7.7
53.69902	7.6
55.05164	7.5
57.03423	21.8
57.07069	67.5
61.02919	58.9
67.05492	22.9
69.03405	36.0
71.08615	37.2
73.02905	23.5
73.05241	8.6
73.87598	8.2
81.03413	13.6
81.07043	24.2
83.08621	19.3
85.02911	51.3
85.10172	27.5
88.52901	9.1
91.03950	31.8
95.08615	43.6
97.02870	48.0
97.10119	15.3
99.04412	11.7
109.02916	15.7
109.10118	15.8
119.71274	9.5
127.03915	17.5
176.20993	11.2
190.29152	10.7
239.23708	22.2
308.64209	13.7
313.27335	100.0
475.32315	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70812	9.9
55.68390	9.2
57.03414	24.8
57.07056	40.3
59.83098	9.9
61.02903	34.0
63.57546	9.8
67.05489	20.4
69.03427	24.4
70.52180	15.9
71.08599	26.6
73.02888	22.1
81.07033	27.5
83.08595	22.0
85.02888	50.9
91.03949	26.8
91.71058	17.1
93.85048	12.5
95.08586	26.0
97.02878	41.5
109.02861	13.3
109.10171	20.7
127.03963	20.6
130.05252	17.6
154.26463	14.3
171.17871	13.6
239.61812	16.1
310.34662	14.3
313.27499	48.4
475.32492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31040	4.1
56.36660	3.9
60.08147	17.8
67.05476	13.6
69.03428	6.5
69.67412	5.5
70.06234	7.2
70.06583	79.3
71.04984	25.7
72.16786	4.5
73.05315	5.1
74.02413	13.3
76.02216	7.4
76.90138	4.6
81.07050	9.2
88.07576	7.4
91.05477	7.8
93.07034	6.8
95.08608	7.4
97.45879	6.4
109.06539	9.1
112.07606	5.3
116.07095	34.6
121.10101	7.4
191.14357	7.4
193.76137	5.4
218.50482	6.7
346.85641	6.1
354.34827	6.2
380.13342	5.9
475.23117	25.8
475.33347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38057	2.3
55.05506	2.7
56.56092	2.1
60.08149	11.9
62.13039	2.7
62.13383	2.1
67.05498	8.0
67.47095	2.9
69.07074	3.4
70.06580	63.5
71.04984	17.0
72.08168	3.1
74.02419	6.2
81.07064	5.8
83.08599	3.2
83.71567	2.4
84.04488	3.8
84.08137	2.9
86.09688	3.3
88.07641	5.4
91.55110	2.7
93.07031	5.2
95.08609	9.2
102.26109	3.0
112.07612	5.1
116.07086	28.4
126.25550	2.9
158.08151	8.8
165.52872	3.4
173.20161	3.0
208.12434	2.9
276.13791	3.5
475.33240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77119	1.5
63.48369	1.8
69.03421	2.2
70.06557	2.6
74.02433	58.7
84.04488	2.2
85.02898	7.1
86.09704	12.5
87.05603	5.5
87.10048	2.6
88.03983	56.7
93.53592	1.7
97.02896	2.6
116.03439	14.3
127.03923	7.2
132.10197	4.5
133.06064	9.3
133.10529	2.2
134.04485	100.0
135.54625	1.8
145.04979	3.6
146.71640	1.8
279.59979	1.8
297.33459	2.2
338.91980	2.2
412.42831	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79459	12.2
58.99572	16.2
69.03416	47.3
70.06567	33.2
72.08142	23.2
76.02210	45.5
78.49831	13.5
84.04503	70.9
84.08150	18.4
86.09707	22.4
89.06046	16.7
102.05556	26.7
120.08159	23.8
151.11119	16.3
158.67625	17.9
179.04767	23.7
273.08655	23.2
283.75275	19.6
308.09100	31.7
311.10345	33.6
329.11359	100.0
412.14856	28.2
458.15952	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16692	3.1
51.80896	4.1
56.05015	7.4
59.50406	2.9
59.93045	3.3
67.05474	3.3
69.03394	5.9
69.29865	3.3
70.06578	12.5
76.02205	8.4
82.06618	4.0
84.04498	41.7
86.09675	6.4
96.67305	4.1
102.05540	13.7
106.79491	3.8
107.50543	4.5
108.04484	5.2
110.06026	8.1
110.13769	4.8
113.07136	8.7
130.04994	8.1
134.05983	8.8
152.06976	7.1
156.33093	4.7
159.07697	14.3
162.02393	4.5
178.04932	26.2
200.70343	4.4
201.10246	5.6
211.08745	5.8
213.06494	10.0
227.31689	4.4
229.09608	5.6
231.07671	5.2
241.09726	7.0
257.12692	6.1
269.09161	7.0
273.08557	8.3
283.10818	12.0
285.12338	8.7
287.10431	5.9
301.11783	4.7
311.10291	37.2
312.52469	5.1
329.11307	100.0
339.01865	5.1
384.15448	6.3
394.13907	13.9
412.14792	22.0
420.52701	4.9
430.16235	21.2
440.14215	13.6
458.15604	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18141	0.5
60.20818	0.5
62.75735	0.5
63.79473	0.5
66.67217	0.7
70.06560	0.6
75.73029	0.5
84.04473	1.4
86.09705	1.2
91.05495	3.4
91.59636	0.6
93.07038	5.9
95.04966	2.0
97.02856	0.5
103.05432	3.2
103.24847	0.6
119.37520	0.6
121.06497	100.0
129.23442	0.5
138.09137	26.4
141.63185	0.6
148.06158	0.7
172.70689	0.6
202.33322	0.7
222.69719	0.6
482.65408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02251	1.6
63.62659	1.6
67.25737	1.3
68.05012	1.5
69.03419	4.5
70.06564	2.5
80.05006	1.4
81.03416	5.4
84.04497	19.1
96.04486	18.0
97.02892	3.1
98.06030	10.0
102.05542	6.6
109.02866	4.8
116.07085	6.0
126.05508	21.2
127.03973	1.9
130.05009	7.3
138.05492	100.0
144.06552	25.9
148.06041	34.5
168.06569	17.4
186.07602	12.4
270.35904	1.7
275.72516	1.6
291.11844	4.4
301.13925	20.1
329.13422	11.1
351.65897	1.8
406.70883	2.1
492.36124	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01864	3.2
55.05516	8.6
63.82751	2.5
64.11744	2.4
67.05505	11.5
69.03440	6.3
69.07063	5.4
70.45160	2.5
71.04994	7.7
77.59251	2.5
78.74557	2.8
79.05475	19.4
81.03445	3.6
81.07034	16.9
83.04987	2.7
85.02903	20.1
87.00806	4.4
91.05475	94.1
91.71049	3.1
93.07034	51.0
93.07569	4.5
95.04955	13.9
97.02897	9.2
105.01858	13.9
105.07019	97.0
107.08599	4.8
109.02911	3.5
109.06529	3.9
115.05460	3.3
117.07052	6.3
118.45679	2.8
119.08572	84.0
127.03986	7.9
129.06993	29.9
131.08578	33.6
133.10123	100.0
133.11079	5.6
142.07808	6.6
145.05020	3.3
147.08102	5.5
147.11684	36.4
157.10120	19.5
166.85724	3.3
175.11180	72.8
188.38480	3.1
193.12221	77.3
195.70779	3.2
226.75670	3.5
231.04967	5.1
236.33522	3.0
276.05896	3.1
307.89893	3.3
475.32635	4.8
476.32657	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30962	9.0
51.18482	8.9
57.38126	8.3
57.70962	8.8
59.83705	9.2
63.18931	9.5
71.04955	10.9
79.05489	11.6
81.07047	15.9
91.05445	56.8
93.07038	24.0
97.02883	10.6
105.07022	73.3
112.84652	10.9
119.08579	57.2
126.52843	11.4
129.06993	17.7
131.08571	25.2
133.10126	100.0
146.52379	15.4
147.11690	34.1
157.10129	14.6
175.11130	54.6
180.97644	11.4
186.81790	11.5
193.12228	44.5
200.06366	12.7
216.39160	11.6
228.66878	12.1
328.09283	13.0
353.18591	12.3
475.32651	27.5
476.32877	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.4
67.05496	14.6
69.03407	20.4
69.07067	10.4
76.02229	16.6
79.05484	9.9
81.07049	15.5
84.04491	9.5
91.05473	9.3
93.07031	26.8
95.08611	27.1
99.08065	9.0
105.07021	68.9
107.08608	39.1
113.04335	9.1
119.08566	62.2
133.10110	61.3
135.11703	54.3
175.14796	100.0
179.04901	10.8
189.54785	9.1
202.08694	10.6
225.50200	10.5
308.64810	10.9
476.32404	12.7
495.07944	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.4
67.05496	14.6
69.03407	20.4
69.07067	10.4
76.02229	16.6
79.05484	9.9
81.07049	15.5
84.04491	9.5
91.05473	9.3
93.07031	26.8
95.08611	27.1
99.08065	9.0
105.07021	68.9
107.08608	39.1
113.04335	9.1
119.08566	62.2
133.10110	61.3
135.11703	54.3
175.14796	100.0
179.04901	10.8
189.54785	9.1
202.08694	10.6
225.50200	10.5
308.64810	10.9
476.32404	12.7
495.07944	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.9
57.03427	13.1
67.05499	49.7
69.07045	11.2
74.00693	5.5
79.05476	16.8
81.07058	40.5
90.96450	6.7
91.05470	8.0
93.07027	26.6
95.08600	27.5
107.08632	8.8
109.10165	11.6
121.10149	12.8
158.73335	6.8
165.44464	6.7
185.83951	7.7
192.95572	7.0
270.79221	8.4
307.32925	7.6
335.25711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.2
57.03424	18.5
59.20593	11.2
66.88803	10.2
67.05502	63.3
69.06741	12.6
69.07076	16.5
70.13538	13.0
76.96500	12.2
79.05510	43.2
81.07073	61.8
83.39491	12.4
91.05483	38.2
93.07064	51.2
94.21718	11.9
95.08017	14.0
95.08633	40.7
105.07014	13.0
107.08643	20.4
111.04576	14.1
220.08849	15.0
247.17700	15.1
335.25757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99840	22.1
60.61042	28.6
61.95674	29.5
66.22427	31.3
74.11401	29.8
81.28178	30.2
95.08554	29.3
113.15440	33.2
154.02144	34.8
197.45093	38.7
206.74124	35.3
308.55426	36.6
335.25726	100.0
476.32672	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31851	1.5
61.31918	1.5
62.07290	1.6
69.03419	3.5
70.06583	3.7
70.85948	1.7
72.08170	2.1
76.02232	5.4
81.07084	1.9
84.04501	4.0
86.09700	2.0
87.04480	7.6
89.06023	100.0
91.07623	1.7
102.55704	1.8
116.01643	2.5
120.08071	3.1
130.08643	28.6
131.07050	3.5
133.08601	71.6
177.11224	22.0
179.04877	3.7
219.90889	2.1
221.13823	2.6
230.99231	2.1
236.31786	2.1
275.71997	2.1
385.13382	2.6
459.27835	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	27.7
62.34754	4.7
68.93138	5.2
70.06596	8.8
71.48647	4.9
73.96698	4.9
84.96039	9.4
95.48310	6.0
98.97572	85.7
100.99120	5.9
108.00697	5.6
110.97600	8.2
112.99131	16.0
116.98602	30.6
125.66096	6.2
130.88057	5.1
131.00171	22.5
134.99617	9.3
140.00171	36.8
143.00241	10.5
146.99696	5.7
149.01215	12.5
152.00220	10.6
154.01801	16.5
156.90810	5.6
158.01274	14.0
158.99640	47.1
161.01213	36.8
166.01753	11.3
172.02881	6.0
173.01320	19.9
177.00681	29.0
178.94035	5.9
179.02318	12.3
181.02936	15.0
182.01212	10.1
184.02803	24.4
185.01253	20.8
190.26810	6.1
191.02271	15.2
197.00945	6.9
197.75597	7.0
200.02332	47.6
200.04005	7.7
201.00891	7.5
202.03922	7.5
203.02274	45.1
207.04321	14.3
208.02698	6.2
214.03862	25.9
217.03792	9.3
221.03392	9.0
225.17830	7.0
226.03879	72.0
227.02243	17.1
242.03423	9.8
244.04918	10.4
245.03362	23.6
249.05452	10.3
263.04510	8.9
268.04816	32.0
286.06158	12.4
287.04431	22.2
289.95590	8.5
305.81558	7.4
313.05981	16.6
346.08023	12.2
347.06573	34.6
365.07529	8.7
388.09045	38.0
391.09106	49.3
433.10138	100.0
477.09827	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86322	9.3
56.28436	9.6
58.32368	9.6
65.26170	10.6
67.05492	17.4
68.52564	12.2
69.03426	13.7
70.06582	49.5
72.08131	20.6
76.57755	9.5
79.05493	17.0
81.07050	15.8
81.70033	14.3
83.04963	15.0
84.04491	100.0
85.02900	30.8
88.29317	10.8
91.05467	19.3
93.07040	15.6
105.07038	45.5
107.08618	14.7
118.36856	10.6
118.37888	12.0
119.08557	18.6
120.98730	13.4
120.99567	41.6
121.10205	13.9
130.05013	68.3
131.08556	33.1
133.10095	25.4
138.02200	53.8
138.09242	12.0
146.06041	40.5
156.74367	12.4
158.06027	26.9
178.35080	14.8
199.65659	11.6
217.08200	21.0
267.06445	79.6
357.69217	13.8
464.87411	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	15.8
60.12397	8.5
67.05487	10.3
69.03392	14.5
70.06577	78.7
70.06870	9.0
71.05018	11.4
81.04018	9.6
83.04929	9.6
84.04498	100.0
85.02909	31.5
91.05485	29.7
91.71049	14.0
93.07029	24.7
99.89146	12.1
105.07027	45.0
116.07104	23.4
120.99598	41.9
130.04980	57.1
131.08572	41.2
133.10173	14.0
138.02216	68.7
147.11703	12.1
162.78639	11.9
167.11887	13.1
217.08340	15.8
249.05310	17.6
251.38551	15.1
267.06381	82.4
315.57037	13.4
361.14209	13.3
375.32202	14.1
433.32086	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33173	13.1
59.00299	12.5
66.83302	12.8
69.95064	12.7
70.14632	13.4
86.09653	24.9
92.16968	17.9
109.75355	14.8
110.03383	14.7
117.76054	15.5
119.83071	14.3
126.70551	18.2
127.83417	15.3
136.85266	15.9
152.80991	18.2
300.70764	18.6
323.15622	18.7
477.24295	100.0
494.73297	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86434	7.8
51.88192	8.1
56.96558	71.2
60.21516	9.4
84.96005	24.3
91.71588	11.9
98.97567	100.0
107.16557	10.0
110.97574	17.0
116.98593	56.0
119.34229	11.2
128.98611	35.3
134.99635	21.2
140.00194	52.4
146.99669	12.3
149.87354	12.3
152.00177	20.7
158.01305	29.4
158.99748	11.9
170.01219	13.9
170.99692	18.4
181.02905	25.7
189.00847	14.2
212.02370	20.1
219.01807	35.7
237.02870	48.9
242.01221	15.3
242.03307	80.5
260.04401	63.9
283.06030	89.2
369.11987	20.2
392.13739	85.9
410.14716	54.4
434.14716	39.0
468.74847	14.0
478.13910	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99580	18.7
61.56072	8.7
70.06570	12.8
71.08610	20.3
76.02213	100.0
79.05473	12.1
81.07050	11.1
84.04494	50.1
84.08115	11.9
86.09698	12.8
99.08077	27.0
102.30916	9.9
107.08585	26.4
116.01663	21.5
133.37735	10.5
135.08087	34.2
153.09114	24.0
162.02264	25.2
179.04886	30.1
203.07327	14.5
228.10460	22.5
246.11360	11.9
256.10294	13.3
258.69421	11.9
283.52139	11.3
331.13202	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76448	4.7
55.01836	5.3
55.05499	6.5
57.03444	4.9
57.47901	5.4
58.99569	23.7
67.05476	9.6
70.06589	14.9
71.08624	37.7
76.02221	100.0
79.05470	5.6
79.49549	6.4
84.04491	29.6
85.01127	9.8
86.00623	6.6
86.09700	8.6
91.71649	11.0
97.02906	10.6
99.04459	12.6
99.08094	27.1
107.08589	22.8
114.00108	13.8
116.01687	9.0
117.20154	7.2
129.06526	9.3
130.05014	17.5
133.15448	7.0
135.08023	15.8
142.03265	9.3
153.09122	20.8
162.02191	26.2
179.04875	26.8
194.77554	6.7
203.07422	25.4
210.09647	7.7
228.10509	28.1
246.11327	10.6
313.12106	20.3
331.13223	86.1
349.14319	9.8
403.15097	13.4
454.34583	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05233	32.1
56.37658	31.3
58.39932	28.6
62.48851	30.8
67.05500	46.4
67.49118	31.7
67.68320	33.3
69.03397	52.9
71.05007	38.3
81.03381	54.7
85.02911	95.3
91.05489	40.4
95.08612	64.5
97.06463	38.4
105.01875	51.2
127.03889	43.6
127.22839	47.4
127.27521	37.6
133.82359	38.9
135.11681	100.0
150.80408	47.1
159.11760	56.8
177.12773	49.2
195.13792	80.4
219.20544	36.9
246.05498	47.2
261.44379	37.9
263.12234	41.5
409.36890	49.6
447.43024	49.4
484.16434	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05494	16.5
57.03436	13.4
63.45187	7.4
67.05493	39.0
69.07067	24.6
70.02401	7.8
75.83807	7.1
81.07072	34.6
83.08620	9.6
87.61804	7.0
89.79539	8.0
93.07080	8.1
95.08632	24.6
106.25066	7.8
110.43488	8.4
158.51027	7.3
165.18477	7.5
206.05533	7.9
215.96831	9.5
232.99637	9.2
234.97685	8.5
337.27301	100.0
342.49875	9.2
502.93558	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.1
60.74942	13.9
62.06086	65.9
67.05490	62.4
69.07047	35.6
73.22098	11.1
74.65673	12.5
81.07056	75.2
83.08601	16.2
91.05477	14.7
91.71690	15.6
93.07035	29.5
95.08609	55.2
109.10171	17.9
119.08618	13.8
120.65186	14.8
132.48155	12.0
161.22934	14.9
172.79445	13.6
190.80971	12.3
204.93242	12.5
227.95616	13.2
231.73738	12.1
240.18364	14.8
260.09344	14.1
279.08310	15.8
306.27792	18.8
335.04614	16.9
337.27277	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50024	7.9
69.03426	16.0
70.06581	31.9
72.08146	10.7
81.06049	9.9
82.18559	11.3
84.04485	71.4
84.61469	11.1
85.02896	23.8
86.03551	9.6
91.70948	9.8
118.89081	10.5
120.42517	11.0
130.05037	23.9
130.06522	55.2
132.04454	25.3
132.56427	11.8
137.69873	11.9
157.07649	22.7
158.05959	64.5
175.08629	100.0
180.38997	12.9
221.09216	80.5
317.83340	13.0
350.13348	15.7
479.18463	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00557	4.3
53.71011	4.8
56.22924	4.4
56.47228	4.7
60.62656	5.1
60.68050	4.9
64.36932	4.8
85.26498	4.9
91.70957	9.4
98.15188	5.3
118.42972	5.7
142.03468	6.8
171.90164	6.1
216.07797	7.2
250.78067	6.7
262.29474	6.7
289.05209	47.6
435.19952	19.2
473.72638	6.6
479.18903	100.0
495.66147	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	18.4
67.70081	9.2
69.07095	9.2
70.48634	8.1
70.63633	8.1
72.38385	10.0
73.81350	7.8
86.89446	8.7
87.49116	9.1
97.06542	10.0
100.11284	10.8
117.43111	8.2
125.90241	8.9
136.61899	9.9
159.09157	14.3
192.58087	11.6
198.08701	9.0
289.05289	91.4
331.42123	10.9
479.18811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2286
Annotation	Divaricin B
Peak:m/z	Relative Intensity
51.17556	1.8
53.59913	1.5
55.33294	1.7
59.57067	1.6
59.89512	1.5
63.79494	1.6
84.99440	2.0
91.71011	4.7
115.16837	2.1
142.27843	1.9
142.43944	2.0
162.33900	2.1
196.71486	2.2
198.68091	2.2
225.44308	2.2
391.50266	2.4
479.22824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86913	20.4
55.89436	25.4
56.00308	19.4
57.07061	100.0
64.45183	22.6
64.64220	23.1
71.08629	97.8
85.10166	61.5
88.65061	25.4
89.05998	25.1
95.97762	24.2
112.62946	28.0
125.06019	54.4
151.04433	25.1
153.05482	81.7
165.09113	35.9
338.45877	30.9
419.35071	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11295	17.5
57.07055	100.0
61.11839	20.4
65.14949	20.2
69.07046	49.7
71.08611	82.9
76.02687	23.9
81.07044	47.8
82.82364	22.7
83.08624	42.3
85.10175	39.2
85.78170	24.0
93.07030	31.3
95.08603	37.5
101.06021	34.2
116.65274	22.0
116.73141	26.7
127.07545	59.1
129.05486	85.8
149.13214	27.2
187.65952	27.4
203.16130	29.5
272.24014	23.0
294.30817	30.5
294.65186	25.7
396.01859	27.8
421.15610	36.2
443.02930	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3843
Annotation	Carpaine
Peak:m/z	Relative Intensity
51.74661	7.6
53.90285	9.3
55.05483	10.6
58.26130	8.8
58.38110	8.7
60.08154	31.8
61.85872	8.3
63.27584	9.5
67.05498	23.5
70.06585	94.6
71.04987	31.5
74.02448	15.1
79.05485	11.5
81.07038	29.7
93.07015	15.9
95.08613	16.5
105.06995	12.2
115.38554	11.6
116.07091	59.3
133.38579	9.6
144.45467	12.9
183.39334	11.3
200.38646	10.5
420.30997	11.7
479.38391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54980	2.1
54.85038	2.0
56.23591	2.1
57.03426	2.6
57.90776	2.8
61.02914	4.0
69.03413	12.0
71.04948	2.4
81.03413	3.0
84.04523	3.3
85.02898	58.5
93.07020	5.3
95.04965	22.6
95.53905	2.5
97.02885	13.8
101.36952	2.4
108.47195	2.8
109.02848	4.1
121.02861	29.5
121.06497	100.0
127.03923	11.9
131.38185	2.5
138.09129	38.4
139.03886	90.2
145.04962	13.7
157.24727	2.5
163.06024	2.7
177.88203	2.6
180.06570	2.8
218.89536	2.8
372.14517	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06239	0.4
52.70496	0.5
53.03941	0.6
53.30146	0.5
75.83815	0.5
76.88094	0.5
85.02910	1.9
91.05463	2.9
93.07037	5.5
94.13041	0.6
95.04953	3.1
97.02888	0.9
103.05471	3.2
107.00243	0.6
108.11469	0.6
114.91226	0.5
118.06484	0.6
121.06497	100.0
122.06802	1.4
138.09131	27.8
139.03871	4.7
139.09459	0.7
145.04869	0.6
145.81841	0.6
161.58337	0.7
193.96159	0.6
314.10391	0.6
431.70886	0.8
500.83737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77765	2.6
55.01868	4.3
60.46380	3.3
61.09851	3.1
65.08057	3.3
69.03418	7.6
70.06570	4.5
71.19435	3.2
72.16104	3.0
80.33229	3.3
81.03425	5.9
81.07043	19.3
84.04510	4.1
85.02905	14.3
97.02858	4.8
99.04459	7.5
105.01889	5.1
109.02876	5.2
109.06493	6.0
109.17443	4.3
111.04474	4.9
116.87903	3.4
120.08159	3.9
123.04433	4.6
127.03925	9.6
128.34724	4.2
137.05969	100.0
161.92616	3.9
179.10667	22.3
186.18495	9.1
197.11684	66.0
232.19093	11.9
322.57230	3.9
369.77686	4.7
370.92639	4.0
500.90738	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.6
57.03444	8.1
57.07043	8.8
62.06068	32.8
67.05483	14.3
69.07048	26.4
69.29605	6.6
79.05505	8.1
81.07043	17.3
83.08620	14.5
93.07031	11.0
95.08620	10.8
97.10172	9.7
121.10130	7.0
155.01015	14.5
168.32120	6.7
175.91458	7.1
265.25378	12.2
274.73254	7.3
308.29269	10.6
339.28845	100.0
451.85464	7.7
475.58057	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.24907	1.5
55.05510	16.9
55.05755	2.7
57.03430	12.0
57.07058	10.9
67.05499	17.4
69.07061	35.0
71.04972	2.6
71.08622	4.8
72.93642	1.7
79.05475	7.1
80.60593	1.7
81.07050	19.3
81.74427	1.9
83.08611	16.5
85.10156	3.3
89.93052	1.7
91.82622	1.7
93.07037	9.0
95.08598	14.3
97.06510	4.0
97.10167	12.0
100.30376	2.2
100.60876	2.0
107.08597	7.0
109.10152	5.6
110.46198	1.7
121.10142	7.3
121.82999	1.9
130.84723	2.2
133.10172	2.6
135.11688	6.0
222.68681	2.5
308.29242	5.1
339.28894	100.0
340.29376	4.5
384.50153	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	97.1
57.41933	20.4
66.02479	23.8
67.27925	18.8
70.06586	28.0
72.08136	22.6
78.46722	18.9
84.96033	36.5
85.02882	27.1
98.97581	78.0
116.98634	56.3
126.54938	24.8
140.00188	64.8
153.73103	22.0
158.01199	55.1
181.02899	51.0
200.02304	41.5
212.02373	27.8
242.03267	42.8
283.05838	34.3
284.04285	30.8
315.06857	26.0
395.06281	24.1
436.09027	100.0
486.56369	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09650	3.7
58.06588	5.8
59.61616	4.0
70.20942	4.1
70.47029	4.3
70.54987	4.1
81.07065	4.6
87.48289	4.7
91.05476	6.3
95.05022	4.1
100.11298	9.0
100.24963	5.0
105.07060	8.5
119.02000	7.1
119.08598	6.4
119.33718	4.3
124.57470	4.2
131.08655	5.0
136.02274	5.0
142.03471	5.8
143.01945	8.8
157.03543	6.9
161.02957	6.2
184.04584	9.0
210.02530	6.8
231.12926	4.5
235.09195	4.8
238.24126	5.6
238.91991	4.8
245.06291	28.0
256.11990	6.9
274.49554	5.2
275.10828	5.2
287.03473	5.4
289.05243	48.0
311.94336	5.9
316.13873	13.1
437.17841	26.0
481.16806	100.0
481.23843	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08591	3.9
55.23072	4.3
55.44628	4.1
58.06584	9.2
62.44864	4.3
62.82988	4.9
67.05492	5.1
69.03418	19.9
74.43665	5.3
81.03419	15.7
84.91786	4.3
85.02890	15.2
91.05463	11.8
97.02840	5.8
105.06961	5.1
107.08612	6.6
109.02879	14.4
109.10175	8.5
112.46852	4.8
119.08595	17.3
121.06529	16.0
121.10237	5.3
127.03883	13.1
131.08563	6.2
133.10107	8.6
145.10196	6.5
149.09653	9.7
159.08044	100.0
159.09253	9.6
177.09085	14.0
187.14763	9.4
215.14120	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83339	1.7
51.97710	1.5
53.07875	1.7
60.02699	1.8
60.08150	9.8
70.06577	3.3
71.07355	2.2
72.08161	3.0
76.21449	2.0
79.53619	2.0
86.09698	43.5
90.29322	2.0
98.98444	3.6
104.10731	4.7
125.00004	21.0
137.22807	2.1
138.09137	4.9
139.03152	2.1
142.83977	2.1
166.09773	4.7
178.33049	2.9
181.35847	2.3
184.07336	100.0
222.54912	2.4
314.10303	2.5
482.21140	4.6
508.63196	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71113	6.1
55.09441	7.3
67.95921	8.3
69.03400	14.8
69.07052	31.0
70.06555	8.4
71.78459	7.6
74.00020	7.5
84.04493	14.3
85.02888	33.9
86.09682	10.1
87.00851	8.4
93.41699	9.0
95.08599	11.5
97.02872	9.1
105.01900	11.2
107.71680	8.1
109.02902	8.3
111.11694	16.6
121.10148	26.0
127.03929	18.3
135.11691	9.8
139.11147	58.8
143.24576	7.9
155.14339	24.7
173.15295	14.5
181.12257	20.8
199.13257	100.0
211.50560	7.7
352.27811	11.3
419.79327	9.2
424.97153	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.5
55.93074	1.8
60.08154	20.0
71.07383	8.0
71.08640	2.8
86.09698	43.7
102.61155	2.9
104.10736	100.0
119.83046	2.7
124.99988	18.0
132.52942	2.9
172.65175	2.5
184.07315	73.9
241.98914	3.0
311.38577	2.6
323.45828	2.7
464.31421	5.3
482.32458	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44662	11.4
55.04160	13.7
55.05034	14.5
55.70557	17.1
56.11337	15.5
56.96555	81.7
62.32907	13.8
64.35977	16.2
69.03438	15.9
70.06572	23.6
70.13314	14.8
75.01350	13.6
78.32761	14.8
80.94405	15.3
84.96040	37.5
86.09673	25.1
91.70987	28.4
98.72678	17.0
98.97594	36.6
106.55469	17.7
116.98606	39.7
119.04984	28.1
140.00201	48.3
146.99619	17.4
147.04399	18.0
152.00249	21.3
158.01271	19.5
166.55804	15.6
170.01236	16.4
172.74142	17.4
237.02727	32.2
242.03400	51.2
260.04419	29.4
283.06030	34.3
308.63199	17.0
379.06900	23.8
403.82471	19.9
407.06427	94.8
483.08267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	99.6
57.24655	30.9
59.30684	30.7
75.84489	31.0
79.08360	32.1
84.95982	45.0
88.44860	36.2
98.97577	81.6
113.69994	35.9
116.98624	60.5
147.04437	61.2
212.02213	46.6
237.02847	43.2
239.02264	46.0
246.03903	45.4
258.31421	52.4
341.91458	44.7
483.08420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11255	1.9
56.44164	2.3
59.42015	2.2
59.80424	2.1
60.26831	2.1
63.24300	1.9
70.72346	2.2
91.71719	3.8
136.99524	2.6
174.49777	2.3
184.23137	2.9
235.11615	4.6
253.12807	5.8
258.13330	2.9
276.14505	8.7
277.12759	2.9
284.90753	2.7
397.18109	7.3
403.12640	2.7
439.19254	38.5
466.62952	2.8
483.18314	100.0
484.18466	3.2
492.27985	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18950	3.6
62.02936	4.4
71.68358	3.7
73.19826	3.6
75.40775	5.5
80.09420	4.8
81.88130	4.1
109.92168	4.4
120.08162	4.7
160.56581	4.4
163.17603	4.5
177.24976	4.8
196.85538	4.3
258.67426	4.3
258.71277	4.9
483.21979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71837	6.8
54.59433	7.0
58.52525	7.2
58.78355	7.5
59.43138	6.2
61.42855	6.8
95.08611	8.7
98.12490	7.2
105.47982	7.9
121.38115	7.2
124.74402	8.0
125.94177	8.1
130.67050	7.5
181.62956	9.4
191.99857	8.7
202.70161	7.9
346.57339	8.6
483.21912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98838	7.9
53.03923	8.6
55.05496	17.8
57.07107	7.6
61.02899	12.6
61.61341	8.6
64.46641	8.4
67.05460	11.1
67.30398	7.8
69.03416	39.2
70.06578	12.3
73.02934	11.7
81.03419	32.2
81.07047	20.4
81.59547	9.4
84.08888	9.6
85.02889	62.2
87.00802	20.8
91.05454	10.5
91.71682	19.1
97.02878	30.8
99.04448	12.1
105.01888	16.8
109.02875	48.0
127.03914	53.8
133.10107	15.1
145.04971	20.8
149.09633	15.2
159.02847	24.6
161.09579	25.2
163.11180	18.7
217.15846	100.0
225.71222	13.1
228.70772	9.9
483.22928	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05072	3.6
55.01869	4.1
55.05253	5.8
55.05500	73.5
57.07069	67.2
60.68481	3.9
65.75764	3.8
66.35632	3.7
67.05497	35.4
69.03403	11.4
69.07050	22.4
71.08624	44.5
75.39864	3.9
77.09561	3.5
79.05492	10.6
81.07050	47.5
83.08605	56.1
85.10163	30.7
91.65766	3.7
95.08604	44.6
97.10161	100.0
101.09615	4.3
107.08592	21.6
109.10155	18.5
116.71590	4.2
123.11666	5.6
125.09615	75.0
135.08034	6.7
165.27296	4.7
171.10193	10.2
189.11163	50.3
202.09195	4.3
206.13907	4.7
227.12747	28.9
239.23657	6.7
244.45512	5.2
418.08478	4.4
483.36819	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92066	5.4
51.52297	4.5
53.42807	5.4
57.03449	10.3
60.08150	5.5
69.03444	21.2
70.06593	18.7
78.00338	6.4
81.03420	33.8
85.02915	8.2
86.09705	13.5
98.88615	6.1
99.04496	14.2
106.82497	6.2
114.65903	6.0
139.89073	6.0
159.06525	9.0
163.07414	14.6
177.09094	18.8
178.09772	100.0
184.07397	13.2
190.09891	7.8
202.09760	16.2
214.09801	14.9
261.90970	6.8
282.78049	6.8
298.34680	6.9
336.15555	8.0
396.17471	36.0
440.16827	27.2
484.15353	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16048	1.4
52.75791	1.4
55.05526	1.7
60.08149	8.2
69.03415	1.7
70.06582	6.0
71.07356	2.8
71.20033	1.5
81.03407	3.6
84.08074	1.7
86.09701	42.3
90.44000	1.9
91.71027	1.7
99.04472	3.5
99.80466	1.8
104.05695	1.7
104.10724	5.9
124.99995	22.1
130.18994	1.7
132.31003	2.0
144.09172	1.8
157.74379	1.9
178.09770	7.1
184.07335	100.0
297.61926	1.9
325.33829	2.0
396.17947	3.2
440.16525	4.6
484.22589	4.5
498.18005	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08135	17.2
70.06577	27.7
71.07361	14.4
86.09692	64.9
99.42687	9.8
104.10732	100.0
121.10104	12.3
125.00022	23.6
134.67981	10.5
137.04257	9.5
178.09779	15.3
184.07333	84.0
245.99138	12.0
484.22858	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92489	13.1
67.05499	16.4
75.64664	14.4
79.05474	14.7
81.07028	17.8
81.21341	16.2
87.90251	14.9
91.05488	54.5
95.04943	19.4
105.07025	100.0
107.08573	24.5
117.07000	23.6
119.08564	34.7
121.10144	38.9
128.03409	19.7
128.06192	30.3
131.08594	26.3
133.10179	34.6
138.01904	27.5
143.08578	32.0
145.10161	50.7
157.10173	19.8
171.11758	23.3
199.14861	28.3
209.13628	16.0
218.31317	19.9
242.46153	17.0
254.10370	27.2
312.13828	18.4
316.77802	19.0
508.65375	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32734	48.9
62.26601	43.5
66.12358	53.4
70.79937	49.1
86.11829	56.1
87.28239	55.7
91.05510	83.6
91.20322	58.1
105.07034	100.0
109.01657	60.9
131.08524	53.3
169.10225	59.1
173.13350	72.5
184.86465	53.4
226.01903	57.2
270.13492	64.2
293.54257	60.8
340.93839	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80383	69.0
77.84861	80.5
81.07037	99.0
176.07103	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30149	33.7
64.59333	31.6
79.05488	43.2
81.07056	44.4
91.05482	69.8
91.71687	40.2
95.04961	99.6
95.08624	58.5
105.07038	100.0
114.01929	49.6
119.08617	89.1
129.07005	45.5
133.10147	51.2
143.08582	90.0
145.10138	63.9
157.10197	52.2
171.11731	44.7
178.05031	54.8
186.28017	49.9
187.84494	42.5
188.05542	47.4
199.14810	69.8
204.06578	48.4
252.08693	98.1
254.10245	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25592	2.8
69.03419	7.3
70.06584	8.3
71.06816	2.9
79.11204	3.2
81.03411	11.8
85.02891	13.7
87.00823	4.8
91.05469	12.0
95.03275	2.9
97.02908	6.9
105.01859	3.5
109.02830	6.0
119.04933	28.7
127.03947	11.4
138.73172	3.2
147.04402	100.0
151.44223	4.0
159.02965	3.4
159.28911	3.7
161.53223	3.2
216.99104	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27814	7.6
53.67678	8.5
56.05018	12.3
57.07061	14.3
63.04377	9.0
63.67954	9.0
64.99305	8.1
68.05022	29.9
84.04498	100.0
86.00665	12.4
88.02211	70.0
88.03981	29.9
114.05523	41.2
118.40906	9.4
122.02700	17.3
130.04990	27.6
132.01131	37.0
134.02725	66.7
142.05020	19.6
171.07626	22.3
217.08258	20.9
219.17517	11.6
263.06967	40.3
338.17975	61.7
471.81836	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38837	24.5
55.06377	24.1
63.15058	25.0
67.27791	27.6
71.56421	28.9
76.90405	28.6
84.04506	44.0
99.39380	26.9
102.42960	32.7
108.84032	26.2
134.19914	28.6
149.46260	41.0
225.13112	100.0
267.14105	56.0
323.49625	34.2
356.18811	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50946	12.1
76.02213	19.0
84.04498	72.2
86.17190	13.1
122.02691	100.0
130.04982	27.4
142.03218	14.7
165.35902	15.1
165.66078	13.6
179.10727	31.6
211.07907	22.6
251.07013	26.9
300.12537	70.8
308.63745	14.8
328.95782	15.0
339.84271	15.9
356.18909	49.7
472.50311	18.2
503.34885	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81178	22.6
84.04493	67.7
86.09701	51.5
91.29607	25.7
97.02936	27.0
122.02731	48.3
130.04980	31.9
136.07512	23.6
141.99724	24.7
182.96796	32.3
251.06889	29.8
288.10889	27.3
300.12585	100.0
356.18918	66.1
507.23346	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04562	1.0
51.10221	1.0
54.72890	1.1
58.73517	1.0
59.83806	1.0
66.73603	1.2
67.21224	1.4
70.06606	1.4
74.00660	1.5
84.04497	22.7
92.01714	1.8
95.08566	1.3
105.06986	2.0
106.49954	1.4
109.84792	1.3
119.08607	2.0
120.01173	2.7
120.99540	10.4
121.10113	3.4
130.04996	13.5
133.10139	2.3
138.02182	22.4
138.03018	1.8
141.85075	1.3
161.13208	2.3
179.08110	1.4
203.14287	22.3
219.17418	100.0
249.05360	3.5
267.06445	35.3
290.59473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2891
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
50.33200	4.0
52.18605	4.4
55.05507	7.3
57.03429	8.5
57.07068	42.7
67.05499	15.6
69.07063	6.1
71.08627	30.4
78.49878	5.1
81.07069	8.9
82.12762	5.1
83.08605	7.9
85.10178	14.1
90.00806	5.2
92.98632	5.9
95.08595	15.1
97.10136	6.5
98.98472	27.1
108.37099	6.1
109.10172	7.6
124.31260	5.5
155.01041	13.1
185.10309	6.0
247.04169	5.3
252.01407	5.3
313.27353	100.0
449.26599	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05488	6.5
55.94040	1.3
57.03428	12.5
57.06800	2.4
57.07068	45.1
67.05497	8.5
68.17340	1.9
69.07044	8.4
71.08622	25.1
81.07033	12.3
83.08620	6.1
85.10181	15.6
85.10632	2.4
89.06004	4.1
90.50526	1.5
95.08600	14.7
95.80642	1.6
97.10172	3.1
98.98441	4.7
100.22332	1.6
106.52323	1.5
109.10165	7.3
120.51298	1.6
123.11694	1.7
133.64320	1.7
153.31862	1.9
155.01056	2.5
162.25009	1.7
184.07375	2.7
200.16388	1.9
202.92393	1.9
294.62332	1.8
298.27725	2.2
313.27332	100.0
444.82251	2.3
449.17560	2.2
464.52332	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.2
61.01139	11.1
63.82328	4.3
63.86385	4.9
69.07037	29.0
78.81215	5.0
83.49468	4.9
91.05479	5.7
91.71653	10.5
115.85738	4.7
117.94231	5.2
119.08556	70.4
119.37206	5.6
124.57897	5.5
125.59447	6.7
135.08044	100.0
135.08932	7.0
149.08211	6.4
159.12070	9.8
177.09088	99.7
179.10672	43.5
218.56950	5.7
276.02515	6.1
409.65271	7.0
486.23355	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	3.0
57.07579	0.9
59.82973	1.0
63.23445	0.9
84.04495	100.0
85.02879	2.7
92.32815	1.0
95.01321	1.8
102.05532	28.7
130.04997	42.6
131.05316	1.4
132.65625	1.3
147.07722	2.6
148.06039	90.3
156.65852	1.3
177.71684	1.5
223.70255	1.4
260.79175	1.4
267.23456	1.5
344.76428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96044	1.1
58.20793	1.1
61.80617	1.0
67.58925	0.9
70.06584	100.0
72.08159	5.5
83.58434	1.1
86.09697	19.6
112.08729	1.2
123.33755	1.2
127.08725	5.2
155.08145	8.1
171.30406	1.3
175.11890	1.8
199.18161	3.1
242.11469	3.1
260.12399	38.9
486.34131	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	84.7
92.00839	9.4
97.35474	10.6
186.05984	11.9
198.04256	18.9
210.04341	13.9
299.07956	20.7
304.08591	100.0
322.09433	24.7
345.11234	18.6
487.16364	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	26.1
61.93320	7.0
67.05234	8.0
67.05500	83.5
69.07053	17.2
72.08147	33.1
79.05491	48.6
81.03430	8.7
81.07044	100.0
83.08610	13.2
91.05464	46.0
91.49861	9.5
93.07034	67.7
94.41795	8.4
95.08588	51.8
98.90845	8.2
105.07020	25.6
107.08572	52.9
109.10137	26.3
117.07027	14.4
119.08561	21.1
121.10153	33.1
123.11638	12.1
131.08578	24.2
133.10129	18.7
135.11679	46.7
142.80962	10.7
145.10138	16.4
147.11667	14.6
149.13313	18.0
159.11711	14.6
173.13231	19.9
215.17886	48.0
233.19066	42.0
244.82095	10.9
324.85324	9.6
328.49362	10.1
439.78262	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15533	5.2
57.07070	34.9
57.43195	5.1
69.03415	11.9
81.03403	9.5
83.75348	5.9
85.02883	29.9
95.43679	6.9
105.01838	12.2
109.02832	8.5
109.74542	7.5
112.37932	6.0
127.03922	11.5
163.11148	16.8
205.15843	100.0
278.59573	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	7.9
57.07073	4.0
67.89849	3.8
69.06692	5.0
69.07059	100.0
70.06580	5.7
72.08163	5.3
76.31382	3.7
85.02911	22.0
86.09699	15.8
93.88345	4.5
94.76770	4.6
111.11720	32.3
114.82033	5.1
129.12749	32.4
147.13809	36.8
150.77705	4.3
191.95497	4.8
204.20151	4.6
222.98116	4.6
240.28188	4.9
305.30966	4.8
351.37888	5.0
443.14212	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73137	3.2
57.06800	6.1
57.07067	94.2
58.52104	3.6
73.64941	3.7
83.04910	3.6
86.09732	4.7
87.04465	8.0
89.06023	100.0
90.38844	4.4
91.05466	14.0
93.07039	17.7
94.42688	4.3
95.04962	10.0
95.64519	4.7
97.69829	3.6
121.06497	60.4
130.08670	19.6
133.08594	50.2
147.08046	18.1
150.06773	6.2
165.09094	27.8
165.24899	4.5
177.11284	12.4
205.46198	4.1
209.11752	10.1
227.97801	4.9
233.19048	15.6
271.15598	7.7
277.21515	25.5
315.18021	5.8
340.61948	5.6
359.20633	60.2
436.81787	5.6
471.33337	20.6
471.39813	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	4.1
57.03415	7.3
57.07068	25.1
57.51837	2.6
63.09969	2.9
66.34322	3.0
67.05496	18.2
71.08620	12.8
81.07051	5.1
82.91075	3.1
85.10168	5.5
90.72855	3.1
90.83675	3.4
91.71711	8.2
93.07011	5.6
95.08597	100.0
106.30104	4.1
112.12685	3.1
122.49348	3.3
123.08108	4.3
128.25104	3.9
159.10178	15.7
185.35403	3.9
190.32130	3.4
215.12785	40.9
250.70523	3.9
313.27328	42.4
339.99783	4.3
416.20175	4.0
419.17117	4.7
453.35818	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99104	23.2
56.02103	23.9
56.96548	44.4
59.84512	20.9
67.00430	20.7
70.57121	22.8
79.07753	22.3
83.92043	23.2
97.47094	26.1
112.53135	29.0
194.95833	26.9
241.11105	30.5
264.12729	31.4
282.13803	41.0
290.47607	29.2
305.15359	38.3
445.17450	100.0
509.61334	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77118	27.7
60.04517	83.5
60.30981	26.8
62.14787	26.8
69.07082	33.5
81.07058	37.8
82.49951	30.6
84.04525	100.0
91.72983	31.0
100.95308	32.2
102.05621	34.3
102.19961	33.1
120.25495	31.5
126.64536	32.9
130.04973	35.3
131.06665	31.6
296.22342	48.6
405.98077	42.7
443.15247	38.9
512.08813	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68719	3.2
55.05500	14.8
57.03416	9.4
57.07063	11.0
58.72774	4.3
61.02912	4.6
64.85954	3.9
65.03918	4.7
67.05496	96.8
69.07053	26.0
79.05495	26.4
79.98925	4.5
80.67303	4.6
81.07049	100.0
82.74860	3.9
83.08595	12.2
85.06521	9.7
86.31493	4.0
91.05471	20.8
93.07047	24.2
95.08599	78.9
96.24837	3.9
97.06548	6.7
97.10208	6.9
99.08091	7.1
99.17803	4.5
101.10553	4.2
105.07015	9.9
107.08585	12.3
109.10119	21.9
111.11655	5.0
119.08582	18.4
121.10149	20.8
123.11721	14.5
127.11243	5.3
133.10106	22.5
135.11697	17.0
137.13260	13.5
147.11703	9.5
149.13202	6.6
151.14836	9.1
161.13271	16.7
217.19464	49.6
232.89949	4.8
235.20482	42.0
309.24100	26.1
492.97272	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29346	15.4
55.05515	23.1
59.32668	22.7
59.63652	19.0
62.69614	16.4
63.01130	17.8
67.05486	74.3
67.42935	19.8
69.07044	19.1
81.07049	68.7
91.05444	44.9
93.07032	55.1
95.08591	41.6
96.82570	20.2
105.07050	52.8
107.08595	42.9
109.10168	24.8
116.51551	20.6
119.08582	41.3
133.10123	32.5
145.10135	32.5
181.10046	25.2
269.37820	25.1
328.99258	26.6
398.37564	31.8
489.35873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.39
Annotation	Batzelladine C
Peak:m/z	Relative Intensity
51.27202	9.4
57.07069	14.9
60.08162	12.0
63.10181	13.3
67.05521	14.1
70.06589	100.0
71.04976	29.2
76.18680	12.4
77.98032	11.0
81.07032	17.0
105.38322	13.3
114.43201	12.5
116.07066	45.1
357.13412	14.8
489.38907	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	4.5
74.38103	1.1
74.44213	1.2
84.04494	100.0
85.02886	3.2
102.05536	33.2
106.06087	1.2
107.35245	1.3
130.04993	37.7
147.07681	1.6
148.06036	87.2
177.69666	1.4
198.68880	1.3
487.22150	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52257	16.9
54.44952	18.2
55.01883	22.0
60.55884	16.3
66.09642	19.1
67.05508	39.7
69.10254	18.8
75.36665	18.2
79.07324	19.2
81.03402	23.9
85.02896	57.2
91.05499	44.7
95.04952	40.4
95.08578	53.1
97.02874	29.8
105.03404	47.5
107.04965	93.7
114.31016	23.9
119.08578	53.9
127.03928	39.8
133.10100	43.1
149.13272	21.6
161.09618	100.0
171.08125	22.9
189.09077	72.5
207.10059	50.0
225.11174	33.3
284.96384	29.3
344.95660	24.5
351.74384	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19511	1.1
55.01856	1.4
57.03416	1.2
61.02943	1.2
63.07067	0.9
67.05502	2.1
69.03415	5.5
78.75694	1.0
79.05466	1.4
81.03410	3.4
81.07047	5.5
85.02894	31.7
87.00814	3.4
91.05465	3.5
93.07021	1.4
95.08614	1.7
95.29799	1.2
97.02898	5.2
99.04453	2.5
102.98496	1.2
105.01864	1.7
105.07033	9.1
107.08585	3.0
109.02926	2.0
109.06539	1.4
109.10158	2.5
117.01801	1.6
117.07066	2.7
119.08569	14.0
121.10140	1.5
123.11703	20.4
124.70410	1.1
125.06001	1.3
127.03915	4.8
129.06961	1.8
130.07811	1.9
131.08588	3.1
133.06497	5.6
145.10103	14.5
147.08032	3.4
147.11681	26.4
149.09573	1.3
156.09357	2.8
171.11700	4.4
174.10460	1.9
189.12732	100.0
207.13786	20.1
218.84915	1.2
225.14766	6.6
229.34270	1.5
249.41211	1.2
377.88107	1.6
423.57053	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18594	8.3
55.01871	8.2
55.05503	62.1
55.32866	7.6
57.03432	9.4
57.07064	29.1
67.05499	93.9
67.11782	9.1
67.46432	7.7
69.07068	67.4
71.04969	11.7
71.08614	11.2
71.79997	8.6
74.17686	8.2
78.44404	10.6
79.05486	27.3
80.79510	9.3
81.07050	100.0
83.08607	80.0
93.07024	54.4
95.08589	76.5
97.10174	28.8
107.08632	33.7
109.10172	25.8
111.08106	17.3
117.10861	11.0
121.10149	67.1
123.02623	8.8
123.11690	11.2
135.11684	43.5
137.13290	18.2
149.13232	18.3
184.07358	11.4
219.21019	47.4
237.22072	90.2
311.25928	56.2
321.51227	15.6
491.29785	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62330	12.9
60.08150	27.9
70.06599	98.6
71.04974	26.0
72.93340	13.6
107.08622	21.9
116.07106	37.3
227.51793	20.5
295.80280	19.6
435.63220	18.5
491.33276	100.0
494.09976	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.01860	9.5
55.05478	6.0
56.55060	6.7
57.03433	7.4
61.02908	7.6
64.71226	5.7
67.05500	10.3
69.03413	26.6
69.07030	7.9
71.04974	9.2
71.08605	6.8
73.02941	6.7
76.02184	8.5
79.05497	9.8
81.03403	37.0
81.07056	6.8
81.54285	5.8
84.04496	10.6
85.02898	72.4
86.09705	16.5
87.00819	20.4
91.71593	6.8
91.91312	7.1
93.07040	23.2
97.02866	41.8
97.06583	7.0
99.04440	45.4
101.06025	9.1
105.01876	22.6
105.07036	24.1
107.08570	46.0
109.02892	38.5
117.01846	9.2
121.06516	8.8
121.10137	31.9
127.03896	46.9
129.01857	6.5
135.11694	12.4
145.05000	21.3
145.10141	27.4
156.18114	6.9
159.02863	13.0
163.11165	85.7
170.01151	7.1
173.09659	13.9
181.12233	23.2
191.10675	81.5
209.11673	46.4
227.12782	100.0
244.15395	8.5
348.53342	7.7
492.29562	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13155	11.1
60.06093	12.4
63.95881	10.9
66.70383	11.1
67.05447	10.6
81.07047	29.3
88.02789	12.7
90.76447	12.2
92.29944	12.9
100.71815	11.1
116.50821	14.8
128.25168	13.8
137.05969	100.0
148.13710	11.3
182.66920	11.9
207.49052	13.2
231.17458	16.0
277.18048	22.9
351.21594	36.9
391.90967	15.0
490.54495	15.5
492.30151	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28808	7.6
52.87733	7.4
66.88083	10.5
69.03407	25.7
70.06583	12.9
71.04946	9.8
72.08157	9.9
79.05466	10.3
81.03410	14.0
81.07094	10.8
84.04502	8.7
85.02882	64.2
87.00839	13.4
91.05476	11.9
92.57521	9.8
93.07029	14.1
95.04963	29.9
97.02882	27.5
97.06504	18.0
105.01878	21.5
105.07023	24.7
106.07831	9.6
107.08585	24.0
109.02863	19.4
109.06498	44.1
109.10172	11.1
119.08622	14.8
121.10178	28.8
127.03896	27.9
131.08559	12.2
133.10126	63.6
147.11665	40.8
153.09047	18.5
173.13264	24.1
191.14297	45.7
209.15306	76.1
219.86205	11.1
227.16412	100.0
248.00981	9.7
280.89902	11.1
311.43268	11.3
394.40942	12.2
422.93494	11.0
447.72983	10.6
447.92627	10.7
492.30014	21.0
518.66431	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.94468	22.5
68.43142	21.4
69.03423	30.9
72.08147	37.7
75.75674	25.8
81.03423	30.3
85.02900	61.8
86.09721	32.7
105.07037	28.6
109.04041	27.2
121.36282	29.6
123.72208	31.7
125.84097	25.1
133.10095	73.8
144.05089	26.4
158.76584	27.8
159.97437	30.1
191.14345	34.3
209.15425	73.9
227.16371	100.0
356.04779	32.4
369.60864	31.0
381.07562	37.9
492.30374	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.2
67.05508	1.2
79.05471	1.5
83.08638	1.0
91.05470	100.0
91.70966	1.8
103.10361	1.0
105.07030	3.9
106.06572	2.1
106.07809	8.9
110.23997	1.2
122.90731	1.0
125.66433	1.0
133.06503	3.0
134.07263	34.4
135.08044	1.0
151.07535	1.2
162.09140	1.2
165.07002	1.5
166.07718	2.1
172.65823	0.9
181.10112	9.7
192.71626	1.1
196.11436	1.5
198.12766	15.3
216.92365	0.9
226.05370	1.1
228.36679	1.1
238.12215	8.3
330.18478	52.4
331.19177	9.9
471.74741	1.0
492.29926	1.3
501.72125	1.3
502.48740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10105	2.5
52.77806	2.7
56.08215	2.6
56.89373	2.6
57.07078	7.0
69.07072	14.5
69.31291	2.6
70.64187	3.5
79.05515	9.2
87.02690	4.3
91.05471	90.9
92.70891	3.1
103.05505	7.5
105.07021	64.5
106.06594	4.2
106.07820	5.3
113.48187	3.5
121.06556	4.1
133.06487	52.8
134.07294	29.7
135.08046	92.1
143.08893	4.5
151.07596	16.7
165.03694	47.7
165.04880	3.7
167.05347	9.1
179.05345	12.7
181.10156	3.7
198.12764	57.0
229.16255	4.4
234.43777	3.9
277.16226	30.2
295.17264	100.0
296.17355	4.1
431.53778	3.8
446.64249	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57645	3.2
60.08157	7.5
60.94962	3.0
66.90018	3.3
67.05508	3.8
69.46143	3.1
71.07393	3.2
86.09693	40.3
118.63865	3.7
119.73669	3.9
125.00038	14.3
146.80080	3.4
153.32718	3.9
172.97766	3.9
184.07332	100.0
240.19801	4.2
268.43890	4.2
269.68634	3.7
438.97931	3.9
492.30350	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	10.9
71.07356	6.5
86.09685	32.5
95.08572	3.7
102.11096	3.4
120.80350	3.3
121.80859	3.6
122.82702	3.8
124.99998	16.0
136.38126	3.3
141.94908	4.3
142.24539	4.8
184.07332	100.0
263.95810	5.3
299.91293	5.1
435.11279	4.8
492.30380	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.168
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04481	9.7
91.71628	6.7
94.32343	5.1
121.06548	7.8
129.24945	5.6
173.05722	10.6
229.08357	12.7
245.11542	10.3
255.42551	5.8
377.73257	7.1
417.15198	6.6
449.17953	21.3
455.86163	6.5
493.16681	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42616	14.4
65.00648	13.6
70.06583	100.0
72.08133	20.7
73.44845	12.3
82.47521	14.6
84.04505	92.9
85.02885	27.2
88.65601	16.6
110.07214	15.6
115.28656	19.0
120.08103	31.1
122.02715	81.9
130.05006	50.7
136.07635	16.3
141.97574	14.9
215.11800	19.5
243.11299	20.9
251.07007	79.6
500.17719	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07042	1.7
72.41007	1.6
81.07048	1.9
83.01064	2.7
89.15091	1.5
91.05460	3.4
96.35479	1.6
105.06963	2.1
107.76184	1.7
118.62920	1.5
127.03663	2.4
135.08034	2.3
155.06758	2.3
171.06372	2.7
244.01932	1.9
260.92361	1.8
265.70496	2.0
309.34116	2.1
493.31290	100.0
494.31821	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.6
55.35767	3.4
57.03434	9.7
57.07069	77.0
67.05496	18.9
67.80125	3.3
69.07074	14.2
71.08620	53.4
71.08968	4.7
80.54983	3.2
81.07038	25.0
83.08604	25.1
85.02971	4.6
85.06583	3.6
85.10168	27.9
85.49805	3.8
95.08606	40.8
97.10197	6.7
103.42543	3.9
109.10145	22.3
123.11748	7.8
137.13312	4.5
221.82799	5.1
233.54720	4.2
239.23639	30.4
277.54596	4.2
298.27612	8.0
313.27328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73331	2.6
51.83314	2.3
51.83582	2.0
54.52118	2.0
55.05491	10.9
57.03415	10.8
57.07068	90.9
57.74088	2.5
58.60603	2.2
61.26774	1.9
61.37324	2.4
67.05492	24.6
69.07069	17.2
71.08244	4.8
71.08621	63.1
75.04453	6.0
77.48962	2.5
79.05489	4.1
81.07052	38.7
83.08610	23.7
85.02869	3.0
85.10181	28.8
95.08037	4.6
95.08604	49.0
97.10155	13.1
99.11712	2.7
102.06237	2.9
109.10147	24.4
111.11770	3.7
123.11732	9.5
137.13231	5.4
188.84087	3.1
230.97964	3.1
239.23712	28.8
239.52588	3.5
257.24829	3.3
266.58673	3.1
298.27277	5.0
300.63306	3.4
313.27319	100.0
333.50070	3.8
339.29346	3.7
446.73270	3.2
470.60318	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	40.5
55.89378	30.1
57.07083	53.5
60.60614	29.7
67.05507	100.0
71.08651	47.9
74.18342	32.9
78.41956	45.0
79.04344	31.7
81.07044	70.7
91.70980	82.3
93.07092	54.7
116.18824	42.7
121.10131	36.7
130.02536	37.0
132.54271	44.2
188.84483	38.0
212.64636	49.6
264.99142	40.8
298.16852	56.6
412.45920	46.2
493.39053	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64460	28.5
70.06544	33.6
71.14155	29.6
72.37843	27.4
75.59924	26.3
77.80675	29.2
91.71541	47.3
100.11262	35.7
101.91261	31.2
130.63387	29.3
144.55394	30.7
165.02295	32.8
208.05789	64.0
240.19057	39.6
396.19888	100.0
412.45880	41.4
466.15332	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46581	1.6
53.03908	1.8
55.01845	1.9
57.03421	4.5
58.41038	1.5
61.02907	7.4
66.70118	2.0
69.03413	14.5
73.02895	3.9
75.56877	1.9
81.03392	7.6
85.02894	100.0
87.04456	3.3
91.03948	4.7
91.70995	3.0
92.65290	2.0
96.49390	2.0
96.52277	1.9
97.02885	27.9
99.04452	2.4
107.04955	21.4
109.02850	6.4
111.79680	1.9
127.03902	22.1
129.59067	1.8
134.53746	2.4
145.04953	33.6
153.05455	8.9
163.06001	11.2
171.91179	1.9
173.05998	4.7
194.08105	3.4
219.06544	8.6
250.78624	2.0
325.11264	2.7
454.81339	2.2
485.51083	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85297	6.2
54.33731	6.0
61.02916	6.8
69.03419	19.9
69.88635	6.9
77.43853	6.9
81.03385	7.2
85.02898	100.0
90.38617	6.6
97.02901	15.7
107.04965	30.4
109.02808	8.2
127.03896	23.1
134.64830	7.1
145.04950	29.5
147.04559	7.5
163.06042	13.9
173.05992	10.6
177.05135	8.1
187.93201	8.1
219.06508	9.2
314.04538	7.7
398.11960	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22072	4.8
55.01859	8.0
55.05507	6.6
57.90919	5.8
58.99555	6.2
67.05494	16.3
69.03439	11.7
69.07096	5.6
70.06571	17.1
75.46370	5.0
76.02214	21.4
79.05470	17.2
81.03422	6.0
81.07050	24.9
81.52815	5.5
83.04979	7.4
84.04486	13.2
85.02893	24.5
86.09675	7.5
86.99036	7.0
91.05476	40.1
93.07033	26.2
105.00076	7.3
105.07022	84.2
107.08658	6.8
119.08561	31.6
121.10133	29.9
122.02728	100.0
129.07007	17.2
131.08577	73.0
133.10141	56.1
135.11601	7.2
145.10136	12.7
147.11729	20.6
157.10115	16.8
163.11281	8.7
175.11171	59.8
181.12172	12.9
185.78250	6.7
188.03758	5.8
193.12218	52.3
240.04579	7.2
251.07103	10.2
269.19330	6.9
284.08224	8.4
332.15210	47.9
348.52087	7.3
383.41882	6.5
383.61691	6.9
416.90268	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92225	11.0
54.40384	9.1
57.48236	10.9
62.14328	11.0
68.33380	11.0
69.03413	17.4
81.03426	20.2
81.07025	15.6
84.04525	12.3
84.89697	14.8
85.02900	47.0
93.07076	11.6
97.02887	21.2
105.07030	25.3
109.02914	30.8
109.10117	16.1
121.10145	21.2
121.59318	13.4
123.11671	35.2
127.03963	31.3
147.11699	58.5
154.87444	13.4
165.12723	100.0
183.13811	24.7
184.07303	12.9
193.12265	17.2
211.13300	16.9
229.14345	80.4
245.68179	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56535	2.0
55.05493	2.5
57.44144	1.8
60.08144	6.7
67.05486	4.2
71.07353	2.9
71.34241	1.9
86.09698	42.5
95.08611	2.5
98.98433	3.8
124.99998	25.2
131.60774	2.2
149.02361	2.4
155.16241	2.4
184.07323	100.0
219.31906	2.3
237.07587	3.3
295.46878	2.7
435.89789	2.7
494.34521	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.7
58.06591	0.6
60.08154	10.7
61.54649	0.6
69.07050	1.2
69.08144	0.5
70.26171	0.8
71.07369	3.6
77.21647	0.7
86.09696	44.3
92.56281	0.6
98.98452	2.7
104.10748	3.3
124.99995	25.1
184.07332	100.0
185.07785	0.8
194.59842	0.7
226.10550	0.7
310.32144	0.7
328.76459	0.7
494.32672	1.0
517.55127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38078	2.9
60.08163	20.8
71.07348	7.9
75.41060	3.5
86.09700	51.1
98.98420	3.9
104.10735	100.0
116.12516	3.8
121.38880	3.7
124.99986	24.7
139.44710	3.8
162.43001	3.8
184.07315	72.4
233.00926	4.1
233.03790	4.6
494.32440	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.324
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	25.0
71.07368	9.7
73.51643	7.2
85.37494	7.7
86.09686	57.6
92.68693	8.5
104.10745	100.0
124.99998	14.1
154.63177	7.7
156.78485	7.8
174.49165	10.4
184.07350	61.4
202.58667	8.3
406.32184	9.0
430.87500	9.7
494.31860	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1263
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
60.40762	8.0
64.72310	9.1
141.43054	11.1
178.84084	10.4
317.17838	10.9
495.12589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	100.0
57.20550	25.2
58.17104	22.6
60.89435	31.8
89.81179	36.3
98.97591	68.2
140.00253	57.1
181.02960	42.2
203.08047	36.2
233.28084	34.8
262.09109	36.2
289.11191	68.9
304.19022	32.5
330.13809	40.6
495.16425	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1841
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
54.61840	1.6
59.54618	1.8
66.42276	1.7
70.06586	2.6
71.31654	2.0
72.86330	1.6
74.06917	1.7
75.68359	1.7
81.84592	2.4
93.22392	2.0
160.65950	2.0
232.16327	2.8
241.05336	2.3
247.13135	5.8
289.05362	5.7
380.92920	2.5
409.18176	12.2
433.18103	4.3
451.19186	19.9
458.40268	2.5
477.17038	5.2
495.18301	100.0
496.19159	3.4
496.64484	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16521	0.4
54.62134	0.4
56.05028	0.8
57.03419	0.4
57.07062	0.9
58.06616	0.5
60.08159	7.9
66.53584	0.3
67.05499	0.5
70.99704	0.4
71.07358	4.3
71.08614	0.5
80.22018	0.4
86.09699	43.0
95.08601	0.5
98.98453	2.8
104.10726	4.2
124.99994	22.5
137.75406	0.4
166.02603	1.2
184.07335	100.0
185.07494	0.6
187.79562	0.4
478.18002	0.5
478.32428	0.9
496.34183	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77539	2.3
52.63702	2.0
57.07057	2.2
58.06599	3.1
60.08148	18.6
66.12083	1.9
71.07361	5.2
71.08604	2.9
79.72640	2.3
81.61881	2.9
81.94978	2.6
85.00387	2.5
86.09696	52.1
98.98428	3.6
104.10732	100.0
108.23669	3.2
124.99991	25.5
125.54591	2.6
184.07329	72.4
185.49994	2.6
250.94322	3.0
496.33807	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10294	7.2
56.96561	11.5
57.03416	10.1
58.06600	52.2
59.07366	13.7
59.63361	7.1
60.08152	15.1
67.05466	9.7
71.73703	8.1
86.09709	10.5
91.71673	9.9
107.08433	9.1
109.72908	10.9
162.11174	11.9
167.68336	8.8
175.95648	10.7
184.07242	13.3
195.96933	11.4
228.62103	12.1
236.14893	100.0
239.79433	11.5
417.49448	10.9
455.31268	20.0
478.35175	22.5
479.18436	15.1
496.36172	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.7
53.19000	3.5
55.05493	5.9
57.03421	6.0
58.06316	4.3
58.06593	64.1
59.07367	13.2
60.05638	5.3
60.08148	21.2
61.02918	3.6
66.07703	3.3
67.05486	20.6
69.03428	4.4
72.48988	3.6
73.58661	3.6
74.62384	3.8
79.05476	7.3
81.07049	17.8
83.08675	4.2
85.02897	12.0
85.71640	3.8
87.04435	5.1
91.05473	8.4
93.07026	14.5
93.34784	4.1
95.08604	8.8
97.02867	3.9
99.04433	4.4
102.24144	3.9
131.07088	5.9
136.07224	4.0
144.10185	12.5
150.28764	4.7
172.95236	13.7
177.95679	5.6
184.55458	4.8
195.96724	5.4
209.90154	4.1
218.98463	7.8
222.99069	5.0
236.14891	100.0
236.21486	4.2
266.37195	4.3
343.19315	6.2
446.73914	5.1
478.35440	16.9
479.18918	12.5
496.36349	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36678	14.0
56.96544	42.6
58.55673	13.5
69.03438	24.0
69.07015	15.5
70.06563	13.9
71.53638	14.2
85.02867	44.6
85.06542	43.3
86.09692	20.8
91.10095	20.6
105.06993	26.1
109.06564	18.3
110.42236	17.0
121.10168	24.8
127.03970	20.2
137.09579	22.5
140.00166	23.7
151.11205	35.3
231.17448	53.1
249.08006	57.5
272.09604	100.0
275.05688	18.3
290.10538	24.3
291.09290	23.3
332.11511	26.7
333.09991	51.0
366.07123	23.1
388.26968	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45340	8.3
61.83902	10.5
61.84243	9.6
68.57700	9.9
78.15110	9.7
86.09662	12.6
87.93006	9.3
89.89828	9.7
118.07609	13.8
120.08094	75.1
174.13132	11.9
238.22491	11.5
249.10931	100.0
267.15164	18.8
275.45670	11.3
277.67621	11.6
302.97412	14.6
318.46011	14.6
497.16418	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	36.9
68.05119	5.4
68.84852	7.9
70.06590	8.5
85.06540	9.2
91.70935	6.8
98.97578	84.5
103.64996	7.6
116.98611	35.5
123.10957	8.0
133.10304	7.4
140.00200	56.9
152.00253	9.4
158.01323	17.5
158.99693	16.9
175.02853	9.7
177.00816	8.6
181.02858	17.7
198.04601	14.7
200.02409	27.2
231.34232	7.4
237.02751	12.7
242.03255	11.8
260.04428	10.4
265.57440	7.4
267.12872	16.2
290.14288	12.5
291.12656	96.4
308.15533	16.5
309.14044	14.7
332.15408	37.8
360.53549	9.8
411.16824	100.0
429.17972	19.7
453.17984	75.8
497.18033	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05231	43.9
53.66763	44.8
62.45368	46.8
68.61536	51.1
69.03417	85.6
86.09700	85.6
88.66743	62.7
105.07030	100.0
199.70772	68.3
215.71391	67.7
224.18361	67.8
231.17548	73.7
237.22977	69.5
239.27426	68.6
277.85770	70.2
378.71121	73.0
428.97864	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.8
55.05500	24.2
56.71183	8.6
57.03429	31.3
61.02916	65.1
67.05497	86.7
69.03415	49.3
69.07066	31.6
71.04995	11.0
73.02896	29.2
76.41963	9.5
79.05481	46.8
81.03409	31.3
81.07043	100.0
83.08625	12.0
85.02900	83.6
85.71996	9.5
91.03945	40.7
91.05480	64.4
93.07037	97.8
95.04967	18.5
95.08607	73.7
97.02898	61.4
101.02380	12.1
105.07010	33.3
107.08577	35.3
112.25872	9.6
119.08596	15.5
121.10165	46.0
127.03896	21.9
129.74367	11.2
131.08543	26.6
132.89476	10.0
133.10075	13.7
135.11723	27.7
137.25807	11.5
145.04967	12.1
161.13268	19.6
163.14812	30.1
168.25513	11.5
173.13217	15.7
243.21141	21.0
259.20917	14.8
261.22092	15.9
327.85141	12.0
335.25833	39.5
367.92740	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84716	17.3
54.89859	12.5
55.05509	18.0
56.83581	15.8
57.03438	18.4
61.02913	48.5
61.86218	13.8
64.71806	13.6
67.05504	100.0
69.03412	51.5
69.07041	40.4
72.87717	18.4
73.07064	16.1
75.06285	13.9
79.05489	33.9
79.24636	15.5
81.03400	40.1
81.07033	90.6
85.02891	71.3
88.58309	18.5
91.03929	21.3
91.05467	51.4
93.07037	71.5
95.08606	93.1
97.02881	62.1
105.07018	34.7
106.11146	19.0
107.08582	34.3
109.10165	38.5
119.08556	24.1
121.10106	36.7
127.03847	17.2
131.08566	28.3
139.30893	16.1
149.13251	16.7
150.15860	15.7
252.56970	19.9
335.25775	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04365	36.5
51.26646	33.2
57.03444	59.4
57.31483	40.4
61.02945	62.0
67.05517	99.1
69.03477	57.5
77.08892	47.4
81.07066	97.5
91.05528	66.6
93.07109	100.0
95.08624	92.2
105.07081	59.0
107.08636	49.5
109.02914	50.4
118.60873	46.8
121.10237	51.3
122.87865	43.5
154.72966	53.3
192.48294	54.9
222.36963	48.9
277.91147	65.6
280.71634	50.6
346.93509	55.1
382.87619	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99492	1.9
54.09475	2.2
70.06583	2.8
73.88741	2.1
75.28523	2.4
80.32335	2.2
91.16038	2.1
122.03400	2.7
132.83264	2.5
164.28531	2.7
179.79507	2.9
194.73000	3.3
203.22305	2.6
226.06979	5.9
244.32045	3.7
265.35211	2.4
266.25110	2.7
298.09027	33.8
323.08655	3.8
323.11932	17.8
324.97028	2.7
346.57748	3.0
351.12045	3.2
369.12714	31.5
452.15985	3.7
498.09460	4.9
498.16885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.8
55.05499	12.4
57.03425	9.2
67.05501	19.2
69.03407	16.9
69.07053	18.5
71.04983	10.3
71.08633	4.3
77.20126	4.8
79.05505	11.4
80.35692	4.8
81.03389	14.3
81.07048	64.2
83.08614	17.1
85.02897	50.9
85.06522	14.9
87.00826	17.1
91.05454	12.4
93.07034	15.0
95.08596	76.4
97.02897	17.1
97.06528	20.0
97.10186	10.0
99.04449	8.7
99.08089	11.1
105.01869	16.1
105.07027	18.3
107.08593	11.7
109.02889	20.9
119.08595	20.3
120.34245	4.6
121.10130	7.8
121.14078	5.2
127.03933	33.4
133.10147	18.8
135.11682	12.4
137.13235	29.0
155.14325	12.8
161.13248	70.1
169.18820	5.3
178.53923	5.4
179.14311	59.3
197.15347	50.1
215.16418	62.8
233.17458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00982	1.9
53.46310	1.8
57.03428	8.9
58.06593	47.5
59.07368	11.6
59.44999	1.7
60.08161	13.1
67.05487	10.2
69.07075	2.1
75.04462	5.5
81.07040	5.8
85.02905	5.2
87.04462	6.4
91.33156	2.1
91.71084	2.9
95.08606	5.4
131.07037	2.8
144.10229	10.5
162.11259	6.2
167.49341	2.4
236.14908	100.0
328.76611	2.5
480.36877	21.4
498.37817	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68908	9.2
57.03428	16.4
58.06590	100.0
59.07360	20.4
59.16803	8.5
59.70357	9.1
60.08152	28.6
60.79340	9.3
64.92220	9.6
67.05483	29.4
69.07026	13.4
69.36081	11.2
73.11985	10.7
73.95962	11.3
81.03037	11.8
81.07048	32.3
83.08628	11.1
95.08614	18.3
102.01241	12.1
105.07018	10.8
108.92613	11.5
136.59303	11.3
144.10152	17.7
217.48083	13.5
236.14893	99.1
430.01208	12.3
475.36639	11.7
480.36905	32.9
498.37503	84.4
520.57513	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22906	9.7
53.49798	8.8
58.09158	9.9
62.95827	8.3
66.53394	9.1
68.08599	10.7
72.43282	9.5
72.92361	10.5
94.72185	10.3
95.57277	9.3
119.01894	15.7
143.01854	13.8
145.03458	24.6
154.03526	13.0
155.01857	23.4
161.02831	16.0
165.05101	28.0
168.05092	26.3
173.03029	29.1
177.05045	12.7
180.05064	11.5
184.04509	15.9
185.03029	15.9
196.04535	45.4
199.01108	15.9
208.04625	23.8
217.02034	24.0
245.05083	100.0
258.04572	37.7
275.06039	15.8
277.04111	12.2
286.07645	17.2
319.04877	21.9
337.06317	30.2
398.22668	14.6
440.20343	11.6
485.49200	12.0
499.11377	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	38.5
63.69332	2.2
63.86641	2.1
74.70177	3.3
78.69716	2.3
98.97572	2.8
105.66301	2.7
161.97169	3.0
195.06787	3.3
213.19333	2.8
219.15295	2.9
233.08577	4.2
251.09576	39.5
251.12447	7.2
266.61279	3.5
269.10516	18.1
274.11111	20.7
292.12119	42.0
293.10635	10.0
305.22839	3.2
315.13940	5.2
334.13019	3.6
361.53143	3.9
378.72879	3.6
413.14771	21.9
437.00711	3.5
455.15811	100.0
499.16693	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07042	39.0
61.02899	44.1
67.05473	74.7
76.76595	35.3
81.07056	72.0
81.79518	36.4
85.02845	46.6
89.06054	40.7
91.71639	100.0
97.02929	53.6
109.10191	44.0
119.70058	44.3
324.17130	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40919	4.8
55.05501	23.4
57.03425	23.1
57.07064	7.6
61.02919	44.4
67.05492	90.7
69.03416	36.9
69.07056	29.6
73.02905	18.7
79.05469	28.8
81.03415	30.0
81.07043	100.0
81.86421	7.5
83.04957	11.7
83.08605	16.0
85.02889	64.1
91.03947	27.0
91.05466	19.1
93.07034	23.1
95.08597	66.1
97.02894	31.7
97.10189	11.2
98.52817	7.1
101.02367	13.3
105.07024	14.7
106.50637	6.2
107.08604	17.7
109.02861	12.0
109.10149	26.3
109.25676	7.3
113.31091	7.0
117.07003	7.3
121.10150	18.6
123.11657	9.9
124.28492	6.2
127.03911	16.8
133.10172	17.1
142.13432	8.0
145.04984	7.1
147.11615	9.7
179.69231	6.8
238.65054	8.2
245.22673	14.0
337.27158	49.0
351.20346	7.8
481.31210	10.4
499.32748	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53922	74.8
60.57625	66.8
62.06089	78.8
131.41212	76.3
206.19283	88.2
207.85966	95.2
276.56335	100.0
311.76648	89.9
311.80377	86.3
359.26144	97.7
413.46872	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	18.1
55.05498	38.9
57.03424	23.4
61.92710	17.1
67.05486	94.8
79.05499	49.9
79.45148	25.3
80.29985	20.9
81.07053	23.4
89.45838	20.0
91.05465	70.7
93.07041	59.8
94.61136	23.0
95.08581	36.7
105.07048	43.6
112.32919	21.6
117.07008	34.3
133.63029	21.3
136.90224	21.8
245.62613	25.6
328.26498	27.8
359.25809	100.0
392.05801	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81704	43.6
51.85483	40.0
67.05493	100.0
69.26417	46.4
79.05497	50.7
83.73324	40.7
91.05469	82.5
93.07012	65.7
111.30202	56.5
116.22258	55.3
154.63017	44.5
221.49614	53.2
238.10188	59.8
307.80057	52.8
359.25671	63.2
524.63721	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.5
57.03432	8.1
57.07032	1.3
58.06594	40.4
59.07381	13.1
60.08152	12.6
67.05483	4.0
67.07676	1.4
69.07050	4.5
73.02894	2.6
74.66460	1.4
75.04465	4.3
78.07198	1.3
81.07025	2.1
83.08610	1.8
85.02874	1.7
87.04456	3.1
95.08574	3.0
95.13478	1.5
97.10124	1.5
131.07030	3.0
144.10188	9.6
162.11240	5.3
183.40942	1.6
204.84575	1.8
236.14911	100.0
294.21625	1.8
482.38501	15.5
485.49438	1.8
500.39407	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89876	3.2
65.99864	2.6
67.05508	3.9
70.06557	4.2
71.54573	2.6
91.05460	9.9
91.71583	5.2
93.07031	6.7
95.04979	4.1
101.23966	3.2
105.07032	15.3
107.08549	3.9
117.07028	4.8
119.08598	10.5
121.06529	4.3
129.06979	7.3
129.92458	3.5
131.08585	4.0
133.06465	4.9
133.10114	12.6
142.46179	3.7
142.47272	3.8
143.08578	5.6
147.08026	4.8
147.11694	13.0
152.78304	3.7
157.10121	12.5
161.09726	4.7
171.11647	10.6
175.11182	21.3
181.08661	4.7
189.12772	6.8
199.11240	6.4
217.12079	8.4
223.13333	4.8
229.60085	3.7
235.13290	40.0
253.14319	100.0
266.14117	4.1
487.69220	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79284	4.2
55.01855	11.5
55.05498	20.2
56.75167	4.5
56.89500	4.3
57.03426	11.4
58.52523	4.1
63.69775	4.3
63.99182	4.5
67.05500	53.7
69.07069	27.6
71.04975	8.3
71.08627	5.0
72.32109	3.9
78.15763	4.3
79.05478	35.6
81.07051	74.3
83.04971	6.4
83.08605	15.2
87.39718	4.9
91.05470	64.1
93.07035	53.6
95.04952	8.4
95.08585	38.2
97.06506	9.9
99.08059	6.2
105.07030	60.3
106.06792	5.2
107.08594	23.3
109.10184	16.2
115.05460	6.2
115.60778	5.1
117.07023	20.6
119.08582	37.8
121.10143	23.0
121.51508	6.1
128.06102	4.8
129.05539	9.8
129.07021	20.8
131.08557	39.3
133.10139	31.8
133.40166	4.9
135.08095	7.2
135.11658	9.5
142.07809	5.9
143.08556	25.8
145.10115	31.4
147.11684	17.3
149.09692	12.8
149.13257	9.9
155.08582	17.1
157.10181	29.8
159.08127	6.2
159.11690	20.0
161.13249	15.5
167.08577	6.4
169.10138	14.9
171.11700	17.4
173.13292	11.9
175.11200	29.6
175.14911	6.6
181.10130	6.1
183.11710	18.9
185.13321	10.3
187.14885	7.1
189.16425	6.4
195.11668	12.2
197.13257	13.8
199.14806	7.8
201.16289	8.9
204.06085	5.9
209.13194	8.8
211.14784	9.4
213.16380	5.6
215.17908	7.5
225.16309	6.7
239.17996	5.5
325.25302	9.1
381.77667	5.9
388.38068	6.0
391.29947	11.2
409.30884	33.8
483.34912	24.9
501.35751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54436	20.5
77.09086	27.5
78.83191	20.9
92.62676	21.0
108.04534	52.7
142.03574	25.3
160.04594	32.6
165.05136	36.3
166.89926	23.3
183.06244	49.3
184.04643	100.0
207.06223	31.3
216.88716	30.3
219.06021	27.0
225.07285	39.4
226.05536	34.9
249.07213	49.5
252.88274	29.5
376.82135	34.8
441.22159	27.9
486.82480	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50476	5.7
51.59830	7.5
56.17573	7.6
58.38909	7.5
65.80590	7.5
67.05504	10.4
69.03427	11.3
69.07069	9.5
74.35964	6.6
81.03431	15.3
81.07078	15.1
85.02927	28.0
87.70964	7.4
91.05504	8.3
91.71212	16.4
93.07034	13.5
95.08616	19.2
98.13761	7.5
101.17982	7.0
105.07005	20.0
107.08626	22.0
109.10194	9.3
112.57958	7.4
117.07096	14.1
119.08630	23.3
120.44902	8.3
121.10186	23.5
123.11759	9.0
127.03915	16.6
131.08609	14.9
133.10161	15.1
145.10107	57.3
148.60886	7.9
159.02957	13.4
159.11763	29.7
173.13297	8.7
201.16409	100.0
216.79305	8.1
219.17584	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77348	24.7
53.39640	26.6
57.07076	38.5
59.61836	29.8
67.67017	31.5
69.07037	44.3
70.06590	38.9
77.73850	29.4
81.07030	100.0
81.61007	33.0
91.05507	40.1
95.08601	70.0
105.06982	43.1
107.08591	91.3
109.10160	40.5
119.08611	62.9
121.10135	90.8
130.05028	40.0
131.08710	52.5
133.10085	59.5
145.10107	71.6
148.69849	34.6
159.11711	75.4
184.07477	38.5
201.16403	87.4
219.17436	89.6
219.19537	39.1
225.90598	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33622	22.5
64.66874	26.7
68.09235	27.9
81.07054	100.0
90.25410	27.6
90.46985	30.4
95.08589	95.0
97.06563	32.1
105.07019	37.1
107.08599	40.7
119.08595	68.1
121.10153	75.9
132.02417	29.8
145.10149	47.7
159.11723	34.2
175.14929	38.3
193.95766	40.5
201.16444	41.7
219.17581	81.4
229.72287	36.5
268.89740	37.0
276.32486	34.4
469.66467	36.1
495.17279	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2925
Annotation	LysoPE(20:4(8Z,11Z,14Z,17Z)/0:0)
Peak:m/z	Relative Intensity
51.07933	6.8
55.05505	15.1
57.03421	25.1
67.05490	76.2
69.07062	24.4
69.47633	7.7
69.73845	7.3
79.05480	39.4
79.61653	9.4
81.07047	54.7
84.13003	8.0
87.96355	8.5
91.05466	64.3
93.07056	49.0
95.04968	16.2
95.08598	42.7
97.06557	9.2
105.07031	25.4
107.08633	17.2
118.69540	7.7
119.08569	41.2
121.10127	13.3
129.05539	12.0
129.06993	11.7
131.08533	9.2
133.10170	23.7
135.08160	10.5
184.07384	11.2
203.17960	13.6
234.73685	9.3
269.22525	13.0
299.36026	11.2
361.27350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62962	22.0
57.81453	22.8
62.06100	76.5
67.05504	61.5
69.07085	28.6
71.11554	24.4
75.75625	27.3
78.64228	27.9
79.05483	30.6
81.07065	35.7
91.05476	70.8
93.07086	32.8
100.80624	24.3
116.30447	24.1
117.33808	24.2
119.08597	52.5
141.83601	30.0
213.75494	26.9
215.54578	26.6
238.02234	33.0
248.30298	40.9
361.27591	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99241	2.9
55.01855	8.4
55.05494	15.7
57.03428	12.9
65.03930	4.2
67.05497	76.4
68.34179	3.1
68.40835	3.2
68.77585	3.5
69.07051	12.7
71.20765	3.7
79.05485	34.8
79.45945	3.7
81.07049	49.5
88.38397	4.1
90.89120	3.6
91.05489	24.7
93.07030	46.4
95.04950	6.8
95.08595	33.2
97.06563	4.3
98.78948	3.6
105.07013	20.2
107.08565	19.9
109.10157	12.8
119.08578	7.1
121.10156	15.4
129.05446	10.4
131.08549	6.4
133.10159	10.6
136.27141	4.1
145.10164	4.9
147.11693	5.0
161.13225	6.0
180.64717	4.1
187.14914	5.8
246.18553	4.2
258.07492	4.6
269.22705	5.3
358.78561	4.6
361.27393	100.0
453.07660	4.5
512.27240	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93168	6.3
55.05482	6.2
56.23341	7.5
56.43999	6.2
57.07069	11.4
57.67028	6.3
65.43121	5.3
67.05496	12.2
69.03380	7.6
69.07053	9.2
69.29536	6.7
81.07036	16.0
85.06509	6.4
91.05473	26.1
91.71638	8.5
100.18857	6.9
107.08591	8.1
118.73965	6.3
125.95565	8.6
133.10120	100.0
149.09537	36.7
153.09082	11.6
171.10080	11.5
379.18658	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	47.2
60.67115	11.2
69.21471	12.6
71.08632	75.1
73.84457	12.1
81.07059	12.4
85.10175	47.3
87.04468	22.1
89.06026	100.0
91.05467	33.0
91.75809	12.8
93.07025	26.8
94.87199	12.5
121.06506	74.1
125.29649	15.1
129.29153	13.4
130.08664	32.5
133.08630	52.1
165.09082	30.6
175.04582	14.3
177.11256	29.3
207.13303	15.5
247.20537	22.8
291.23105	29.0
339.46951	14.4
359.20721	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93049	5.4
53.85728	4.4
54.11158	4.4
54.80603	4.5
55.05494	7.7
57.03424	19.9
57.07069	36.2
65.51704	5.5
67.05494	100.0
69.07060	5.0
71.08614	29.9
74.27802	5.7
81.07050	29.7
83.08625	12.7
85.10179	10.6
91.46095	4.7
91.60946	5.0
91.71081	10.7
95.08614	19.6
109.10152	72.4
111.08109	7.1
119.08590	8.2
155.10683	7.9
173.11769	14.3
223.23662	5.9
229.14325	90.8
313.27307	80.6
336.34729	6.3
387.02353	7.2
467.37292	41.3
467.59872	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55061	27.8
59.47210	33.1
67.05484	39.9
69.07063	38.7
75.04490	34.1
79.05460	34.9
81.07050	100.0
91.05476	34.1
92.57013	34.9
93.07018	49.9
95.08595	65.9
98.78434	39.2
109.37204	29.4
167.78909	43.5
175.11140	47.3
220.30864	36.5
503.33011	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09599	7.6
55.05515	17.6
57.07071	7.2
67.05501	73.8
69.07073	23.8
71.08650	8.9
72.11446	7.7
79.05505	35.4
81.07043	100.0
82.15689	8.7
83.05009	9.5
83.08617	11.1
91.05519	24.6
93.07066	26.7
95.08624	36.4
105.07063	31.5
107.08608	22.0
108.92766	8.2
121.10144	10.3
131.08563	9.9
133.10210	10.0
135.08110	28.3
149.13295	14.1
173.50449	9.4
295.17371	26.2
296.17639	25.8
403.23880	10.2
463.41425	11.0
499.46384	10.3
503.37265	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94728	11.5
55.05497	22.5
57.07065	15.3
67.05491	38.0
69.07037	15.9
74.40411	13.2
79.05473	20.6
79.93536	12.6
81.07030	43.0
91.05465	45.9
93.07024	40.6
95.08583	32.9
105.07039	67.1
108.88654	12.4
121.10133	15.1
123.72819	12.6
129.06984	18.7
133.10129	42.2
147.11707	20.7
157.10146	25.8
175.11179	85.6
233.08090	15.6
238.63629	14.4
311.25833	77.6
311.98938	15.9
315.77200	15.7
481.51956	16.0
503.33011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	16.2
55.05503	27.4
57.03417	17.0
67.05484	72.7
69.07058	34.4
73.90749	13.3
75.45525	12.5
79.05478	33.1
81.07050	65.8
83.04984	12.3
91.05476	64.3
93.07026	49.1
95.08634	33.9
97.06605	15.2
105.07021	64.6
107.08596	35.1
119.08578	41.1
125.09585	13.4
131.08565	21.9
131.11726	14.5
133.10118	35.8
135.11716	16.2
137.29214	14.3
145.10138	13.4
147.11696	18.5
152.90663	12.8
157.10184	16.9
161.51407	13.2
175.11163	100.0
282.13123	16.4
311.25711	54.5
375.37106	17.5
468.88815	15.9
503.32715	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	82.7
69.07044	26.2
71.26177	16.5
79.05495	24.0
81.07049	100.0
83.08585	30.6
91.05456	35.6
93.07039	39.3
95.04961	18.2
95.08585	33.2
104.40497	19.2
111.86846	20.6
181.16693	23.3
182.67665	20.9
425.89645	20.2
428.13098	19.7
503.37637	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.1
53.35169	2.6
55.01843	2.6
55.05498	9.5
63.26556	2.6
69.03414	14.1
69.07047	3.4
73.02885	3.5
73.06546	8.0
77.67548	2.9
80.56535	3.3
81.03405	13.5
83.08633	3.2
85.02897	40.8
87.00821	12.2
92.12595	3.3
97.02897	16.4
99.04477	6.3
105.01873	13.0
105.07050	5.6
107.04940	56.3
109.02888	12.1
119.04966	6.7
119.08644	3.6
121.06503	8.0
127.03913	20.9
131.04926	6.7
133.06500	4.8
145.04962	8.0
147.07976	7.0
149.09613	49.5
161.09612	79.5
173.09656	8.5
175.11200	10.2
185.09657	4.3
203.14307	98.2
212.54263	3.8
212.56264	3.6
221.15355	100.0
227.14342	8.5
231.04980	4.4
245.15427	10.5
257.11511	3.7
263.16394	12.6
269.15414	6.6
279.78564	4.2
293.15610	3.8
311.16391	10.1
329.17508	6.9
518.50519	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.8
58.04996	3.2
63.55280	2.6
69.07074	3.9
72.08144	48.3
72.08479	4.1
74.06097	15.4
74.77255	2.8
81.52467	3.7
86.09695	100.0
86.36397	3.7
104.07124	7.3
109.28399	3.5
111.58295	4.0
120.06596	4.3
143.11807	10.3
156.32950	3.6
171.11330	11.9
187.14510	5.2
203.10425	4.2
215.14093	10.5
221.11363	7.7
284.19812	6.9
304.30396	4.4
391.98419	4.6
435.87283	4.1
508.23538	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	30.5
58.26839	12.7
60.92520	12.5
62.06070	58.4
67.05489	65.7
69.07063	27.8
70.03876	12.6
79.05470	23.5
81.07048	66.2
91.05456	16.8
93.07047	32.0
95.08580	18.9
107.08614	34.2
121.10113	25.2
135.11754	16.9
138.46837	15.2
145.10088	15.7
151.12299	15.1
282.46533	17.9
313.70306	16.3
346.37103	15.5
352.98999	16.2
363.28967	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3084
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
55.05508	24.8
65.64212	11.7
67.05486	53.0
68.08633	12.2
69.07042	16.0
73.35897	12.1
79.05483	32.9
81.07051	70.2
83.08599	15.7
84.58941	14.9
88.44508	13.9
90.20142	12.3
91.69596	14.8
91.71074	15.9
93.07035	34.6
94.42040	13.5
95.05029	13.4
95.08609	43.4
107.08645	13.4
107.43345	13.3
109.10178	23.8
119.06615	15.7
145.35796	16.0
147.95758	14.9
194.55943	15.5
328.42554	18.5
363.28900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27019	2.6
60.08146	8.5
62.06077	4.6
67.05489	8.4
71.06709	3.0
71.07368	5.2
71.46133	2.4
76.96602	2.6
79.05482	3.2
80.28180	2.7
81.07059	4.8
84.06715	3.0
85.02882	3.9
85.53436	2.7
86.09698	33.5
87.75219	2.7
91.71594	3.3
93.07043	2.9
95.93137	2.9
104.10745	4.6
124.99997	25.2
127.03848	3.2
156.80652	3.5
168.00928	3.0
184.05707	6.5
184.07333	100.0
184.08940	6.7
191.50624	3.0
263.53284	3.0
283.03784	3.7
295.72577	3.3
363.28802	3.9
407.98386	3.6
421.90909	3.9
433.94556	3.4
485.40024	3.6
525.17688	3.6
527.74963	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.4
57.03442	8.8
59.90960	2.1
65.03965	3.0
65.11509	2.3
67.05495	52.8
67.05827	3.7
68.05776	2.4
69.07062	16.8
79.05482	17.8
81.07052	40.5
81.07489	4.0
83.08654	4.6
91.05486	15.1
93.07032	23.2
95.04987	4.6
95.08600	27.8
105.07036	4.3
107.08636	7.1
109.10191	7.8
121.10186	7.5
123.11848	3.5
125.54448	2.7
129.90460	2.6
145.10228	3.5
161.35696	2.7
184.85698	2.8
320.33115	2.9
336.03632	3.1
349.00262	3.1
363.28912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.3
59.74521	21.9
65.77156	21.2
67.05504	45.2
69.62895	24.2
70.26690	19.1
79.05513	34.7
81.07065	81.6
93.07063	100.0
95.08634	44.4
97.20837	20.1
107.08635	46.9
135.11705	42.9
147.11798	24.1
149.13165	28.2
155.51707	21.8
173.13145	26.9
179.79520	20.6
196.37062	29.4
215.18135	75.2
233.19127	68.1
241.89325	25.4
256.50974	23.9
286.78806	25.5
467.95020	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	100.0
124.87154	17.7
146.02394	36.6
157.35765	15.7
168.27777	17.3
174.00917	14.5
249.39798	16.8
263.76816	18.5
264.84003	16.2
280.83224	14.7
283.07092	32.3
372.01932	18.8
380.67523	19.1
429.16455	20.7
498.14145	18.4
524.62512	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24201	2.4
50.59481	2.7
53.63042	2.6
54.31106	2.4
54.57283	2.5
55.01871	15.8
55.05510	4.2
55.77043	2.6
57.03441	7.9
57.07075	27.2
67.05495	17.6
69.07076	4.1
70.17194	2.7
71.08636	14.6
72.43673	3.3
76.33022	3.2
79.05490	8.6
81.07040	16.9
85.10213	10.4
91.05474	58.3
93.07049	6.0
95.04994	5.0
95.08627	14.8
105.07020	60.1
105.07665	3.8
107.08583	4.0
107.32892	3.1
109.10261	4.3
119.08588	27.1
123.11689	3.8
129.05542	5.9
129.07060	13.4
131.08652	12.2
133.10155	35.3
142.07777	4.0
147.08188	4.8
147.11674	22.0
157.10193	14.8
175.11168	100.0
249.15004	5.0
250.28244	3.6
313.27396	47.5
410.23407	4.0
498.76996	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85258	2.6
56.96556	8.8
59.84714	2.7
66.17920	3.0
72.15305	3.4
84.96034	5.8
87.67603	3.1
87.69670	2.7
91.71754	3.1
98.97557	20.0
110.97588	2.9
111.43536	3.4
114.85658	3.5
116.98632	10.9
131.00128	3.2
131.22684	3.8
140.00204	11.4
140.98599	4.2
158.99644	7.7
165.54512	3.1
170.99626	4.0
200.02339	4.7
201.00752	5.1
219.01791	12.6
237.02672	14.8
242.03389	13.5
260.04401	12.6
283.05988	4.2
303.07449	24.4
321.08591	26.3
344.10120	28.2
345.08643	8.3
363.09497	8.2
386.11148	4.7
420.11755	11.7
434.13229	7.1
462.12799	100.0
463.13058	6.0
495.31757	3.5
506.12570	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.6
64.44695	1.3
69.03412	3.0
78.18789	1.4
81.03394	2.2
85.02901	17.6
91.05465	5.3
92.90240	1.5
97.01881	1.7
97.02876	4.3
110.60411	1.5
119.04931	16.9
119.22104	1.6
127.03915	5.1
145.04980	6.7
147.04399	100.0
147.77870	1.6
156.81421	1.5
163.06038	2.3
165.05452	44.0
235.13957	2.0
330.11343	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	9.0
70.06580	11.3
72.08143	7.1
84.04520	5.5
85.02903	45.7
86.09705	17.4
87.10058	5.5
91.05452	7.5
97.02872	7.5
106.05022	3.6
109.02866	4.7
119.04958	15.7
127.03895	6.3
145.04979	20.0
147.04393	100.0
165.05450	46.0
198.34157	4.0
237.19925	3.9
414.48096	4.3
500.95074	4.1
522.28876	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99586	8.8
63.68465	4.7
67.05487	16.5
67.45968	4.2
76.02211	22.0
77.28817	5.4
84.04498	76.8
89.00615	8.2
97.10191	6.8
102.05525	6.3
109.10113	14.3
109.14111	5.5
121.38705	5.4
122.02722	93.9
122.06044	9.0
127.11220	30.4
130.04175	7.7
130.04987	36.7
142.03244	14.6
159.08376	100.0
168.06595	8.7
188.03818	22.0
234.10400	5.4
248.13213	50.9
251.06955	10.0
262.77341	7.3
264.66028	6.1
283.78928	6.5
377.17288	33.1
506.21747	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	2.1
55.05505	21.8
57.03429	12.6
57.07056	5.1
62.06067	1.7
67.05496	44.2
69.07055	26.9
70.03510	1.6
71.08624	2.1
77.25711	1.6
79.05486	4.4
81.07043	40.8
81.07482	3.4
82.64663	1.8
83.08608	16.3
88.50845	1.8
91.05453	3.6
92.75898	2.0
93.07046	9.0
95.08602	36.2
97.10155	6.6
99.08134	2.0
104.80367	2.0
105.07007	2.7
107.08589	5.2
109.10154	13.0
119.08543	2.7
121.10163	6.3
123.11675	4.2
133.10144	3.3
135.11664	4.7
143.72044	2.0
195.00346	8.6
242.21771	2.4
244.99837	2.5
313.27426	2.8
334.30838	2.1
365.30478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3244
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
54.65679	16.6
55.05499	39.3
57.03424	22.8
62.06076	55.3
67.05506	96.8
69.07050	32.5
81.07040	71.6
91.19108	20.2
93.07027	32.0
95.08607	57.2
109.10134	28.2
149.63284	20.3
158.57220	22.9
161.07553	20.3
365.30817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94160	2.0
60.08146	6.3
63.46820	2.3
71.07352	3.3
71.94748	2.4
86.09688	37.4
91.71123	4.9
98.98485	3.3
104.10751	6.4
114.40398	2.8
124.99995	20.4
184.07321	100.0
214.23085	2.7
218.94049	2.8
230.37694	3.1
309.72025	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90032	13.5
53.46852	20.3
61.02912	15.5
67.05484	62.0
71.08637	19.6
73.42351	16.1
76.15540	17.1
81.07050	66.7
95.08570	100.0
107.08539	24.4
109.10185	25.4
110.73415	18.3
121.10098	24.5
180.11832	20.7
217.19591	56.4
235.20525	90.4
263.81296	22.7
288.92844	24.5
394.29950	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	22.0
61.49540	2.7
69.25225	3.1
75.13071	3.5
78.92176	3.0
79.75488	3.2
85.50643	3.2
99.76781	3.5
104.77122	3.2
119.08583	5.5
121.10132	3.4
133.10176	4.6
140.00203	9.5
142.01782	6.4
158.01239	13.2
164.65526	3.7
165.03331	7.2
176.02237	4.6
181.02904	13.2
183.04393	10.0
203.14302	27.7
204.01781	9.7
208.13252	4.3
219.17416	100.0
222.02849	6.8
226.03856	4.3
227.03468	9.0
250.04951	7.1
252.06540	6.7
289.01501	7.5
294.16409	3.7
307.02609	17.0
313.01721	5.9
330.04242	56.5
507.18542	28.3
525.04675	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86484	13.3
56.55893	14.0
56.84375	14.5
61.61619	15.1
63.83773	16.4
66.30267	14.8
72.32513	15.3
76.55780	16.0
186.81113	19.0
242.29482	19.8
253.94196	22.6
283.03287	20.6
289.05261	100.0
424.62921	20.1
428.69467	19.5
507.22327	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93445	5.1
55.05510	6.6
57.03419	10.8
57.07064	32.7
67.05502	15.5
69.07039	7.7
71.08622	12.5
81.07048	20.8
85.10197	12.7
91.71011	12.4
95.08591	20.1
109.47752	6.0
136.53270	6.8
184.07346	6.2
195.00284	100.0
241.04590	6.9
280.32373	6.6
313.27374	33.5
468.46283	7.3
507.27362	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93445	5.1
55.05510	6.6
57.03419	10.8
57.07064	32.7
67.05502	15.5
69.07039	7.7
71.08622	12.5
81.07048	20.8
85.10197	12.7
91.71011	12.4
95.08591	20.1
109.47752	6.0
136.53270	6.8
184.07346	6.2
195.00284	100.0
241.04590	6.9
280.32373	6.6
313.27374	33.5
468.46283	7.3
507.27362	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91734	3.3
55.05502	4.3
57.07057	7.0
58.10031	3.5
63.60944	3.3
64.66045	3.6
67.05493	9.0
69.07047	5.2
71.08614	8.3
72.17079	3.6
81.07043	8.7
93.07059	5.3
94.76313	4.2
95.08615	4.5
99.32226	4.0
101.75110	4.4
109.10152	4.7
121.10104	4.4
147.25383	4.1
168.08102	4.2
186.07910	4.6
195.09927	6.6
229.69264	4.5
235.37724	4.7
507.36282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84906	5.0
54.22370	5.8
55.05497	18.6
57.07065	47.6
67.05486	65.8
69.07050	19.8
71.08610	39.7
78.24029	4.8
79.05466	10.2
79.43404	5.4
81.07046	100.0
83.08600	29.4
85.10178	13.9
85.36790	5.8
91.05460	13.4
91.22413	6.9
93.07027	43.5
95.08591	41.1
97.10156	10.0
107.08597	17.9
109.10148	21.9
111.08092	7.0
131.08641	8.1
133.10132	12.3
135.11668	7.5
149.13304	11.4
173.24568	7.5
179.76071	6.3
202.54524	8.4
218.63602	7.0
507.40689	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	23.7
55.11714	6.5
57.07062	58.3
62.80012	5.9
67.05493	84.5
69.07046	24.8
71.08614	40.1
79.05492	23.5
81.03397	8.1
81.07039	100.0
83.04945	8.2
83.08601	25.4
85.10171	17.8
91.05476	19.8
93.07028	31.1
95.04928	7.4
95.08604	45.2
96.30589	7.4
97.06484	7.4
97.10142	12.4
105.07016	10.3
107.08590	21.3
109.10138	13.4
112.19185	7.5
121.10122	14.4
131.16223	7.1
133.10159	7.1
135.11674	9.3
147.11617	7.7
149.13246	19.0
164.68367	7.6
179.99504	8.1
184.41986	8.5
192.10858	8.1
195.13855	16.3
221.38721	10.8
272.80438	8.1
373.65335	8.1
507.40369	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34272	11.3
55.05509	12.1
57.07080	54.7
64.07425	11.1
67.05503	82.5
69.07071	23.2
71.08643	32.5
79.05475	16.6
81.07050	100.0
83.08622	28.8
85.10188	19.2
85.45450	12.8
91.05473	19.4
91.71020	21.8
93.07053	53.1
95.08626	52.3
96.42953	11.7
97.10173	13.8
107.08623	26.8
118.87583	11.0
121.10150	14.4
161.62813	12.4
183.56453	14.5
294.37405	14.3
333.13644	15.5
371.80078	15.2
507.27237	44.8
507.40991	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	4.7
55.05491	19.1
57.06840	5.2
57.07067	56.5
62.98610	3.7
64.67081	3.5
67.05494	93.3
67.26783	3.7
69.07053	31.6
71.08620	35.5
73.36047	4.0
79.05463	25.5
81.06599	8.4
81.07043	100.0
82.28956	4.2
83.08607	24.3
85.10175	22.0
91.05473	21.2
93.07043	41.8
95.08586	48.4
97.06522	9.5
97.10151	7.1
105.07024	5.3
107.08590	23.6
109.10159	17.4
109.23661	4.3
111.86715	5.1
117.07010	4.5
118.66344	4.0
121.10149	12.5
123.11723	6.3
124.42272	4.7
131.08588	8.7
133.10153	14.9
135.11682	9.6
149.13275	20.8
170.12343	5.2
177.12767	5.1
195.13818	10.6
246.47711	5.7
507.40445	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30136	8.1
55.05481	13.5
57.07062	52.3
61.71696	8.7
62.40659	7.7
66.55605	8.9
67.05489	68.7
69.07056	31.5
71.08624	55.0
79.05482	31.0
81.07049	100.0
83.08613	27.3
85.10177	13.4
91.05473	19.4
93.07032	40.5
95.04964	16.0
95.08585	48.5
97.10151	12.5
107.08573	17.1
109.10137	15.8
117.43832	9.6
134.14577	10.9
139.42238	9.8
142.82224	10.2
149.13257	24.4
170.56200	10.1
218.83644	11.0
248.73148	11.7
301.09351	11.5
504.65323	14.3
505.77393	15.6
507.39987	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87409	6.3
55.05502	13.4
56.93486	7.4
57.07067	79.4
66.84359	7.5
67.05496	83.3
69.00245	6.9
69.07047	29.8
71.08618	46.4
79.00394	8.2
79.05467	25.7
81.07052	100.0
83.08606	33.1
85.10159	19.4
86.20007	7.0
86.28156	8.4
91.05463	22.6
93.07032	44.4
95.08592	50.4
97.10149	12.3
107.08599	25.8
109.10174	27.0
117.06966	8.1
121.10104	7.7
123.11744	12.5
133.10123	15.2
149.13246	21.0
151.91948	7.7
192.78256	8.5
195.13896	14.9
322.94589	9.6
411.27130	10.1
507.40652	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17524	5.1
55.05505	14.3
57.07073	56.4
63.07113	5.6
64.17828	5.2
64.20576	5.8
67.05497	76.9
69.07050	23.4
71.08624	40.5
73.84644	5.0
75.95523	5.2
77.35627	6.5
79.05489	13.6
81.07045	100.0
83.08618	23.2
85.10179	14.6
91.05472	20.2
91.71048	14.1
93.07043	40.1
95.08581	42.3
97.06532	7.7
105.07020	7.3
107.08599	18.9
109.10182	13.3
116.46804	7.1
121.10150	13.7
133.10165	6.6
135.11705	10.8
149.13228	8.0
151.58949	6.8
157.52669	7.0
159.77373	7.5
276.41742	7.2
326.68268	10.1
507.40305	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75431	1.2
53.91582	1.4
69.03390	1.9
85.02917	2.3
98.67952	1.6
101.30241	1.5
103.05441	3.4
112.05495	1.6
120.08095	100.0
121.08380	2.4
166.08623	48.5
381.85593	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99573	7.9
67.03089	5.4
69.03422	87.3
76.02222	100.0
81.07081	6.5
83.08588	7.2
84.04493	26.0
95.04906	9.2
105.79830	6.6
116.01673	29.4
130.04979	11.6
144.01190	10.5
162.02228	29.8
169.44133	6.6
179.04857	59.0
201.64330	7.6
216.33694	6.5
233.05974	15.1
308.08948	51.5
350.46469	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	27.7
61.50773	22.4
69.03398	37.3
73.68971	23.6
80.12368	24.0
80.87292	28.2
81.03399	35.5
81.07066	40.5
85.02888	100.0
87.00819	25.6
91.05474	31.1
93.81183	24.3
105.01872	52.7
105.07040	35.2
109.02911	42.3
123.08103	32.2
127.03886	53.6
133.67451	28.9
181.39621	30.6
194.96455	31.0
207.13841	80.1
225.14970	39.4
232.31131	35.6
415.24594	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82994	44.8
55.05513	61.3
58.19371	54.3
63.10535	46.4
83.76643	57.3
91.05456	86.0
91.71664	75.8
95.04963	73.2
95.08556	76.6
98.98415	69.1
103.57279	57.5
105.07040	100.0
119.08612	84.3
134.85526	60.9
178.90181	59.3
242.78088	66.0
248.00868	70.9
275.20181	74.9
349.23795	72.4
403.14099	70.6
459.39166	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.9
56.05009	1.0
56.86802	0.5
60.07900	0.9
60.08158	10.3
62.35184	0.6
63.61481	0.5
67.05499	0.8
69.07035	0.7
71.07347	3.1
71.53880	0.5
83.08631	0.7
86.09699	43.9
98.98450	2.8
104.10730	3.9
124.99997	23.6
166.02655	1.0
184.07338	100.0
207.02922	0.8
241.97549	0.7
358.57889	0.8
358.63031	0.7
508.33615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	47.1
57.03437	7.0
57.07079	32.9
67.05493	52.8
69.07061	57.7
70.99779	6.0
71.05007	6.2
71.08633	15.0
77.95124	7.2
78.06508	7.9
79.05513	27.7
81.07044	88.7
83.08599	61.8
85.02907	11.5
85.10177	8.0
91.03899	7.4
93.07066	35.5
95.08598	52.1
97.06570	14.5
97.10181	21.6
105.72698	8.0
107.08617	28.1
109.10188	20.2
111.08121	14.8
111.98056	7.4
121.10143	78.4
121.21150	9.5
123.11736	17.4
128.45753	8.5
131.47707	9.0
135.11693	45.6
149.13322	22.7
176.02025	11.5
184.07434	11.0
208.40625	8.4
219.21060	61.2
237.22122	100.0
255.23241	22.8
271.47589	8.5
311.25842	77.8
329.26968	31.7
516.41626	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39231	13.6
54.31580	16.2
54.47509	12.2
61.07447	14.2
62.32320	16.2
69.60887	14.5
81.73965	16.1
87.15781	17.4
95.08639	14.8
98.97598	34.8
128.98619	20.4
133.82054	18.9
146.30396	18.4
194.07683	18.8
237.02711	27.2
265.10941	22.4
295.11948	21.1
320.15399	24.9
423.16989	100.0
424.72458	20.4
465.17987	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26906	10.9
53.39345	10.6
55.05499	15.0
64.98762	12.0
67.05494	35.5
68.40981	13.3
69.03424	13.8
69.07053	40.4
69.07964	13.6
70.73529	14.2
71.83635	13.0
81.03405	24.2
81.07040	61.1
83.08599	17.7
85.02876	33.6
85.06522	47.7
91.71677	32.4
93.07059	17.6
95.08601	55.8
97.02853	20.1
97.10166	18.6
99.08086	21.4
105.07016	20.6
109.10159	100.0
111.40130	15.8
119.08613	19.3
123.11732	37.2
125.09634	20.5
127.11199	61.9
147.11719	24.4
189.16353	28.2
207.17448	50.5
225.18568	87.4
241.96132	16.6
243.19672	23.9
256.39990	16.7
364.01288	18.7
534.09668	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2722
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
50.65540	1.2
57.13966	1.4
95.08608	1.8
105.07910	1.4
120.78587	1.7
180.36220	1.9
259.24832	1.7
276.37698	1.6
306.54807	1.7
509.27200	100.0
510.27151	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41335	3.1
57.65836	3.4
78.94530	4.4
91.71085	9.1
177.51884	4.0
197.87151	5.0
438.89145	4.7
470.95328	4.6
509.28699	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	20.1
57.03408	13.2
61.36876	4.9
67.05217	4.6
67.05499	51.8
67.18645	5.3
69.07049	33.4
79.05464	6.8
81.07049	56.4
81.91081	4.8
83.08611	18.2
84.35825	5.6
91.05478	12.8
93.07040	13.3
95.08598	37.4
98.98450	26.9
101.53210	4.7
102.55986	4.7
105.07027	11.2
106.18349	6.0
107.08619	8.9
109.10171	19.5
114.92044	5.6
119.08565	7.9
121.10094	5.4
125.09838	5.2
127.97938	5.4
170.99550	5.5
180.55244	5.1
212.16057	6.3
231.89009	5.5
244.01083	6.8
280.31589	5.4
337.27322	100.0
398.16055	6.8
519.67792	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57761	8.5
57.07080	14.3
70.58571	11.3
77.33788	10.1
110.18486	10.4
168.21935	11.3
186.63731	12.0
203.94751	10.0
238.86090	11.6
365.62436	11.8
411.57913	13.0
509.34323	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	19.8
57.07069	72.6
67.05509	100.0
69.07075	48.9
71.08627	50.2
79.05554	37.6
81.07069	71.3
82.35437	23.3
83.43133	29.7
88.98573	24.5
91.05481	24.5
95.08614	57.7
96.75770	25.2
100.24697	23.8
105.07082	43.7
107.08631	39.6
109.10181	84.8
133.10185	78.6
148.24919	25.7
151.11145	37.9
220.46339	25.6
253.14355	70.1
330.18851	28.3
509.38351	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.7
55.05488	3.8
57.07019	2.5
59.73555	2.1
67.05487	5.7
67.55923	1.8
69.07053	5.2
79.05504	5.1
81.07041	26.4
93.07024	5.1
95.08591	7.3
105.07043	2.6
107.08588	4.1
109.06530	9.8
109.10109	2.9
111.04424	18.5
121.10162	4.6
123.11688	4.1
125.05996	5.0
133.10091	3.4
135.11617	4.6
137.05969	100.0
147.11707	6.7
149.09674	4.2
159.11496	2.9
161.09616	6.6
161.13269	3.7
163.11247	5.0
165.09132	2.7
175.11215	5.7
188.14334	2.7
203.17943	6.5
213.16165	2.7
231.17418	8.2
249.18538	3.4
277.17972	39.2
292.71759	2.7
295.18994	16.2
333.80444	2.4
351.21576	48.2
369.22632	25.2
472.45114	3.2
497.53519	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24179	21.0
57.28078	22.6
59.55119	19.1
65.09467	18.9
69.03410	36.3
69.07040	40.0
71.81223	19.5
81.03393	51.2
81.07030	31.6
83.08618	32.6
84.04518	24.7
85.02894	88.5
87.00808	43.5
93.68257	18.9
95.08599	27.7
97.02863	35.6
99.04384	23.1
102.05561	29.9
104.36951	21.5
105.01877	38.0
109.02871	31.8
109.10122	29.1
109.85257	25.4
118.51885	21.2
126.28786	23.2
127.03909	51.7
128.88159	23.0
130.05043	24.0
148.06062	40.0
209.19026	62.1
227.20073	100.0
301.69748	29.2
402.19775	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58346	5.5
53.13355	4.8
55.05496	8.1
55.41877	5.4
57.07067	63.0
63.97259	4.9
65.13997	5.0
67.05487	19.6
69.07050	15.0
69.52096	5.0
71.08618	49.8
72.33099	5.0
81.07058	22.1
81.21972	5.3
83.08608	23.5
85.10164	22.5
95.08575	30.8
97.10152	7.5
108.74372	6.7
108.82484	6.0
109.10162	14.5
111.11684	9.8
111.69782	5.8
123.11674	6.2
150.54910	6.3
154.36432	5.8
185.11922	5.9
239.23724	17.6
261.83282	6.1
313.27353	100.0
331.28384	8.3
385.30957	7.0
468.09689	7.3
515.05914	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88382	2.2
55.05492	5.5
57.03418	8.7
57.06797	4.5
57.07064	65.6
60.08147	7.7
61.02905	6.5
67.05495	13.7
69.07049	12.3
71.08619	46.2
75.04449	2.8
81.07046	26.5
83.08620	19.1
85.02914	5.4
85.10175	28.5
86.09697	17.5
88.11349	2.6
95.08604	29.5
97.10173	10.1
104.10739	31.7
109.10145	16.6
109.65368	2.7
123.11687	5.2
125.00012	9.8
137.13281	4.3
184.07301	30.6
218.17386	3.1
239.23659	25.8
291.41812	3.2
298.27222	4.8
313.27322	100.0
331.28433	12.2
510.35495	6.7
530.54327	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1424
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
52.57110	2.4
58.06097	3.5
64.58218	2.7
64.59526	3.0
70.06573	2.9
80.77306	3.0
87.25580	3.1
101.55347	3.0
141.30652	3.6
145.51811	3.7
217.75394	3.2
237.23784	3.3
260.09409	3.5
347.09396	4.4
349.09119	5.5
511.14188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49836	4.5
56.96579	22.0
57.28326	4.4
59.36271	4.2
60.06437	4.1
70.06624	5.1
73.68681	5.1
98.97616	17.5
103.14554	5.1
116.98669	14.0
140.00238	7.4
141.46069	5.3
149.09616	13.2
179.03821	19.6
180.03316	5.7
197.04961	21.5
202.05493	9.7
206.47713	5.7
215.05910	9.6
219.01859	10.4
220.06529	19.1
237.02921	10.6
238.07498	13.1
242.03310	11.0
243.07951	8.3
246.08159	9.4
260.04507	10.8
261.09070	9.0
263.09732	16.3
264.09192	7.6
286.11258	8.9
304.12369	9.9
425.14703	100.0
443.16010	12.1
467.15765	62.2
511.15631	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99704	32.2
64.30187	32.3
70.06573	66.4
81.07044	40.7
115.66586	38.1
116.96631	37.0
140.00153	42.8
150.24602	41.1
167.07730	37.9
249.73862	45.2
305.10483	57.6
353.12115	45.1
425.14941	95.9
435.72519	47.4
459.80240	49.7
481.28799	43.2
491.58734	50.4
511.16006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61839	5.1
56.05006	9.8
64.35035	5.5
67.00172	5.9
72.53687	4.7
75.27542	5.2
79.05482	6.9
84.04500	100.0
91.05454	14.8
93.07007	10.5
102.05528	37.6
105.06395	6.2
105.07012	31.7
107.04916	8.9
116.44839	6.7
117.07016	7.7
120.08126	12.2
121.06495	76.0
122.27786	6.0
130.04984	15.5
133.06503	42.3
134.40002	6.3
143.08521	7.1
171.11696	13.0
217.12161	15.0
243.82838	7.4
318.16965	13.8
338.69998	7.1
364.17621	22.8
465.22302	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40189	3.6
61.67451	3.3
81.23227	3.5
102.78787	4.5
120.67665	4.5
128.07574	3.7
139.28546	4.0
153.25668	3.7
185.04260	4.7
185.94933	4.2
266.83023	3.8
414.23505	4.5
414.83563	4.6
464.78070	4.3
511.28793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78543	0.6
53.03943	1.1
55.01619	1.0
55.01864	14.4
55.05486	0.8
55.80701	0.7
56.61669	0.6
58.99570	2.0
67.05521	0.7
69.03425	4.6
73.02891	0.9
76.02209	3.6
79.05483	2.9
79.41948	0.7
81.03413	5.3
81.07032	1.3
83.04976	9.3
85.02901	8.7
86.99036	0.9
87.00827	2.2
91.71551	0.9
97.02875	2.4
100.02203	2.0
105.00078	2.6
105.01869	1.6
107.08561	4.6
109.02868	3.5
122.02727	21.0
125.09621	100.0
125.67113	0.8
126.09950	1.3
127.03896	3.9
143.10652	9.2
145.05023	1.1
146.02722	1.1
157.84792	0.8
159.02885	1.4
164.03835	1.5
175.07974	1.0
212.03667	2.1
215.97491	0.8
246.11560	3.3
264.12601	23.7
512.17981	2.4
539.20313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48318	1.9
52.00162	1.8
53.67030	1.6
55.01871	15.5
55.05507	1.9
69.03419	5.4
70.06580	3.5
73.27435	1.7
76.02217	3.1
79.05488	2.2
81.03421	4.2
83.04974	9.0
85.02892	9.6
87.00784	2.2
90.87130	1.7
107.08598	3.2
119.04891	2.4
122.02734	14.1
125.09621	100.0
127.03883	2.8
143.10689	5.7
147.04350	2.2
192.39473	1.9
212.03815	2.6
231.35301	2.2
246.11560	5.2
264.12500	15.0
512.17889	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86120	1.8
57.07068	22.6
64.56576	1.9
66.55032	2.0
71.08627	12.9
72.92106	2.2
73.06550	3.3
74.62303	2.1
85.10178	5.5
87.04456	6.7
88.07618	3.8
89.06023	100.0
101.94415	2.4
106.08578	2.4
118.94732	2.2
124.80457	2.2
130.08635	25.0
133.08600	70.8
177.11215	18.0
196.12657	2.5
221.13808	3.8
239.15024	4.4
256.26370	7.9
283.17520	3.9
283.26398	8.3
295.80902	3.0
327.20102	56.8
487.44662	3.0
508.07758	2.9
512.50385	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	55.8
61.40442	12.7
70.06580	15.4
71.08611	44.2
79.68752	13.5
85.10142	15.3
88.07616	26.5
89.06010	97.8
102.09186	24.4
123.33379	17.3
130.08629	50.4
133.08595	61.7
166.22264	15.9
177.11249	22.5
241.94139	17.4
249.90692	15.7
256.26273	41.0
259.99179	16.8
283.26309	46.8
327.20288	45.8
386.15256	17.9
446.20291	17.1
512.50348	100.0
525.66742	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32731	2.9
54.50103	2.1
54.55270	2.4
55.01867	19.3
59.93787	2.4
60.18945	2.5
69.03416	9.5
70.06583	7.5
77.55177	3.2
81.03392	4.1
85.02903	13.3
89.38935	3.0
91.05464	8.6
97.02862	5.8
101.02378	7.3
102.63183	2.9
103.25088	2.6
109.02849	5.1
116.42042	2.8
119.04920	25.9
122.49758	3.6
127.03921	9.1
147.04399	100.0
165.05516	3.8
197.86992	3.4
226.80154	3.2
265.07077	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
67.01676	1.9
70.06577	10.9
81.03392	2.4
83.01324	2.4
85.02893	4.6
90.63757	2.2
91.05470	9.9
101.02377	2.6
119.04928	21.8
127.08717	3.8
147.03229	5.3
147.04407	100.0
171.04420	6.3
189.05583	4.5
199.41330	3.0
265.07062	51.4
314.00409	2.8
345.25339	3.3
465.47687	3.1
514.28479	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3032
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
50.99197	2.0
55.30364	1.8
79.80755	2.5
81.02651	1.9
82.99333	2.7
86.63549	2.4
100.08331	2.1
109.56335	2.2
116.77094	2.4
217.91072	2.9
225.27138	2.5
311.55862	2.8
473.52374	2.6
513.22571	5.3
513.30261	100.0
514.30322	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67828	28.5
67.05502	47.0
71.08621	42.0
81.07041	49.8
93.07072	41.4
119.24678	34.9
120.13622	37.5
165.89351	39.6
179.14333	100.0
182.05870	42.8
277.21823	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.5
57.07064	59.1
62.33846	22.4
64.90427	23.4
67.05489	86.0
70.06580	28.7
71.08614	65.8
79.05481	92.2
81.07034	60.8
83.08603	25.9
85.10172	22.6
88.07608	39.2
89.06013	79.6
91.05461	62.4
91.71607	23.8
93.07037	100.0
95.04955	37.5
95.08569	43.3
105.07011	44.1
107.08592	31.6
119.89397	22.9
121.10130	44.2
133.08586	48.3
141.04709	23.8
143.48190	23.6
151.82195	24.2
201.54536	25.2
207.13678	21.6
256.26233	37.0
257.26642	55.8
283.26181	50.3
333.71927	27.2
475.43292	31.9
512.50488	36.1
513.35962	33.3
513.50653	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.214
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
51.89974	1.3
56.14160	1.5
57.03423	1.8
67.05490	2.2
69.03404	6.6
70.06583	3.4
80.48421	1.9
80.62599	1.6
81.03415	2.7
84.08167	2.3
85.02897	10.9
91.05563	1.8
97.02917	4.3
118.82941	1.8
120.38121	1.8
136.06174	100.0
148.06209	4.0
154.50102	2.0
182.69266	1.8
185.08185	11.1
202.10905	24.0
220.11900	54.6
220.70926	1.9
382.17236	38.9
426.38998	2.5
464.32309	2.1
514.21350	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	20.2
91.71017	13.3
91.87379	5.3
101.32591	5.8
136.93222	9.4
154.94223	23.2
172.95233	44.9
177.95819	19.1
179.98357	13.4
190.96327	15.6
195.96843	42.8
207.64851	7.4
213.98010	11.4
218.98552	22.4
220.99873	7.1
228.97932	8.2
233.98448	19.0
236.99677	11.4
251.99454	14.7
269.59256	8.1
274.85379	6.5
275.01071	14.0
306.00409	7.5
317.17935	28.9
317.66583	7.7
321.20721	7.0
335.18970	11.1
358.20364	30.0
453.17120	42.9
471.18115	60.8
494.19815	100.0
495.20163	9.2
514.23010	17.5
532.16919	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41199	0.8
56.05036	0.9
69.03410	3.3
72.08141	0.9
81.03405	5.5
84.04501	12.3
85.02897	6.9
87.00839	1.2
91.05471	4.0
93.07044	3.8
97.02897	1.7
99.04446	1.7
103.05443	2.2
103.24069	1.0
104.63407	0.9
109.02859	3.4
121.06502	100.0
127.03912	2.1
130.05020	7.0
138.09138	13.0
184.68082	1.1
204.10202	1.7
221.12891	1.8
246.05411	1.4
250.10728	4.9
267.13400	13.6
386.14386	5.8
429.18481	1.7
454.74728	1.2
515.18677	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75779	7.8
53.48606	9.0
54.22232	7.4
56.96550	27.3
66.13930	8.9
66.34278	9.7
67.60143	9.1
91.70992	20.5
95.43221	9.5
95.76566	10.5
108.76191	10.5
130.01761	32.1
148.02802	32.2
153.03313	15.7
155.99727	14.9
171.04416	36.2
174.00728	41.9
192.01802	27.0
197.02319	100.0
215.03461	29.3
216.01817	15.8
232.59970	12.7
238.04979	37.8
257.04611	15.4
276.43881	11.4
278.36316	12.0
414.18042	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	7.6
53.03938	12.4
53.70073	7.5
55.01860	19.8
55.05493	9.7
57.03433	10.3
61.02927	9.0
66.28951	7.2
67.05497	31.1
69.03418	73.6
69.07057	34.0
71.04990	12.4
72.16286	8.2
73.02910	22.0
81.03407	57.3
81.07046	37.8
83.04971	13.2
85.02896	90.1
85.06537	97.4
86.09704	10.1
87.00821	16.8
87.58363	8.4
89.88746	8.5
91.05489	20.5
91.71399	31.0
93.07040	39.8
95.04963	20.2
95.08601	54.6
97.02890	38.5
97.06516	17.2
99.04443	26.7
105.01852	31.8
105.07029	34.1
107.08596	28.6
109.02866	39.1
109.10168	14.0
111.08061	50.8
119.08575	56.9
120.32566	9.4
121.10147	31.3
123.08054	25.8
123.11642	12.7
127.03923	48.2
129.09154	16.3
130.34724	9.9
131.08565	17.3
133.10138	37.3
134.13724	8.7
137.09645	14.7
139.11238	8.8
145.04993	15.3
145.10129	19.6
147.11699	55.2
149.09642	23.0
151.07541	43.1
153.38124	9.8
157.10167	13.9
159.02942	17.6
163.11153	14.7
167.10770	10.8
171.11734	19.4
173.13240	14.6
175.11133	11.4
175.14841	22.4
181.12358	12.9
187.14886	11.4
189.12749	18.7
193.12302	26.6
193.15965	11.5
207.13817	11.8
213.16432	10.3
218.32794	9.5
219.17471	10.4
225.29184	11.6
231.05045	11.3
231.17422	31.7
249.18492	100.0
267.19604	73.3
270.67487	9.2
284.06024	10.7
497.24130	11.7
515.24896	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35719	2.0
53.36373	2.2
53.53875	2.3
54.28494	2.1
55.20046	2.3
56.62259	2.2
61.48942	2.0
73.41084	2.4
79.28644	2.7
80.54287	2.3
91.69521	2.3
129.52583	3.1
190.73477	2.8
333.17514	3.0
515.31891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88305	6.6
55.73999	5.4
56.94941	6.2
61.56258	5.8
69.09216	7.3
70.04041	6.6
76.19141	7.4
77.00414	7.1
81.07047	7.8
91.05469	9.4
152.96107	8.0
224.18642	7.8
228.78296	8.7
236.74193	7.0
251.15239	10.4
473.59143	8.2
508.31720	8.9
515.31824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57780	2.4
53.72878	2.9
55.05502	13.1
57.03428	5.9
57.07064	4.0
59.76955	2.7
59.91951	2.9
61.02912	5.1
67.05496	94.7
69.03428	3.6
69.07070	17.0
71.04972	4.1
79.05484	44.7
81.07047	100.0
82.91616	3.2
83.04981	4.4
83.08612	8.3
85.02882	4.4
85.06602	3.2
91.05460	26.8
93.07035	55.3
95.04997	3.7
95.08600	83.9
97.10179	4.4
99.08097	4.5
104.90755	3.1
105.07021	21.5
107.08586	33.9
109.06517	4.7
109.10141	33.8
117.06989	8.0
119.08579	15.5
121.10140	34.2
123.11716	15.5
131.08566	23.5
133.10124	15.8
135.11667	25.4
145.10156	15.3
147.11725	11.6
149.13268	14.1
159.11714	12.4
161.13283	7.7
163.14873	9.1
163.58678	3.2
169.29430	3.4
173.13283	10.2
177.16345	4.8
178.18582	4.1
179.14383	4.0
187.14793	7.4
213.71893	3.6
243.21075	15.3
253.29004	3.5
261.22116	45.1
335.25748	12.5
353.26788	6.9
400.33197	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41178	4.1
55.01876	6.3
55.05516	16.3
57.03442	11.2
57.07080	16.2
65.03913	5.2
67.00730	4.2
67.05495	100.0
67.05828	5.6
69.03420	5.5
69.07070	17.2
69.49458	3.9
71.08646	5.5
79.05481	49.6
80.08202	5.1
81.07040	96.4
81.07460	6.0
83.08613	10.6
85.02930	7.7
85.06562	12.6
91.05471	44.5
93.07036	69.1
95.04975	12.0
95.08606	65.8
97.06567	6.9
99.08102	9.2
100.19456	4.2
105.07069	23.7
107.08559	38.8
109.10196	20.5
109.22567	4.7
117.07046	14.5
119.08594	12.9
121.10140	33.3
124.91396	5.3
131.08572	28.8
133.10168	14.5
135.08055	9.1
135.11670	27.2
137.13347	5.3
145.10197	22.2
147.11719	9.1
149.09634	7.7
149.13312	12.5
151.14931	6.5
159.11761	15.9
161.13315	14.0
163.14888	20.0
173.13330	10.2
177.16466	15.0
212.62509	5.7
233.22620	8.2
243.21091	45.0
261.22098	28.8
266.23505	6.5
279.83502	5.3
308.50195	6.1
335.25934	7.9
385.90613	5.9
502.09225	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35207	3.7
55.05515	13.3
57.03431	12.4
64.80930	5.6
66.06532	3.8
67.05493	100.0
67.05834	7.8
69.03410	4.6
69.07075	14.9
77.16640	4.2
79.05479	37.5
81.07047	92.0
83.08607	6.5
83.77456	3.9
85.02916	6.9
91.05466	28.8
92.19674	5.2
93.07032	64.2
93.07557	6.2
95.04979	6.7
95.08598	74.1
95.09133	4.3
97.06564	5.1
105.07055	18.5
107.08579	38.5
109.06539	5.0
109.10159	30.6
117.07047	12.7
117.46400	4.4
119.08618	22.9
121.10090	31.3
123.11771	16.0
131.08614	20.3
133.10179	14.4
135.11737	19.9
137.13347	4.9
145.10164	11.7
147.11736	11.7
149.13239	24.5
159.11769	10.9
161.13342	11.4
163.14850	10.4
165.12859	5.6
173.13330	13.9
187.14854	10.1
243.21173	12.8
261.22113	50.8
288.62421	5.4
335.25803	7.4
353.26776	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	22.6
57.07058	11.1
59.99205	10.4
67.05498	100.0
69.07047	18.1
70.59991	11.4
74.28123	11.9
79.05473	50.5
81.07038	98.4
83.04982	22.4
83.08606	19.1
91.05470	53.5
93.07036	55.1
95.04942	16.6
95.08587	35.5
99.52526	11.1
105.07047	30.1
107.08630	13.3
135.11673	14.5
147.11580	15.6
167.46312	12.3
207.13979	14.3
285.26755	12.6
483.07687	13.4
515.37201	48.2
544.45880	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	20.6
63.78853	10.5
64.56300	11.2
69.29050	10.9
70.06576	42.6
71.97356	12.4
77.15813	12.7
77.75658	12.4
78.35243	13.3
84.04507	21.1
84.08099	12.6
86.09696	17.9
88.39181	13.3
95.06087	23.6
105.14977	12.8
125.01703	17.2
126.02470	30.6
127.03271	20.6
142.03212	12.4
149.38466	16.8
153.01875	25.5
165.31282	17.7
167.02803	18.2
185.09842	30.9
214.30763	14.3
219.07692	16.4
220.78421	13.3
226.99586	13.6
277.03027	17.4
471.33762	15.1
472.15372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13163	8.2
56.65756	8.5
56.96561	22.5
59.90757	11.9
62.14035	9.1
69.55520	12.0
70.28992	10.3
75.21239	8.4
79.05513	10.2
79.86700	9.2
81.07059	12.2
86.85075	9.5
91.71076	22.5
95.08657	10.9
98.04914	9.9
147.04573	10.5
154.94290	26.8
163.28111	10.9
172.95226	75.6
175.08127	11.8
177.95905	35.9
179.98267	23.3
190.96327	32.6
195.96819	61.1
197.98434	10.6
202.98909	10.4
213.97948	25.9
218.98503	43.6
219.98357	11.2
233.98451	20.4
236.99591	14.0
249.94321	11.1
251.99548	32.8
275.01208	21.5
291.48752	13.8
337.20731	13.7
360.21936	51.7
473.19907	89.3
496.21356	100.0
516.24274	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46443	23.8
57.20504	27.3
61.71730	26.2
67.05487	35.5
89.25138	30.7
91.71042	32.2
97.84155	33.1
145.29192	30.2
159.08084	100.0
206.24606	30.5
482.40381	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	17.0
71.45953	9.8
81.07024	16.9
85.74431	13.2
91.05460	17.7
93.07039	13.9
93.42255	10.6
95.08606	56.6
105.07027	34.3
109.10150	35.1
111.08089	11.1
119.08581	45.9
121.10131	21.0
133.10100	100.0
138.76469	12.7
138.84337	12.0
145.10146	33.9
147.45015	12.0
159.08054	14.5
173.09616	69.3
173.39845	11.7
183.32701	11.4
187.14746	14.7
193.24318	10.9
197.83133	13.0
215.14262	23.2
233.15305	31.9
233.18977	23.9
290.68375	14.0
343.67142	14.3
532.99603	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.8
55.05500	9.0
56.23428	3.6
57.07053	6.3
62.45130	3.9
67.05502	27.6
68.07249	3.2
68.59018	3.9
69.07059	10.1
74.31483	4.1
79.05476	9.2
81.07065	23.8
83.08581	11.5
85.02896	5.9
85.06542	11.9
91.05461	15.9
93.07041	32.4
95.04973	5.8
95.08598	97.4
103.37471	4.7
105.01861	5.8
105.07028	45.1
107.08584	39.0
109.06454	5.2
109.10146	51.4
111.08069	5.8
113.06025	6.4
117.07010	10.0
119.08578	40.9
121.10143	40.8
123.11709	7.1
125.09635	4.7
131.08563	20.8
133.10118	100.0
135.11658	5.0
145.10098	52.4
147.11676	20.6
149.09650	5.4
155.08583	5.8
158.07271	7.5
159.08083	9.3
159.11702	29.8
163.11255	4.6
165.12723	10.9
169.43451	4.9
173.09615	52.7
173.13226	21.2
177.09137	5.3
177.12747	5.5
187.14818	25.9
189.16328	25.4
215.14346	15.6
215.17993	14.3
233.15350	22.0
233.18951	54.4
351.76645	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.05490	12.3
59.42145	4.5
59.72935	4.7
63.41406	5.0
67.05486	23.8
68.94918	5.5
69.03409	13.8
69.07062	16.4
71.04980	10.6
73.02888	6.9
74.81475	5.1
76.72157	5.4
79.05479	10.4
81.03408	19.5
81.07053	30.7
83.08608	8.2
85.02896	37.5
85.06525	21.0
87.00825	8.3
91.05456	14.5
93.07027	26.7
95.08604	84.4
97.02879	16.2
105.01860	16.4
105.07023	46.6
107.08604	29.8
109.02853	12.2
109.10136	53.0
119.08578	41.7
121.10139	67.6
125.09680	7.5
125.72851	6.8
127.03930	15.8
131.08589	34.3
133.10118	58.0
135.11676	15.0
139.11192	10.3
145.10083	34.6
147.11646	51.9
158.10986	6.3
159.11691	46.6
167.29050	6.1
169.19704	6.4
173.13292	37.7
177.12723	14.2
187.14775	12.5
189.16403	28.4
215.17902	39.7
233.18961	100.0
250.95166	6.2
372.08453	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55120	0.5
52.90401	0.6
56.05029	0.8
60.08155	10.4
67.05492	0.7
71.07364	4.4
79.05463	1.2
81.07008	1.1
86.09696	45.8
98.98460	4.7
103.06995	0.8
104.10716	3.8
124.99992	24.7
140.01137	0.7
149.86951	0.7
166.02542	0.8
184.07330	100.0
185.07565	1.1
227.26813	0.8
277.97205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	23.4
62.35985	2.1
67.05482	2.7
71.07355	8.7
79.05458	3.6
84.46310	2.4
86.09701	62.8
91.05470	4.1
98.37435	2.4
98.98499	3.8
104.10733	100.0
124.99980	28.0
184.07327	88.4
190.32117	2.6
226.99547	2.9
260.93533	2.9
340.99368	2.9
384.76804	3.2
402.72775	2.9
498.29346	4.2
516.30890	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79006	3.0
52.48935	3.2
53.00288	6.0
54.28230	2.9
62.02028	3.9
67.05492	7.2
67.51289	3.1
72.97876	3.8
73.02929	3.2
73.06545	6.8
80.59373	3.5
84.04509	4.0
85.06538	19.4
87.04451	60.4
89.06018	100.0
89.06539	7.1
91.71674	7.4
93.77070	3.6
109.90797	4.0
117.09128	7.3
126.09148	11.9
127.88665	3.7
129.09105	39.5
130.08586	23.7
133.08594	66.4
173.11661	18.6
175.09628	6.2
177.11206	20.9
265.16348	4.3
356.60535	4.8
409.34433	4.3
499.31149	8.6
515.72516	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06504	12.7
57.07068	38.1
71.08605	27.5
79.05491	31.2
81.07045	39.0
85.10169	26.6
95.08609	97.7
97.67822	15.9
105.06985	32.7
107.69344	14.8
123.08067	100.0
134.82825	14.9
171.45052	16.1
187.09770	17.3
188.68968	15.2
198.76437	16.2
243.12254	69.3
271.01779	17.3
313.27255	44.9
388.79095	17.7
419.25455	18.9
430.67889	17.7
481.35034	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14894	18.2
55.05492	29.3
57.07055	38.4
59.04952	20.8
63.96470	19.3
67.05504	36.2
71.08594	21.3
71.67184	22.5
73.81038	17.4
81.07037	65.6
91.05480	26.2
93.07004	23.4
94.27618	22.0
96.46788	22.3
101.79687	23.5
123.11690	45.1
133.10155	32.0
139.11818	21.1
243.15977	100.0
263.05759	24.8
313.27267	81.2
470.34534	30.7
481.38779	27.7
523.80707	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28484	1.4
57.62100	1.3
69.03415	3.3
73.02892	1.7
77.60033	1.3
85.02892	6.8
88.31207	1.3
90.32833	1.4
91.63937	1.3
97.02895	4.1
101.79925	1.7
127.03931	2.2
137.21906	1.5
145.04930	2.3
166.56990	1.6
174.89592	100.0
283.89725	1.5
381.08002	5.9
435.92358	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	3.2
55.01855	3.2
55.05506	22.7
57.03421	6.7
57.07057	7.8
58.81550	3.7
61.02888	4.1
61.58022	3.6
67.05499	100.0
69.03423	4.8
69.07058	32.6
71.08611	7.3
78.90823	3.3
79.05488	21.0
81.03447	4.7
81.07050	96.2
83.08605	19.2
85.02880	3.4
85.10632	3.4
91.05471	18.4
93.07027	29.5
95.04958	5.5
95.08601	89.2
97.06520	6.0
97.10171	10.9
97.19807	3.2
99.08058	3.2
105.07048	18.1
107.08596	19.7
109.10144	30.2
119.08595	16.2
121.10136	25.1
123.11725	16.6
131.08553	4.7
133.10143	16.2
135.11707	12.3
137.13248	4.8
147.11720	8.4
149.13260	9.0
161.13257	11.0
163.14749	7.8
165.16344	9.3
172.87782	3.9
175.14827	13.1
179.18010	4.5
184.07394	6.2
239.42528	4.4
245.22563	28.8
263.23703	43.3
337.27267	32.0
359.03546	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	17.9
57.03426	6.1
57.07058	10.0
67.05497	94.7
69.07058	25.8
71.08618	5.5
79.05489	19.6
79.52623	2.7
81.07048	100.0
83.08624	22.5
85.02914	5.6
85.06548	5.9
91.05466	21.5
93.07033	27.8
95.08595	70.6
97.06529	4.3
97.10162	7.9
98.47453	3.4
105.07021	15.5
105.88049	3.3
107.08592	16.8
108.40621	3.1
109.10152	42.3
111.08033	3.3
111.11698	5.6
117.06950	3.2
119.08580	11.1
121.10149	22.6
123.11726	11.1
133.10129	15.8
135.11687	13.5
137.09627	4.4
137.13229	4.1
141.12759	6.5
147.11723	9.9
149.13226	8.4
161.13272	10.1
163.14796	8.2
165.16353	6.0
175.14861	9.7
189.16408	5.2
245.22586	31.4
263.23660	40.4
275.48221	3.6
337.27411	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46379	5.9
63.10785	5.9
65.36093	6.5
68.84438	6.9
85.22322	7.1
135.35289	9.5
158.66180	8.5
199.41081	7.6
219.70247	8.9
474.95236	8.2
485.93845	9.5
517.37073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.421
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	20.5
67.05475	12.7
70.06577	99.5
71.04990	34.5
81.07046	19.7
115.48472	11.5
116.07066	65.1
158.08115	12.7
184.08885	13.6
284.10776	15.4
436.46655	14.9
438.96289	13.7
517.42126	100.0
523.89893	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29712	1.4
53.69785	1.3
57.03413	6.8
60.27281	1.4
66.14436	1.5
69.03405	11.2
71.96421	1.4
73.02928	2.3
85.02895	54.1
91.03935	2.0
95.01318	100.0
97.02877	12.2
109.02879	2.8
110.92046	1.7
111.00819	4.6
113.02369	7.5
118.08685	1.8
125.67500	1.9
127.03920	5.5
129.01831	13.5
141.01817	46.8
145.04922	10.0
163.05997	3.1
177.03926	98.4
194.06554	2.4
313.82816	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86914	1.9
63.97995	2.1
69.90135	2.7
79.10899	2.5
85.16890	2.3
103.05510	5.4
112.58833	2.6
120.08093	100.0
120.08950	5.0
131.05028	3.2
165.88727	2.3
166.08623	45.7
166.09962	3.1
275.35529	2.5
336.29980	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04628	4.2
57.37543	3.2
58.99571	18.2
63.51263	3.9
67.05500	6.5
76.02221	100.0
79.05481	12.9
81.07069	9.7
84.04480	10.1
85.02607	4.4
85.35913	3.6
91.05428	20.4
93.07034	12.2
94.17142	3.5
95.10422	3.8
100.20052	3.5
105.07008	28.6
107.08596	9.7
116.01685	14.1
119.08578	8.5
121.10114	9.0
131.08551	22.5
133.10103	16.2
144.01155	10.7
147.11731	5.8
149.09592	5.6
157.10123	6.3
162.02153	39.5
175.11209	11.8
179.04843	65.3
179.06308	6.4
233.06036	6.5
283.80237	4.2
286.14694	5.5
308.09091	22.8
389.17508	5.8
523.52527	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	76.6
60.08152	20.2
65.43768	13.2
70.06579	36.4
75.25269	12.8
77.25698	14.1
86.09664	17.5
89.35625	11.9
91.90226	12.1
97.99203	24.6
98.97572	17.3
109.02902	14.1
110.82532	14.8
116.00240	27.8
116.07102	18.2
116.98626	16.7
117.35007	12.3
134.01323	13.6
139.01790	24.1
140.00182	37.4
157.02817	26.3
158.01276	78.0
176.02307	37.9
177.80202	13.4
180.04504	22.0
181.02820	100.0
184.07442	22.1
199.03912	48.2
200.02344	76.3
222.05559	65.2
223.03900	57.6
238.62547	16.3
241.04974	50.2
242.03433	42.9
250.19427	15.7
258.70645	14.4
260.04489	15.4
283.06030	34.5
404.40826	17.6
482.93988	18.2
517.42487	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91982	23.1
56.96546	45.8
84.04512	23.5
94.47709	24.0
104.96070	21.9
158.01251	84.3
165.68628	26.9
176.02278	51.0
181.02843	79.0
191.02248	28.8
199.03874	61.0
200.02333	100.0
222.05565	29.6
223.03888	41.8
398.18924	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44073	16.4
55.05506	28.7
55.14013	22.6
60.11356	23.6
69.03400	24.0
70.06555	33.7
71.12447	19.7
81.03402	37.8
81.07034	28.7
85.02906	55.7
86.09680	36.4
93.06993	26.2
97.02879	55.4
100.71974	25.3
105.07057	43.3
107.02781	22.4
109.02906	37.0
115.43150	25.8
116.33256	28.5
127.03914	65.7
134.35114	24.0
134.97035	25.6
149.09654	34.1
163.11134	24.6
173.05714	24.3
181.10074	24.7
217.15942	100.0
227.11891	25.1
259.99850	24.6
483.22110	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67664	8.9
58.55415	9.2
63.29925	8.6
63.72815	9.1
67.05485	13.4
87.98233	10.6
95.01654	62.5
95.53756	10.9
99.75378	9.4
114.07336	23.9
118.03191	100.0
135.50493	11.1
145.06790	63.1
145.10144	10.4
147.04671	28.3
160.11768	12.1
184.07275	13.7
186.71892	10.6
189.09415	19.1
191.07227	14.5
216.99988	10.4
230.60046	10.7
233.11998	19.4
321.17459	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55626	2.6
60.08155	16.7
71.07362	7.6
83.03104	2.6
84.82767	2.6
86.09696	61.7
91.59390	3.0
93.07075	2.6
98.98489	3.8
99.19439	2.9
104.10738	100.0
109.10048	2.8
109.62981	3.4
122.62990	3.2
125.00002	28.5
128.39034	2.8
147.81750	3.1
167.54344	3.0
170.64027	3.4
184.07343	84.0
238.18365	3.1
258.33252	3.4
262.95096	3.4
289.37054	3.1
301.86804	3.2
336.34311	3.6
353.98608	3.9
500.30954	5.0
518.32288	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21569	1.4
60.08162	10.4
66.08130	1.7
71.07360	3.5
86.09695	46.6
96.15041	1.8
98.98457	4.1
104.10748	2.9
124.99986	26.2
131.92206	1.8
184.07332	100.0
193.72025	1.9
287.13705	2.0
376.39301	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72995	1.4
59.43681	1.6
60.08161	10.8
61.54951	1.7
66.12440	1.6
67.05486	2.2
71.07358	4.3
86.09695	47.5
98.98475	5.1
104.10749	8.4
115.40809	1.5
116.46270	1.8
120.37909	1.5
124.99992	25.8
136.24474	1.8
143.79210	1.5
178.62375	1.8
184.07327	100.0
397.18405	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64196	2.1
60.08146	12.9
60.26656	2.7
67.05492	4.9
71.07348	6.1
77.99870	2.3
81.07022	4.2
85.45715	2.7
86.09688	62.2
93.75844	2.6
94.08650	2.5
98.98460	3.4
104.10734	54.1
124.99995	28.2
135.59996	3.7
184.07333	100.0
259.07281	3.3
278.07120	3.2
367.32596	3.6
370.37762	3.6
382.92178	4.5
399.16092	3.6
518.32819	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.9
55.05503	58.5
57.03416	19.7
57.07066	49.4
58.81891	3.6
65.49541	3.7
67.05492	31.1
68.27954	4.8
69.03417	11.1
69.07048	18.8
71.08625	32.2
71.91703	4.2
79.05504	7.0
81.07050	36.6
83.08607	47.1
84.84991	4.3
85.10172	16.4
91.71575	8.0
92.11817	4.3
95.08570	21.6
97.10161	97.4
107.08560	23.1
109.10159	11.5
111.68404	4.1
125.09634	72.3
135.08122	6.3
171.10075	6.7
189.11182	43.7
204.72485	5.5
227.12779	100.0
230.73021	5.1
239.23494	7.0
245.13783	90.5
246.27740	4.5
313.27328	94.3
343.47299	4.9
373.64117	5.8
483.36798	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86794	2.6
66.37666	2.6
73.75206	2.2
78.86110	2.9
83.76158	2.9
95.89020	3.3
114.58329	3.3
118.06571	18.9
124.67867	2.8
129.31848	3.2
132.08084	6.4
144.08089	13.2
146.06001	62.5
159.09186	7.9
170.05986	4.0
172.78333	2.8
174.20137	3.7
188.07056	100.0
202.14426	2.7
205.09706	38.6
220.85162	3.1
227.74167	3.5
243.74553	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55496	2.1
55.85968	2.2
56.05047	3.0
58.98540	1.9
71.40170	2.1
84.04496	64.4
86.06062	8.5
86.09698	100.0
93.01176	2.4
102.05534	10.9
114.05534	3.6
122.06025	5.7
126.09683	2.7
126.17893	2.3
130.05011	20.5
132.10201	45.1
142.04984	6.3
148.05978	3.1
149.07121	4.9
152.10736	7.1
168.06575	11.0
182.78627	2.8
195.07721	7.2
198.11234	13.1
238.94702	2.8
241.08174	4.3
243.13535	3.4
244.11720	7.8
244.70125	2.7
259.09335	5.3
261.14392	43.7
266.23102	2.9
346.61038	2.7
349.04611	3.1
361.77667	3.1
385.09543	3.0
390.18637	15.4
486.19022	3.2
519.23163	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12086	21.4
53.59861	19.7
55.05492	27.8
67.05485	80.6
69.07056	55.8
79.05465	25.1
81.07050	100.0
83.08600	50.1
86.34724	26.2
91.71690	38.1
93.07028	47.6
95.08604	51.2
97.10127	31.2
109.10122	48.8
111.11683	26.0
113.46992	24.7
121.10255	29.7
135.11707	35.0
165.95164	26.6
339.28949	35.9
350.39365	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94538	17.1
53.85954	16.4
54.46857	16.1
57.03397	18.9
57.07054	64.5
67.05471	28.5
69.80318	17.3
71.08598	26.0
81.03399	35.1
81.07049	30.5
91.05474	100.0
93.07013	24.3
96.66533	19.4
117.07011	45.3
119.08618	25.9
119.20220	20.4
128.06177	36.6
129.07019	77.0
134.08023	25.0
143.08549	55.6
145.06506	25.7
147.08124	24.3
160.49809	22.3
161.09676	35.0
171.07962	29.4
189.09128	37.5
263.12668	27.6
313.27362	58.6
452.07117	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53298	15.9
53.97953	17.7
54.13525	16.1
55.05510	26.2
55.06290	20.2
57.07070	85.7
63.21818	16.9
67.05508	100.0
69.07079	22.3
72.04521	37.8
78.36510	19.3
79.05485	54.0
79.47118	18.6
81.07077	73.3
91.05502	72.8
93.07071	65.3
95.04991	32.5
95.08608	50.2
97.08937	25.7
105.07057	40.3
105.64259	19.6
117.07002	27.2
119.08586	27.4
125.05245	20.5
129.07005	32.4
147.11696	41.8
156.52734	22.8
171.11690	25.0
187.08931	24.5
351.83328	25.7
519.40735	69.4
533.84161	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01853	1.3
57.03418	0.8
61.02916	0.9
68.92706	0.6
69.03416	5.6
71.01316	0.6
71.04980	1.3
73.02898	1.5
81.03415	7.1
84.63425	0.6
85.02893	14.9
86.09718	0.7
87.00826	4.5
91.05462	4.9
97.02888	10.5
99.04433	3.8
105.01844	3.6
109.02877	5.6
117.01887	0.7
119.04945	13.9
127.03908	9.6
129.01903	0.7
145.04997	4.8
147.04401	100.0
148.04768	1.0
150.62230	0.6
159.02869	2.4
165.05466	1.6
189.05426	0.8
231.04819	0.9
231.06834	0.8
235.59015	0.8
237.07565	7.8
395.09747	1.4
413.10458	1.1
494.46786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94162	2.1
58.66179	1.8
74.02418	4.0
74.25449	2.0
76.15576	2.6
84.04497	19.8
85.02908	7.0
87.05596	6.5
88.03979	2.5
91.05460	18.2
95.01307	5.9
95.04969	11.6
102.05508	5.2
102.14822	2.0
119.04922	27.8
121.06503	3.4
123.04414	48.1
130.04979	8.7
133.06079	16.5
136.06491	4.5
136.07567	96.2
140.29285	2.7
141.01773	2.6
147.04391	15.2
165.05452	58.6
168.06596	3.4
177.03941	8.3
182.08116	100.0
262.10422	5.8
318.56546	2.4
391.14758	3.9
408.47577	2.4
490.69720	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20121	6.4
55.01860	8.8
55.87487	5.2
57.03427	6.7
59.22375	7.3
69.03421	46.3
69.22429	6.3
70.06536	9.2
81.03397	35.1
83.35458	6.9
84.04485	14.6
85.02896	74.7
86.09702	19.7
91.05463	10.0
97.02869	21.2
99.04449	17.4
101.27749	7.5
106.06554	27.7
109.02875	37.6
109.05246	18.0
110.06022	100.0
119.04914	12.1
120.04468	8.9
122.06010	17.0
127.03936	25.0
134.06001	74.6
146.06021	12.2
147.04393	96.2
152.07057	28.4
159.02885	11.9
176.07037	13.9
183.25572	8.6
200.04533	9.3
200.07008	11.3
229.51144	7.1
231.04965	11.5
236.09134	12.2
242.03580	7.5
254.10297	27.7
333.81046	8.5
358.11331	39.4
418.23993	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78053	10.2
54.91740	11.0
55.73088	9.9
67.05505	15.2
69.03416	10.0
71.05018	16.3
72.29023	10.0
80.27531	11.5
81.03423	14.9
85.02930	33.1
85.06539	68.6
93.07039	19.7
127.03951	12.6
147.01685	11.5
159.11650	12.0
168.15942	11.6
183.11650	17.0
201.12814	18.0
201.95570	11.4
219.13898	15.3
237.14890	31.4
255.15875	100.0
303.25717	10.9
397.25018	13.0
451.24332	12.2
536.39642	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.7
57.78401	2.3
60.08158	22.0
60.43916	2.6
63.70446	2.3
67.05473	4.2
71.07355	5.5
86.09228	5.5
86.09703	48.2
91.71037	4.4
94.62699	3.7
104.10044	5.1
104.10740	100.0
106.86629	3.2
125.00002	25.6
149.98117	3.0
151.32651	3.1
166.87610	3.2
183.55157	3.2
184.07341	79.9
440.71432	4.0
502.33105	4.5
520.34241	15.2
531.59326	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	11.3
71.07349	4.8
86.09700	41.4
95.78122	1.3
98.98454	3.0
101.78196	1.4
103.46528	1.2
104.10737	3.6
108.11246	1.1
117.84976	1.4
117.85822	1.4
124.99998	22.6
158.69899	1.4
180.32271	1.5
184.07333	100.0
262.12152	1.5
280.85962	1.4
299.95370	1.4
301.73810	1.4
309.14728	1.5
454.91220	1.5
463.46277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30966	12.3
74.49973	11.1
75.19449	13.0
115.85164	14.4
116.54633	15.4
128.73358	16.9
221.95862	14.7
250.75136	15.2
289.05231	100.0
521.19177	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24812	1.7
67.05476	3.8
71.95218	2.1
81.07034	2.9
85.25975	2.0
86.09740	2.4
91.49903	2.2
91.71104	4.8
93.07038	3.9
95.08608	7.4
98.04263	2.2
105.07026	7.1
107.08578	3.0
109.10146	4.0
119.01974	3.3
119.08581	5.6
119.22820	2.6
121.58947	2.2
130.94386	2.6
131.08554	3.6
133.10146	7.3
145.10089	3.6
168.54271	2.3
181.20685	2.7
184.04573	4.1
184.07385	5.6
197.22745	2.3
234.71980	2.5
245.06305	4.1
266.27301	2.3
289.05270	100.0
289.08499	5.5
311.09909	2.5
347.33359	2.7
464.70743	3.1
521.23859	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52661	21.5
72.46728	23.3
91.71648	55.1
109.38684	29.1
111.91895	29.2
116.16177	31.8
117.91653	30.5
125.57364	30.8
137.23259	28.8
140.17960	27.6
141.27394	26.6
182.02744	34.8
190.95692	31.8
236.52649	35.9
244.01959	30.3
312.89322	29.0
521.23383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
57.03424	5.6
60.79028	3.9
61.02913	5.1
67.05478	5.5
67.58031	3.6
69.03415	36.8
72.75073	3.6
80.58131	3.9
81.03410	32.8
81.07059	6.3
81.58784	4.6
85.02904	31.3
85.06534	6.8
87.00822	8.6
91.05453	10.0
91.70975	6.3
93.06970	4.8
95.04962	9.5
95.08636	4.0
97.02884	14.7
99.04443	10.2
105.01841	6.7
109.02885	28.1
109.06507	25.3
115.39892	5.0
119.08543	8.7
121.10204	7.8
123.08064	48.2
127.03896	32.9
131.08559	12.5
133.10144	7.6
142.07773	6.5
143.08492	8.7
145.05014	5.1
145.10126	5.9
156.09303	6.2
157.10127	13.5
159.02911	11.6
171.11655	15.2
173.13246	29.3
187.11223	5.8
197.13347	10.1
198.86626	4.9
199.11125	30.1
214.13622	6.5
225.12727	8.0
235.26303	4.7
240.57919	4.6
255.17383	100.0
271.66272	5.4
273.18402	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
64.27880	6.1
69.03427	32.1
81.03423	29.8
81.07040	9.4
85.02888	40.0
87.00836	10.6
95.04946	6.1
97.02879	14.4
99.04481	8.6
105.01926	9.5
107.08595	11.6
109.02934	20.3
109.06544	18.5
110.50686	6.3
119.08620	9.9
123.08046	36.7
127.03958	26.7
131.08559	8.6
135.08092	6.3
151.11177	9.1
156.09473	11.1
157.10187	16.2
159.02966	8.2
163.86882	5.8
171.11726	11.1
173.13367	19.3
184.07248	6.9
189.54579	6.6
199.11227	25.7
213.16469	8.3
255.17403	100.0
319.33917	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43574	7.2
56.34721	9.7
64.79839	8.9
69.03419	37.1
70.08290	8.4
78.00527	8.3
81.03424	28.5
85.02888	46.8
87.00793	13.5
95.04971	20.4
97.02892	28.0
105.01823	15.7
109.02917	28.3
109.06534	29.5
116.94247	9.7
123.08079	30.5
124.49448	9.3
125.61615	9.0
127.03934	28.6
131.08611	17.3
132.74788	9.3
137.74776	10.2
145.04967	10.1
156.09213	11.6
162.94600	11.1
173.13223	10.8
181.10196	12.6
197.13257	12.5
199.11151	13.0
213.16626	11.5
255.17429	100.0
273.18170	14.0
273.73770	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01855	4.6
57.03411	5.9
57.43451	1.9
60.26674	2.0
64.46016	2.2
66.49516	2.1
67.05492	3.2
67.32109	2.2
69.03420	30.6
69.07040	3.0
70.66243	2.0
71.04976	3.7
73.02902	2.9
79.52516	2.6
81.03413	28.8
81.07049	8.1
81.43387	2.4
85.02895	35.1
85.06537	6.5
87.00822	10.3
91.05503	4.4
93.07027	3.6
95.04967	11.9
97.02895	13.1
99.04471	7.6
105.01866	7.8
105.07021	7.9
107.08592	4.2
109.02869	24.7
109.06517	23.1
117.01803	3.9
119.08581	8.5
121.10161	4.9
123.08062	39.3
126.28724	2.4
127.03915	27.4
129.01839	3.5
131.08563	10.4
133.10138	8.5
142.07817	4.5
143.08591	5.5
145.04958	6.9
145.10158	4.3
147.11703	4.0
151.07541	5.1
155.08598	5.2
156.09351	6.8
157.10150	9.3
159.02890	11.4
169.10161	7.0
171.11691	11.8
173.09647	6.6
173.13237	29.1
175.11200	4.1
181.10130	6.2
182.10905	4.5
184.08833	3.9
185.13248	3.8
187.11214	2.6
193.10088	2.5
195.11646	6.1
197.09616	5.0
197.13196	11.7
199.11153	20.2
207.11740	3.8
211.14912	5.2
213.12747	3.2
213.16312	5.4
214.13509	5.4
225.12862	4.0
231.05060	3.4
237.16422	3.9
240.15033	3.5
255.17401	100.0
257.18954	2.9
273.18463	6.4
273.28268	2.4
284.01312	2.8
357.90173	3.4
435.23761	3.1
521.23755	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72695	2.0
56.05030	2.5
72.21507	1.9
79.96594	2.4
84.04496	45.6
86.09698	100.0
91.71678	3.3
93.59515	2.6
108.10258	2.5
113.02394	2.5
123.66556	2.4
130.04993	7.4
132.10194	46.7
142.05028	4.7
144.81993	2.4
150.68182	2.7
187.49373	2.6
198.11279	8.1
203.21379	3.1
222.77931	2.5
244.11845	9.2
261.14438	58.6
261.17044	4.9
507.83749	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69682	16.1
67.05478	22.7
67.77497	18.4
69.21718	15.8
73.02898	27.9
77.52392	15.2
78.05429	15.7
81.07051	34.8
85.37199	19.4
86.09698	59.8
90.09090	15.6
107.08593	22.1
117.23590	18.6
124.99998	54.4
147.16910	18.2
147.70610	22.4
151.44273	23.1
184.07289	100.0
266.44553	20.6
294.95493	21.4
356.93088	21.8
357.21948	22.5
362.12915	24.3
380.33533	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18471	18.8
57.07071	63.5
59.59251	20.2
67.05492	42.0
69.07023	24.7
71.08582	33.3
74.30502	23.7
79.05481	29.5
81.07064	40.7
93.07046	43.4
95.08569	75.0
120.90278	24.4
128.83244	27.5
135.11702	31.2
141.83009	32.0
145.10136	30.7
163.11214	82.3
227.12830	100.0
253.94899	27.8
259.94925	33.4
495.48901	28.1
521.38489	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.1
57.03425	7.2
61.02903	4.8
69.03420	37.3
71.04980	1.7
73.02900	6.6
81.03394	5.2
81.21428	1.4
85.02898	100.0
87.04440	1.7
97.02882	37.5
99.04448	10.2
101.02370	5.5
109.02872	6.9
123.04411	1.9
127.03913	61.5
145.04951	61.2
154.92250	1.6
155.43604	1.7
163.06032	12.0
177.48566	1.8
227.56427	1.9
254.98108	1.8
280.59995	1.8
289.34314	1.9
310.97250	1.9
325.11313	3.4
371.67468	1.9
502.49567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.0
57.03418	7.7
68.25250	2.5
69.03422	36.9
73.02903	6.1
81.03389	3.1
85.02897	100.0
86.09714	3.7
92.50471	2.9
97.02880	38.1
99.04456	6.8
101.02336	5.0
108.19036	2.8
109.02908	4.3
127.03907	69.8
127.04806	5.2
145.04955	54.3
163.06001	10.8
168.06618	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73103	1.9
55.01865	12.8
57.67868	2.2
58.99572	2.3
76.02209	6.2
77.48504	3.4
77.96228	2.4
81.07065	3.0
83.04969	4.3
84.04495	27.8
84.82474	2.6
85.02888	3.0
102.05505	3.7
107.08570	4.2
122.02720	22.5
125.09624	100.0
130.04990	5.8
131.53799	2.9
131.75974	2.5
142.03181	4.9
143.10661	5.4
157.65631	2.8
251.06956	6.4
264.12357	5.6
274.41809	3.0
380.11011	3.8
393.16858	9.5
522.20898	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40274	0.6
54.32661	0.8
54.73072	0.7
55.01873	1.5
56.68703	0.7
57.03431	1.3
69.03420	6.3
70.06560	0.8
71.91213	0.8
72.08176	1.1
73.02914	0.9
80.34064	0.8
81.03425	0.9
84.04517	0.8
85.02899	16.8
85.03369	1.2
86.65685	1.0
88.03842	1.0
91.05502	3.4
93.07018	5.4
95.04967	1.6
97.02892	5.9
99.04483	2.0
103.05482	2.6
103.63305	0.9
109.02899	1.5
118.42683	1.0
121.06497	100.0
127.03932	11.0
138.09134	28.5
145.04930	10.0
163.06123	1.9
165.67216	1.0
196.01004	1.1
206.64574	1.1
218.28787	1.0
290.63028	1.0
315.81039	0.9
369.55554	1.1
484.82440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80040	0.7
57.95076	0.7
58.09164	0.8
58.35297	0.8
60.08157	8.8
65.41918	0.7
71.03748	0.8
71.07352	3.6
71.62195	0.8
84.37431	0.9
86.09698	45.6
88.96046	0.9
90.02426	1.0
91.01884	1.0
91.34473	0.8
98.98450	2.7
104.10734	4.1
124.99998	23.7
125.14791	1.0
133.90160	1.1
154.49356	0.9
184.07336	100.0
211.34221	0.8
221.07436	0.9
425.51358	1.2
500.68524	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00687	1.9
53.81791	1.5
54.34710	1.8
60.08152	22.1
64.40813	1.9
69.07056	1.8
71.07346	8.0
83.08630	2.5
86.09698	50.6
91.37032	2.4
98.98441	2.6
101.38472	2.0
104.10027	5.2
104.10733	100.0
108.22565	2.0
124.99986	23.3
132.03949	2.7
179.78818	2.2
184.07315	85.1
464.97266	2.6
504.34625	2.9
522.35260	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.5
56.05015	1.4
56.08930	1.1
56.97924	1.1
58.06585	1.3
60.07902	1.8
60.08158	20.8
67.05491	2.1
69.03875	1.4
69.07042	2.0
69.49711	1.3
71.04990	1.3
71.07362	7.5
72.96764	1.2
74.10420	1.2
75.74239	1.4
86.09701	60.6
95.08597	2.3
98.98438	4.2
104.10738	100.0
125.00005	29.2
128.86577	1.5
134.49452	1.3
155.03220	1.4
166.02704	2.0
170.27890	1.4
184.07335	90.3
289.93478	2.0
384.57941	1.8
466.69290	1.8
504.34070	4.3
522.35449	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35099	22.9
58.67601	23.6
72.08127	30.6
84.04483	45.3
86.09702	37.6
120.08096	40.2
122.02702	29.6
148.58633	28.5
152.22729	32.8
165.20456	28.8
366.01578	34.0
464.56396	35.5
479.18671	56.5
523.17596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26014	14.7
53.79276	15.0
55.33867	17.4
57.03439	20.4
57.07069	26.0
60.08160	23.5
67.01479	16.7
67.05493	27.2
77.09843	21.1
81.07076	27.0
83.08624	22.2
86.09723	85.0
87.96582	18.6
88.06474	18.2
95.08627	25.2
101.48769	17.8
104.10779	77.1
121.73872	24.8
125.00023	39.8
127.03238	21.7
167.44632	20.7
172.95277	32.2
184.07318	100.0
184.84291	19.6
185.07660	24.1
210.97655	33.5
218.98610	29.2
250.44019	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80189	66.1
60.11521	60.1
71.11382	62.5
105.10909	73.9
105.40802	75.4
121.10155	100.0
125.99502	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29768	15.2
57.41830	13.6
58.04268	18.6
67.05492	18.3
69.03406	38.9
71.04980	47.5
73.02882	17.8
76.53124	18.4
81.03411	38.8
81.07050	21.8
82.73560	15.9
84.02050	16.5
85.02901	59.2
91.05465	31.7
93.07047	19.0
95.04972	38.6
95.08599	27.0
97.06528	39.6
99.04446	98.8
103.62415	15.6
105.07028	23.8
107.08560	31.0
108.75615	17.0
109.02917	17.2
109.06509	85.8
109.10157	24.7
119.08591	55.0
121.10118	65.5
123.92293	18.0
133.10126	31.5
135.08127	100.0
135.11662	41.5
145.10057	21.7
147.11673	18.0
153.09204	20.0
155.10751	19.0
157.10115	36.8
157.75529	17.3
171.11647	20.5
173.13321	26.3
175.14853	35.7
199.14667	29.7
257.19043	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14320	17.4
54.79336	15.2
55.05496	29.2
57.27689	15.8
60.80970	21.8
62.13573	17.2
67.05485	28.4
69.03435	23.9
70.81997	16.7
81.03431	25.1
87.02748	18.1
91.05477	32.3
91.34963	17.0
93.07041	57.5
95.04972	24.9
95.08592	33.3
105.07034	43.6
107.08573	49.0
109.06478	29.6
119.08599	79.1
121.10126	100.0
127.15008	21.3
133.10132	43.3
135.08060	87.9
143.08536	38.0
145.10092	31.1
157.10138	53.8
159.11629	29.3
173.13297	51.8
199.14825	47.0
213.16371	28.8
214.64122	20.4
257.18939	65.8
275.20166	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92824	2.0
63.81856	2.0
71.71186	1.7
73.35955	1.9
75.84389	2.1
80.29917	2.3
81.03317	2.2
81.07027	2.3
95.08598	3.2
95.93256	2.3
167.53261	2.1
198.32620	2.6
210.61021	2.7
221.01762	2.2
256.33185	3.0
523.25470	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37359	10.3
55.05499	28.0
57.07054	12.8
61.17106	11.1
64.84570	11.5
67.05495	23.6
69.03403	11.1
69.07059	93.9
81.03377	19.5
81.07027	69.1
83.08607	54.3
85.02891	37.7
87.69126	12.7
95.08595	71.4
97.10196	31.3
103.99048	15.0
105.07015	14.4
107.08565	19.0
109.10126	100.0
111.11710	19.7
119.08583	15.0
123.11690	66.9
127.11194	49.1
161.13182	14.0
179.17915	19.6
187.80800	17.0
203.17952	40.6
221.18961	68.1
233.09573	14.5
239.19997	82.4
257.21133	56.2
301.76962	16.1
328.02957	19.8
352.17844	19.1
389.61331	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74651	25.0
58.06583	63.9
63.39654	28.1
67.05492	100.0
77.55874	30.7
81.07037	97.5
83.64602	27.5
91.05474	51.6
93.07013	67.0
95.08587	41.9
97.02843	36.7
137.25752	33.5
146.98894	40.5
179.07123	37.5
236.14790	58.8
308.88834	40.2
312.62045	37.0
523.38110	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55241	10.5
55.05486	22.0
56.05014	11.1
57.03423	32.3
61.02916	55.3
67.05505	82.0
67.22421	9.1
69.03422	33.0
69.07047	16.7
71.01344	12.2
71.05010	10.3
73.02908	28.6
76.77275	9.8
76.85745	7.8
79.05485	64.7
81.03400	22.0
81.06625	10.6
81.07046	76.7
85.02888	96.6
90.59690	11.1
91.03948	28.7
91.05469	100.0
93.07040	63.2
95.04961	17.4
95.08574	61.6
97.02889	44.7
97.06534	13.3
101.02386	27.8
103.03940	17.9
105.07024	74.6
107.08601	37.9
109.06538	13.9
109.10171	12.0
117.07012	28.9
119.08576	47.6
121.10146	27.4
124.98438	9.6
127.03934	19.6
129.05466	14.4
129.07010	16.9
131.08546	30.3
133.10117	42.9
135.11690	15.1
143.08640	12.2
145.10156	21.4
147.11694	17.8
157.10083	14.9
171.11780	20.5
203.17967	33.3
361.27264	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47321	34.3
51.85721	49.0
55.05514	67.4
57.03400	49.9
57.07070	69.9
60.02182	42.7
67.05505	100.0
71.08655	80.2
81.03426	91.7
81.07066	76.5
83.08634	95.5
85.02916	66.7
95.04976	60.2
95.08604	76.0
97.55582	41.7
121.66940	44.7
163.22711	55.0
193.12233	67.5
206.17352	52.8
211.13293	90.9
283.21918	52.2
321.30078	48.8
372.26935	59.7
412.24249	60.4
545.28412	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	24.2
57.07052	77.6
64.49923	19.8
67.05483	74.4
68.08069	16.8
71.08602	62.4
79.05494	25.4
81.03408	56.6
81.07030	81.6
83.08620	71.6
89.93700	17.1
91.05466	35.7
91.70975	23.1
95.04964	28.9
95.08588	49.1
107.08562	20.0
108.33465	18.3
111.08077	22.4
113.66772	20.8
117.49863	19.1
193.12273	64.0
211.13316	56.5
284.98047	21.9
292.58609	22.6
313.27563	28.8
482.75827	28.6
523.40222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.7
57.03415	20.4
57.07068	69.5
63.56760	10.9
67.05490	53.6
69.07048	19.1
71.08604	70.9
78.08900	11.2
79.05484	13.0
81.03408	100.0
81.07050	54.6
83.08606	55.9
85.02901	32.8
85.10181	27.6
85.26560	12.5
91.05459	32.3
95.04935	29.4
95.08582	50.7
102.89362	12.3
105.07034	27.5
107.08489	14.5
109.10141	31.0
117.07059	14.6
119.08576	19.6
129.07014	13.6
141.02606	15.2
147.11696	15.8
193.12209	73.0
211.13310	44.6
313.27380	40.8
411.42014	19.6
523.39795	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	19.3
57.07063	100.0
67.05482	46.9
69.07073	34.5
71.08636	51.5
79.05499	21.7
81.02995	18.2
81.03406	95.1
81.07066	36.1
83.08617	36.2
85.02887	37.2
85.10194	45.5
91.05489	64.0
91.71006	19.1
95.04976	42.6
95.08636	54.4
105.07024	22.3
109.10221	34.4
110.67235	16.5
115.81449	17.8
129.06981	26.0
175.11115	17.5
193.12315	37.7
211.13326	40.7
304.52448	23.0
417.08206	21.7
481.05939	25.3
523.39758	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	89.7
64.99927	51.8
65.68790	47.7
65.97635	41.6
67.05506	88.9
71.08585	42.4
73.12575	44.5
81.03391	100.0
91.35805	47.6
92.36206	51.8
95.04938	54.3
98.00932	53.4
101.40542	54.6
110.82186	51.5
121.10073	65.8
163.47937	58.5
169.93782	61.2
193.15152	50.1
200.66344	51.2
287.33075	56.2
365.16650	57.1
523.39227	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29753	1.3
57.03430	1.3
60.01003	1.3
65.41924	1.3
69.03397	4.0
81.03415	1.6
85.02906	10.1
91.05463	20.2
95.04962	8.2
97.02868	3.0
99.29173	1.5
110.23988	1.7
119.04933	24.0
121.06489	3.4
123.04424	37.5
127.03897	3.6
136.07574	100.0
137.05995	1.9
145.04921	3.4
147.04410	14.1
155.90790	1.6
165.05463	57.3
182.08122	83.5
400.09476	1.9
533.10577	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03593	3.8
51.69913	3.4
58.74211	3.2
58.88684	4.0
60.70704	3.4
67.05509	8.2
69.07069	5.2
80.68992	4.0
81.07044	25.7
83.05022	5.5
93.07050	5.9
95.08630	8.3
109.06537	12.3
109.10199	6.1
111.04502	15.2
119.08599	5.5
119.40245	4.5
125.06035	8.7
135.11664	5.6
137.05974	100.0
137.06921	6.6
147.11740	7.0
161.09625	7.3
203.17892	7.5
213.16342	5.8
231.17477	5.7
249.18546	7.6
277.17917	31.1
295.19177	15.6
351.21713	27.2
383.24207	34.2
414.18771	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05920	3.8
71.88968	3.8
84.04483	28.9
91.71653	6.9
94.06492	3.7
97.20562	3.6
121.06497	100.0
121.07328	7.9
130.05005	21.1
138.09167	18.8
141.71597	4.4
154.95920	4.8
172.30511	5.4
204.10188	7.1
241.08253	5.8
250.10823	7.1
267.13318	37.9
295.93826	4.7
346.96667	4.8
396.17624	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03645	52.1
63.04306	47.5
67.05492	82.4
73.34972	71.1
82.26478	62.4
91.71582	100.0
97.64068	60.5
163.94400	65.2
177.17676	81.5
201.02594	79.8
249.74817	67.8
358.35355	80.6
389.04834	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2668
Annotation	Ser Gln Tyr Lys
Peak:m/z	Relative Intensity
53.13601	9.5
67.47675	9.8
72.74993	14.1
92.53957	12.2
328.56088	13.5
525.26678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12304	19.2
67.05482	22.0
68.64880	19.2
70.06570	23.2
71.39275	18.9
74.14165	19.6
77.78678	19.0
80.69947	22.0
81.03436	34.2
85.06535	62.5
91.70969	23.1
95.08567	33.8
99.08071	100.0
102.79390	22.4
119.08602	34.7
128.81892	22.5
132.35138	28.7
146.01903	24.2
179.14430	24.7
179.47115	24.4
259.20551	71.0
271.10760	25.3
294.61417	23.6
316.71747	25.3
322.01236	25.1
384.76556	26.0
400.15289	28.1
412.43417	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88226	10.1
65.48611	12.9
67.05497	18.7
69.03417	30.2
79.12344	10.8
81.03424	22.6
81.07048	17.6
85.02893	22.7
85.06534	79.5
95.08633	23.0
99.08096	100.0
109.02879	14.5
109.10220	19.7
113.43654	13.7
119.08608	21.7
121.10132	15.2
127.03897	16.1
133.10167	16.7
137.09676	15.7
147.11708	22.6
170.80696	15.0
198.38383	15.2
259.20563	97.3
284.53076	15.1
437.88281	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	24.6
70.81874	15.8
71.32985	16.7
75.80979	16.7
81.03413	32.7
81.07024	18.8
85.02918	27.0
85.06536	73.3
91.71096	20.9
95.80183	18.4
99.08098	100.0
105.07040	29.1
119.08624	24.3
121.10163	30.3
123.81462	20.4
133.10121	22.9
184.84314	18.3
221.64609	21.2
259.20633	70.1
363.01236	25.0
411.11801	22.5
508.25137	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	20.3
57.03423	34.5
61.02908	51.8
67.05497	86.4
69.03414	41.9
69.07071	23.1
70.74661	10.3
71.01360	9.4
73.02903	21.7
78.75750	10.9
79.05492	33.5
80.77927	9.2
81.03407	21.5
81.07046	100.0
83.08613	20.3
85.02893	52.4
91.03954	27.1
91.05475	48.8
93.07028	70.6
95.04964	27.4
95.08575	66.3
97.02871	54.3
101.02379	24.5
105.07032	32.6
107.08617	34.8
109.02872	11.0
109.10133	29.7
119.08573	17.8
119.19283	12.1
121.10156	25.9
127.03863	19.8
131.08585	14.4
133.10172	22.8
133.73741	13.8
134.35216	11.7
140.85130	10.4
363.28946	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	16.3
57.03434	22.9
61.02909	41.1
67.05500	100.0
69.03413	40.5
69.07034	15.5
69.95442	12.4
71.04973	15.2
73.02895	18.2
79.05479	46.0
81.03388	26.8
81.07038	90.8
83.08571	14.1
83.98684	12.4
85.02905	62.5
86.69189	13.8
91.03941	17.0
91.05471	55.2
91.71653	16.2
93.07048	44.2
95.04945	16.8
95.08608	71.4
97.02881	64.2
97.06524	21.7
97.10199	13.4
102.76315	14.4
105.07029	21.1
107.08596	39.7
109.10175	37.0
114.19472	13.2
119.08572	33.5
120.31879	12.8
121.10139	33.4
127.03936	19.2
135.11729	21.2
149.13245	15.0
159.11684	20.5
224.72560	14.1
235.14711	15.0
236.53467	15.4
241.65135	15.7
243.68813	15.2
261.61975	16.4
271.24295	21.4
281.19504	14.5
350.06967	15.1
363.29037	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51079	25.6
57.07081	31.3
57.79504	29.9
67.05480	100.0
69.10161	33.1
73.27078	33.8
73.40048	34.3
81.07050	68.7
91.05464	78.2
93.07027	55.7
95.08575	64.8
105.07020	54.1
107.08512	40.6
110.17552	45.3
119.08556	46.7
129.07072	50.4
143.08542	43.9
145.10115	33.2
157.10095	51.1
159.10216	35.0
159.11588	33.4
164.08989	32.9
169.10089	56.0
195.11723	38.2
197.13371	42.9
248.95755	37.3
261.69940	43.9
431.91190	36.4
433.31036	65.4
525.35944	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99569	3.6
76.01820	2.4
76.02215	30.7
82.46365	1.3
83.23555	1.6
84.04489	8.3
86.56120	1.4
86.89822	1.2
91.71675	1.4
105.07058	2.0
116.01674	6.1
119.08576	3.0
121.10138	2.7
123.06993	1.6
125.72707	1.4
130.05009	3.1
133.10132	2.7
142.03242	1.7
144.01118	3.9
150.81528	1.3
161.13261	3.1
162.02176	11.2
176.74963	1.5
179.04834	19.9
203.14313	20.1
219.17415	100.0
220.17854	1.4
233.05923	4.8
250.95668	1.6
308.09088	29.9
322.98706	1.8
343.92023	1.8
448.52762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02595	2.7
55.30330	3.3
56.22532	3.4
57.03427	9.7
57.07067	38.3
57.39768	2.9
60.62779	3.1
62.00954	3.3
67.05495	32.6
69.07043	7.9
71.08636	23.2
79.05501	7.0
81.07050	14.9
83.08604	7.0
85.10160	10.5
89.06014	37.7
91.05474	100.0
93.07027	5.2
95.08597	10.7
105.07031	36.8
109.10115	6.4
123.11750	4.2
130.08647	12.5
133.08614	39.5
133.10118	92.1
151.11198	6.2
161.09641	7.9
168.44946	4.2
171.62187	6.0
239.15045	4.3
253.14377	35.5
253.66661	5.8
313.27353	87.8
327.20193	13.3
358.01163	4.6
491.37360	38.0
523.14490	5.4
546.02380	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1583
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
51.80559	2.8
70.95964	3.2
77.99722	3.3
83.36935	2.9
85.02927	3.3
94.07963	2.8
111.29817	3.3
118.53635	3.3
118.73141	3.5
185.04173	5.4
203.05305	11.0
209.80585	3.5
216.76945	3.2
347.09540	31.6
365.10431	34.2
527.15820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1584
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
67.26986	3.4
69.76304	3.8
70.67500	3.8
74.97161	4.0
84.73946	4.1
91.71014	4.2
97.98023	3.4
101.27039	3.8
110.67569	4.3
139.47223	4.9
149.04465	4.9
185.04292	12.7
203.05182	21.5
275.07608	4.8
347.09473	33.3
365.10498	46.9
527.15729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1588
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
59.15236	2.7
65.85711	2.7
85.02887	9.1
85.19829	2.9
128.17961	3.7
155.01913	5.0
184.04553	8.3
185.04372	4.8
203.05264	8.3
245.05284	4.4
248.22939	4.5
305.07355	3.8
334.43146	4.1
335.07950	4.1
347.09543	33.8
365.10480	39.9
527.15796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29420	12.1
73.36998	16.4
94.65968	15.7
95.24929	15.5
107.79749	17.4
325.46509	18.2
340.59866	18.8
425.84750	21.2
527.28076	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93719	20.1
55.01864	31.3
55.05495	28.5
55.54124	17.9
57.07056	20.8
67.05490	56.0
69.07043	21.9
69.67027	18.4
73.60976	19.6
73.75684	20.4
79.05492	22.3
81.07040	78.0
91.05453	51.5
93.07020	62.8
95.08584	54.7
105.07063	45.9
107.08591	39.0
109.10153	22.1
110.78720	19.9
119.08554	43.7
129.07007	21.4
131.08568	38.6
133.10123	29.6
145.10103	37.4
147.11659	27.7
160.70830	23.5
169.10168	28.0
171.11679	23.0
175.11166	25.2
230.49614	24.1
316.39374	28.0
334.96057	26.2
435.32437	36.1
513.43268	24.2
527.37317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52937	4.7
55.01845	8.7
55.05497	22.0
57.03425	14.2
57.07056	14.4
57.94307	5.0
61.61551	5.3
63.31661	4.9
65.83916	4.7
67.05500	52.7
67.72266	4.8
69.07059	21.4
70.75248	5.7
70.96358	4.7
71.04999	4.5
71.08624	8.9
71.91775	7.5
79.05492	33.7
81.07050	60.6
82.63419	4.9
83.08601	10.3
89.05983	6.2
91.05466	50.2
93.07042	45.6
95.04969	14.6
95.08583	33.1
97.06501	8.2
105.07030	46.5
107.08618	27.4
109.10151	20.2
117.07023	18.7
119.08582	32.5
121.10123	14.2
129.05513	12.5
129.07014	25.1
131.08543	31.9
133.10121	33.1
133.87949	5.3
134.07645	5.6
135.11678	13.3
137.09677	6.3
142.07814	9.1
143.08574	21.7
145.10135	27.3
147.08026	7.6
147.11662	16.1
149.13277	5.9
155.08583	13.9
157.10162	20.6
159.11697	21.9
169.10081	13.9
171.11714	18.2
173.13306	11.2
175.11177	18.0
177.11263	7.0
181.10161	11.1
183.11665	13.3
185.13225	10.2
195.11673	6.9
197.13297	14.1
199.14824	8.6
211.14798	8.9
213.16382	10.7
221.13153	7.1
335.25781	13.2
417.31497	9.5
435.32504	28.7
509.35858	15.7
527.37378	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	25.7
57.03429	11.5
57.07059	11.7
65.23720	6.6
66.04692	6.4
67.05492	58.5
69.07043	29.4
71.98454	6.6
78.54071	7.1
79.05488	39.7
81.07046	62.1
83.08603	14.9
84.49777	6.5
91.05475	62.9
93.07034	58.0
95.04935	10.2
95.06842	7.0
95.08598	46.1
97.06618	8.2
105.07045	57.5
107.08602	27.2
109.10136	20.0
117.07050	25.3
119.08570	55.0
121.10149	18.5
129.05435	18.8
129.06999	29.3
131.08528	44.8
133.10152	30.3
135.11668	14.6
141.06946	13.1
142.32416	8.6
143.08563	20.9
145.10168	32.3
147.11696	10.7
149.09755	9.3
155.08627	14.8
157.10124	29.0
159.11710	22.9
161.13203	11.0
167.08554	8.6
169.10139	30.7
171.11707	22.4
173.13211	16.8
175.11194	21.2
177.12714	9.7
181.10214	13.9
183.11719	28.4
195.11723	19.5
199.11273	9.9
199.14862	8.6
209.13240	11.3
210.43497	8.3
211.14905	13.4
227.14273	9.1
239.18068	10.0
240.86649	7.5
251.34459	8.0
417.31259	11.1
430.32379	12.2
435.32556	27.3
509.36447	18.7
527.37250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30466	4.7
55.01862	7.8
55.05490	16.2
57.03423	9.7
57.07057	8.6
66.54723	4.6
67.05498	64.9
69.07056	23.6
79.05482	26.7
81.07044	59.7
81.42442	5.7
82.48121	5.5
83.08605	9.8
91.05478	57.4
93.07034	50.2
95.04951	10.3
95.08605	55.8
97.06563	5.7
105.07024	62.5
107.08593	25.2
109.10139	19.6
113.80970	7.4
117.07042	20.8
119.08574	41.7
121.10155	13.6
123.11681	6.0
129.05455	10.9
129.07027	23.3
131.08559	40.2
133.10121	34.9
135.08043	8.2
135.11691	13.3
135.36415	5.9
141.07024	6.4
142.07767	9.0
143.08566	17.3
145.10153	24.6
147.11690	13.4
155.08598	17.7
157.10141	35.7
159.11708	20.3
161.13280	8.8
169.10146	24.3
171.11665	15.6
173.13223	12.9
175.11218	18.1
177.12772	11.7
182.49655	6.6
183.11705	15.0
185.13316	11.3
186.35582	6.3
187.14917	11.1
197.13292	14.6
199.14781	9.0
209.13309	14.8
211.14830	12.9
218.53943	8.1
223.14795	12.4
239.17992	6.2
246.32912	6.2
264.35538	6.5
310.25992	7.3
319.40161	7.3
335.25992	13.6
417.31760	8.7
435.32626	29.7
443.28275	8.4
509.35855	17.2
527.37103	100.0
546.39618	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47495	14.4
55.01857	16.8
55.05496	23.0
67.05483	73.5
69.07047	30.5
79.05467	24.5
81.07040	59.3
91.05474	72.9
93.07033	62.5
95.08592	66.3
105.07032	54.3
107.08571	40.1
117.07029	28.5
119.08604	56.9
129.06964	22.9
131.08575	49.9
143.08565	21.1
145.10147	20.8
155.08455	30.1
157.10150	26.8
159.11697	19.5
181.10068	21.3
195.11618	25.0
219.15666	18.5
239.73869	18.4
435.33142	20.4
518.42285	21.1
527.37463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24498	8.3
55.01862	19.0
55.05502	21.9
57.03432	26.0
57.07076	63.9
61.66183	9.8
67.05486	40.9
69.07066	24.9
71.08621	40.3
79.05491	23.3
80.64809	10.0
81.07045	28.6
83.04978	29.5
83.08620	18.5
85.10197	18.0
89.06056	19.2
91.70992	15.5
93.07050	46.1
95.08617	45.1
107.08615	33.0
109.10121	20.0
117.07095	10.3
121.10131	15.7
135.11699	53.3
145.10132	14.3
153.12749	23.8
163.11148	12.5
174.12151	11.0
181.12257	24.2
194.85098	10.9
209.35237	11.2
255.15871	100.0
313.27396	84.4
411.82498	13.2
493.38843	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96861	45.8
57.07042	57.6
61.98089	43.8
63.81017	50.9
73.30111	56.5
85.02900	100.0
90.22234	58.6
138.73671	61.2
145.10089	86.3
159.77487	63.6
172.76381	69.3
193.77641	64.0
238.81174	62.6
247.13420	68.2
263.16348	88.8
281.17630	67.9
327.92551	67.0
391.72424	77.9
476.85089	75.0
514.00836	85.3
542.01910	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	3.1
57.62852	2.4
68.16352	3.1
69.03412	4.7
69.07065	3.6
71.25687	2.6
79.05513	3.2
81.07030	5.1
84.04498	10.3
85.02897	6.2
86.06075	3.9
87.04465	21.6
88.19186	3.1
93.07000	4.4
95.08578	2.9
105.07014	3.8
107.08618	5.3
109.10136	3.4
112.02191	20.9
115.05800	7.2
119.08583	4.6
133.10130	3.8
135.08086	3.9
152.05276	6.7
161.09486	3.7
168.04784	10.1
168.08469	3.8
177.03404	5.7
180.04797	12.8
184.21330	2.6
185.03905	3.5
198.05824	61.0
207.10173	3.8
222.14835	10.5
231.04466	6.5
254.12076	100.0
254.27533	3.4
263.16492	10.3
280.13556	6.2
290.12341	3.8
297.16208	8.3
308.13232	10.2
400.19083	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	57.1
61.02854	41.1
67.05507	72.9
74.23866	37.5
93.07030	55.5
96.93517	41.1
105.07012	49.7
113.04021	44.8
119.08534	43.7
120.48298	43.6
133.10117	54.9
169.38924	45.4
172.93217	50.0
241.79695	57.8
275.19922	47.2
285.30466	55.6
293.20938	100.0
356.96878	62.7
367.24634	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46502	26.8
55.01853	53.1
55.05493	100.0
61.02918	55.3
67.05498	89.0
69.03413	69.0
69.48996	34.4
69.84468	30.5
79.05454	56.0
81.07038	62.0
83.04962	33.8
83.08607	60.0
85.02881	84.4
91.05499	53.1
95.04957	78.7
95.08590	68.7
97.10033	34.1
107.08575	56.0
116.05176	31.8
119.08540	49.5
121.10164	36.6
145.10127	43.4
149.09686	69.6
163.11108	50.7
179.67194	36.0
223.13293	76.0
233.17967	43.6
275.20062	100.0
300.70242	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90476	14.5
50.96045	12.7
55.05501	34.1
56.23407	13.9
67.05499	72.3
69.07061	38.9
77.54205	19.7
79.05489	32.2
81.07039	62.5
85.82197	16.8
91.05470	54.2
91.35668	17.4
93.07036	58.6
95.08606	62.0
101.48721	17.0
105.07035	93.3
107.08614	43.0
113.09560	17.9
117.07019	24.3
117.58443	15.7
119.08530	42.8
121.10129	20.1
122.64508	18.5
129.06996	31.5
131.08563	61.2
133.10139	48.6
143.08571	32.9
145.10178	26.0
145.77878	18.8
147.11703	25.6
150.75966	19.3
157.10132	37.8
171.11662	20.7
175.11183	21.8
222.49608	19.7
278.40338	21.2
360.33725	22.5
437.33994	50.5
511.37167	29.2
529.38885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	13.9
55.05497	27.9
57.03428	11.3
57.07058	9.7
67.05502	62.4
69.07045	18.9
72.46153	6.3
79.05470	33.1
81.07050	76.9
81.71628	5.9
83.04937	6.6
83.08633	11.2
91.05463	55.3
93.07033	53.1
95.08584	47.0
97.10143	9.5
105.07037	47.6
107.08593	22.7
109.10159	20.1
117.07040	27.6
119.08577	46.2
121.10162	20.4
123.11683	9.2
124.51887	7.7
126.46616	5.7
129.07025	21.3
131.08568	41.1
133.10132	42.9
135.11731	9.2
135.78317	6.1
141.07054	11.0
142.07658	6.6
143.08591	23.8
145.10133	33.9
147.11754	9.9
149.13200	7.8
152.41263	6.4
155.08546	14.6
157.10094	35.8
159.11714	23.7
160.55511	6.7
167.08562	9.8
169.10150	22.2
171.11713	22.9
175.11171	23.7
177.12863	14.9
181.10123	10.4
183.11731	13.2
185.13303	17.4
197.13254	7.8
201.16348	12.8
256.26343	14.8
337.27643	8.6
419.32800	10.7
437.33972	31.9
511.37607	24.6
529.38995	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24406	3.9
55.05504	25.7
57.03426	6.3
57.07053	4.9
57.47740	3.9
67.05498	53.0
69.07040	22.3
71.14366	4.7
79.05489	14.8
81.07053	37.8
83.08624	13.2
91.05473	35.0
93.07040	26.8
95.08591	27.6
99.08047	4.8
105.07024	27.0
107.08582	16.0
109.10153	11.1
117.07017	14.2
119.08568	22.2
121.10141	7.1
129.06993	11.2
131.08562	34.5
133.10172	12.7
141.07059	7.7
143.08528	11.3
145.10107	25.0
149.13213	7.1
155.31868	5.2
159.11714	9.4
161.13197	7.1
169.10178	9.4
171.11613	9.2
173.13231	6.3
195.11789	6.9
202.37393	5.6
211.14783	6.5
234.61060	5.8
301.83438	6.9
318.86078	6.9
395.51672	7.0
437.34195	19.7
455.34949	7.5
464.82666	5.9
511.37628	6.3
529.38824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17826	23.0
52.64321	18.6
55.05490	25.0
55.25689	22.2
56.05802	21.7
60.17121	25.5
61.39338	25.3
65.09857	23.7
67.05493	100.0
69.07037	43.0
77.50159	29.5
79.05466	26.3
81.07040	77.4
87.04462	31.7
91.05474	56.0
93.07032	47.4
95.08620	31.7
105.07040	55.0
111.17113	30.8
112.71996	33.6
119.08610	66.8
125.84945	26.2
131.08623	47.7
145.10139	63.2
149.13257	25.8
262.60730	34.2
293.76843	37.0
403.85397	30.0
467.14554	40.8
529.38672	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77370	28.0
54.97394	21.5
55.05493	32.2
57.05845	22.9
67.05490	75.9
68.82548	24.8
69.07050	50.0
71.27894	21.3
71.54694	23.7
78.39220	27.2
81.07041	69.3
91.05481	56.5
93.07018	50.2
95.08615	52.1
99.32601	30.5
105.07051	73.1
119.08589	36.0
131.08614	41.5
171.11696	33.8
175.11421	34.3
175.66496	38.5
529.38879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38602	4.4
53.92555	3.9
55.05506	22.0
57.03433	7.0
67.05492	48.6
69.07066	13.7
70.20616	4.7
70.31942	4.1
72.57248	4.6
75.91252	4.4
79.05488	27.5
80.41483	4.5
81.07044	51.7
83.08605	13.2
84.59032	4.7
88.12726	4.8
91.05000	6.0
91.05461	29.7
92.25768	4.6
93.07021	34.3
95.04973	13.9
95.08616	31.3
97.06541	6.7
97.11661	4.1
105.07014	35.3
107.08585	17.3
109.06584	5.2
109.10151	14.4
117.07033	14.8
119.08602	24.3
121.10153	17.3
122.29209	4.8
129.07019	11.3
131.08511	27.4
133.10162	16.6
143.08574	17.1
145.10150	21.3
147.11626	10.6
157.10120	15.2
159.11653	11.2
161.13319	6.8
163.14752	7.5
169.10165	9.8
185.13327	10.6
199.14879	7.9
204.00873	6.2
227.17963	7.1
334.16330	6.2
419.33005	7.0
437.34192	12.2
529.38763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81413	46.8
60.86883	46.0
66.84848	66.4
67.05492	53.6
75.95412	45.9
81.07045	89.2
82.83709	56.6
91.70988	100.0
95.08610	66.8
108.73819	59.4
114.07648	53.3
224.62767	68.0
553.32611	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	24.6
60.99023	16.5
64.32050	14.6
67.05489	65.2
76.32520	16.0
79.05493	31.8
81.07047	65.3
91.05477	51.0
93.07051	56.3
95.08596	28.9
97.10213	16.3
98.12324	18.8
105.07023	28.6
115.98492	18.8
117.07071	26.0
117.68637	18.4
119.08575	39.6
123.66808	17.5
131.08607	34.2
133.10155	22.3
145.10149	31.1
157.10107	28.0
161.13354	19.8
179.10500	19.1
239.40504	23.6
266.94083	20.7
301.55185	23.6
307.47803	19.8
337.27795	19.1
379.29285	21.8
437.34216	30.1
480.84180	22.4
529.39063	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58274	0.9
54.30474	1.0
55.05497	4.0
57.07060	6.5
61.63687	1.2
63.53643	1.0
63.62878	1.0
63.67469	1.4
65.03911	1.9
67.05496	9.3
69.07053	9.0
71.04962	1.7
75.18198	1.1
77.03910	1.4
79.05487	10.1
79.79462	1.1
81.07043	9.4
83.08611	8.3
85.02887	3.5
85.06527	2.8
86.09695	1.4
91.05466	16.0
91.70987	2.2
93.07037	42.3
95.04935	2.9
95.08033	2.4
95.08598	28.5
95.70410	1.1
96.89580	1.5
97.06519	8.2
97.10174	1.3
99.04442	2.1
105.07028	21.9
107.08582	90.8
109.06510	6.7
109.10162	18.0
109.83874	1.4
111.08074	9.8
115.05430	2.4
117.07018	12.1
119.08581	22.1
121.10135	31.8
123.08052	2.9
125.09614	1.5
129.07047	2.1
130.07727	1.5
131.08551	36.4
131.09491	2.1
133.10117	20.3
135.08023	8.4
137.78932	1.4
139.07509	5.9
143.08559	2.9
144.09293	1.9
145.10106	53.5
147.11684	7.2
149.09656	3.1
151.07478	1.6
153.09082	24.5
157.10136	3.0
158.10925	2.4
159.08000	1.8
159.11679	22.6
163.07520	17.4
165.09103	2.3
167.10666	5.5
170.10805	1.9
171.11633	2.2
172.12384	2.7
173.09563	2.6
173.13220	7.3
177.09097	14.8
179.10669	3.8
185.13167	9.6
187.11191	4.0
187.14799	58.3
191.10641	18.4
201.16350	9.4
205.12161	5.9
211.14844	3.0
229.15909	2.3
247.16899	100.0
279.93219	1.4
306.60461	1.6
374.28244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05492	3.7
57.03442	3.2
57.07067	3.2
67.05499	7.5
69.03418	12.6
69.07061	5.3
71.04977	7.6
73.02946	2.3
73.12225	2.3
74.08542	2.1
79.05489	3.4
81.03403	14.9
81.07041	11.0
83.08598	7.4
85.02895	32.9
85.06538	7.8
87.00809	7.3
91.05475	10.8
91.71713	2.1
93.07034	23.3
95.04964	4.0
95.08593	34.7
97.02876	11.0
97.04574	2.2
97.06538	4.0
99.04448	8.7
105.01832	13.5
105.07028	28.1
107.08585	41.7
109.02858	11.4
109.06490	5.1
109.10159	14.8
111.04499	3.2
117.07018	5.9
119.08572	37.5
121.09264	5.3
121.10132	100.0
121.82874	2.0
123.08049	5.6
127.03905	20.9
127.07552	7.7
129.06950	3.1
131.08565	26.9
133.10126	61.4
135.08090	5.7
135.11670	3.1
139.07538	4.1
143.08624	3.9
144.09309	3.4
145.04956	9.5
145.10112	64.1
147.11671	8.4
147.20070	2.5
149.09625	8.2
153.09103	13.2
156.39218	2.4
157.10121	4.5
159.02884	5.3
159.11678	49.0
163.07578	2.8
163.11089	4.1
165.09056	3.9
167.10658	11.1
170.10947	5.8
172.12540	3.0
173.09578	4.8
173.13260	5.9
177.09091	19.2
179.10692	5.0
185.13223	26.4
187.11201	10.2
187.14790	54.2
191.10661	20.4
201.16328	12.6
205.12239	14.5
211.14917	8.1
229.15915	10.3
231.04982	4.2
247.16898	99.6
265.17838	4.9
331.10818	2.7
403.23279	2.6
531.63501	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31094	16.8
51.82479	22.5
55.51995	19.0
57.74451	15.6
61.95678	19.4
79.10085	20.0
93.07030	38.2
95.08640	19.9
105.07045	22.7
107.08580	67.5
107.11712	16.5
119.08541	19.6
121.10143	49.9
131.08574	35.5
133.91318	23.8
140.21326	19.6
145.10155	61.1
153.09106	29.7
159.11755	30.5
181.01207	24.4
187.14864	59.9
201.16272	27.9
214.71626	19.9
230.12396	26.2
247.16945	100.0
308.95490	27.7
464.14273	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	18.1
67.05495	100.0
69.07070	25.4
69.20718	13.2
77.18121	10.8
79.05477	59.1
79.94474	13.1
81.07044	96.4
84.07931	12.8
91.05469	93.0
93.07032	90.5
95.08575	81.2
102.97495	11.6
104.96474	13.3
105.07034	97.6
107.08591	52.8
109.10152	36.9
117.07030	37.9
117.23599	13.1
119.08581	89.7
121.10146	44.2
129.06950	24.2
131.08569	44.6
132.03429	14.7
133.10126	49.0
133.65089	14.4
135.11649	31.5
137.24513	12.6
137.76260	15.3
140.19986	12.5
143.08563	22.3
145.10159	22.1
145.60638	12.9
147.11688	33.0
149.09612	14.9
149.13234	27.6
159.11694	27.8
161.13245	46.0
163.14835	23.9
171.11697	18.1
173.13243	19.4
175.14851	44.7
185.13214	25.3
241.19490	43.4
251.41618	14.0
259.20578	76.1
351.25314	16.0
356.07370	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57283	0.8
55.61944	0.7
68.57190	0.8
69.03404	1.3
70.06559	2.6
72.08149	1.4
73.36835	0.9
81.03396	1.0
85.02906	1.1
86.09693	2.3
91.05495	8.3
91.71570	1.1
109.02856	1.2
119.04941	20.5
127.34923	0.9
136.17345	1.0
147.04404	100.0
195.02867	1.0
229.91104	1.0
231.06609	2.5
411.64194	1.6
415.64731	1.1
492.10098	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58081	14.5
56.05026	15.7
58.70498	13.9
67.68448	15.6
69.07019	19.8
73.89350	14.0
84.04500	100.0
92.71999	17.0
102.05540	70.9
113.89532	16.6
120.24230	15.1
130.04991	18.4
162.92017	16.9
166.37579	18.8
208.20645	17.6
258.11697	20.6
435.07288	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3656
Annotation	Cordianol F
Peak:m/z	Relative Intensity
51.97155	6.9
52.70661	5.5
53.96629	7.0
55.94735	6.0
111.97604	6.2
204.38576	9.6
213.79593	9.8
356.11636	8.8
531.36670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	9.5
55.05494	28.4
57.03434	17.8
57.07066	13.1
58.25187	6.3
67.05500	54.8
69.07056	37.4
72.06334	6.4
79.05488	19.9
81.07045	59.0
83.04998	7.1
83.08599	19.1
91.05453	54.0
91.71761	12.3
92.74026	6.7
93.07047	32.2
95.08592	34.0
97.10164	10.9
105.07021	55.9
107.08581	12.9
109.10165	16.9
117.07034	11.5
119.08579	55.6
119.60194	8.2
121.10155	15.5
129.05449	11.0
129.06978	17.9
131.08577	31.2
133.10156	28.4
135.11629	8.0
145.10158	10.0
147.11696	24.6
149.13281	10.8
157.10120	14.5
163.72214	7.9
175.11185	100.0
195.97487	8.0
317.99808	10.2
339.28989	72.1
340.33118	8.5
439.35513	10.3
531.39575	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.8
55.05496	31.0
57.03433	11.9
57.07056	17.6
67.05484	74.9
69.07057	35.2
71.08608	14.1
79.05485	32.6
81.07050	80.8
83.04928	11.7
83.08600	22.4
91.05460	51.8
93.07021	46.3
95.08595	63.2
99.55265	12.6
105.07019	90.1
107.08582	14.3
109.10172	16.4
119.08574	49.2
121.10136	22.9
129.06982	18.7
131.08569	29.7
133.10165	26.4
145.91837	13.0
147.11693	39.9
175.11160	74.6
235.10898	13.0
251.97656	13.7
313.27328	17.4
332.66754	12.7
339.28732	42.4
396.31772	13.6
531.39740	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	25.7
57.07073	13.9
67.05482	60.7
79.05464	26.0
81.07043	65.9
91.05498	23.2
91.70989	25.6
93.02589	15.5
93.07025	44.0
95.08595	28.0
100.97912	15.1
105.07047	25.0
107.08610	20.9
119.08611	24.0
121.10125	16.3
131.08582	23.0
151.29112	15.2
211.74034	20.2
213.07841	15.3
236.61023	17.9
277.14572	17.0
531.40094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69068	0.7
57.03429	1.4
61.02905	2.1
69.03419	23.4
69.34545	0.8
70.06580	0.8
71.05000	1.1
72.08122	2.1
73.02920	1.2
73.18649	0.7
79.93477	0.7
81.03400	3.1
84.04482	2.1
85.02898	29.3
86.09698	2.7
87.04459	100.0
89.01151	0.8
91.71732	1.5
95.38433	0.7
97.02893	8.0
99.04452	1.7
105.05497	53.8
107.35294	0.8
109.02877	1.9
127.03914	6.0
128.07048	8.5
145.04939	5.6
146.08047	1.0
147.04497	1.3
155.07069	5.2
163.06029	0.9
173.08086	15.5
189.89362	0.9
191.09128	40.3
208.11777	1.2
260.11679	0.9
294.05493	1.0
368.89053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85918	2.7
60.08149	5.9
68.35889	2.8
69.60974	3.5
71.07334	3.0
86.09705	39.8
86.52276	3.2
102.39378	3.0
104.10707	6.1
109.59021	3.7
124.99973	17.5
125.07822	3.1
139.83688	3.9
184.07335	100.0
228.26663	3.2
270.92020	3.2
277.04990	3.8
277.70325	3.4
311.16394	3.9
411.11902	3.9
532.29535	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	17.4
73.57068	20.3
74.01691	19.2
83.62328	20.2
86.09708	61.1
104.10758	100.0
125.00034	36.4
138.61452	21.9
163.31268	21.2
168.67279	24.0
177.69545	21.4
184.07397	78.2
248.37123	24.1
249.48723	23.1
304.74374	21.5
331.26349	23.5
513.59448	26.5
555.31354	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	19.6
57.07061	11.8
59.79832	7.6
61.02895	11.3
67.05500	93.8
69.07055	21.6
77.67967	6.9
79.05487	52.9
80.81794	6.1
81.07047	100.0
83.08639	17.8
85.02871	10.0
85.06533	7.9
85.10166	8.2
91.05477	40.0
93.07027	82.9
95.08596	76.6
97.02902	7.8
97.06502	8.0
99.08081	9.9
105.07021	21.1
106.73820	8.5
107.08576	54.1
109.10152	23.7
111.43250	6.9
111.92550	6.7
117.06974	13.9
119.08572	21.7
121.10149	44.8
131.08577	39.4
133.10149	21.1
134.50732	7.4
135.11681	32.2
137.13272	9.2
145.10127	21.8
147.11723	13.9
149.13263	17.2
159.11705	18.0
161.13263	8.9
163.11261	11.5
163.14841	22.9
173.13263	19.3
177.16422	27.7
187.14729	8.8
233.22659	10.0
243.21100	50.5
255.41864	8.7
261.22150	78.1
335.25845	11.5
353.26831	20.9
444.13803	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83537	12.5
67.05502	97.9
69.07045	32.0
71.08582	10.4
79.05486	60.1
81.07047	100.0
81.63306	12.6
83.08595	26.6
84.41849	12.4
91.05464	52.8
93.07034	95.0
95.08585	86.5
99.08090	23.0
105.07040	22.8
107.08604	68.6
109.10157	32.4
119.08556	28.4
121.10130	49.3
126.70795	14.4
131.08549	46.5
133.10155	22.0
135.11708	38.3
145.10158	32.3
147.11674	26.7
149.13335	23.0
159.11702	18.2
161.13266	17.9
163.14818	32.5
173.13284	32.8
175.14832	22.0
177.16344	38.4
237.25526	16.9
243.21150	64.9
261.22125	90.3
335.25751	30.7
455.19052	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54358	3.4
57.07068	94.5
57.23592	3.0
61.65356	3.2
76.06091	4.3
80.63626	3.5
86.73705	3.8
87.04482	8.3
89.06021	100.0
89.06523	6.9
91.05508	13.5
93.07069	14.5
95.04964	7.9
118.07841	4.0
119.04952	5.4
119.08578	8.5
121.06493	54.7
121.10227	3.8
130.08691	12.5
133.08592	68.5
135.08051	6.9
135.10127	4.1
146.53929	3.8
147.08080	9.3
149.09613	6.2
165.09183	18.5
170.31689	4.7
177.11256	22.3
209.11798	11.9
214.45044	4.3
233.18942	22.9
277.21640	31.1
315.18228	4.6
321.24057	9.9
403.23337	32.5
470.52441	4.4
515.35840	27.6
532.37842	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81183	5.9
57.07051	9.6
72.41978	7.1
81.07043	11.8
89.06011	11.0
92.59206	8.1
95.08571	9.7
103.53545	8.4
110.01421	7.7
117.19025	8.0
152.27026	8.8
196.09401	9.9
436.06796	11.6
533.38135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	44.2
66.84388	11.5
67.05495	17.9
69.84683	12.0
75.32626	11.8
78.82348	13.1
86.09706	20.3
130.01776	60.0
148.02829	17.1
171.04417	56.4
174.00752	59.8
184.07349	62.5
192.01805	56.0
197.02368	100.0
210.06035	15.1
215.03499	42.2
216.01701	16.1
234.16969	17.3
238.04990	63.5
257.04291	20.4
258.02795	20.0
299.05447	18.5
341.32294	18.5
414.18002	58.6
431.12332	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37580	26.1
56.96556	38.7
62.71349	25.3
65.91632	24.8
75.24045	30.9
75.76349	27.4
77.50362	32.1
82.39617	28.6
82.64436	26.4
86.09737	48.0
86.32414	36.1
91.71021	29.6
111.36038	28.8
116.00208	54.1
125.33250	35.7
130.01706	46.4
133.15848	34.9
134.01248	63.6
140.00247	45.0
156.12035	40.4
157.02867	50.0
158.01254	66.4
171.04483	36.7
180.04503	66.2
181.02849	68.7
184.07301	64.4
197.02400	64.7
199.04034	54.0
207.04462	100.0
256.04910	42.9
274.06033	72.7
297.07648	67.1
352.70502	45.3
414.17938	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	11.5
60.33149	11.4
67.05492	20.7
69.21061	12.1
70.58928	13.4
79.05414	12.1
81.07049	17.9
85.10162	13.1
86.09686	25.4
105.07030	18.4
113.09621	18.3
130.01752	21.3
131.08594	18.7
148.02808	37.7
171.04419	39.3
174.00816	42.9
174.43376	15.8
180.73856	15.2
184.07320	54.0
197.02325	100.0
197.44028	13.8
215.03319	32.0
238.04948	48.3
257.04614	21.1
258.02798	15.9
301.21729	15.6
414.17950	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83689	14.2
60.08148	18.6
67.05486	13.9
80.39359	14.2
84.44340	14.0
86.09696	59.3
88.94430	15.3
112.66494	16.8
124.99998	28.7
184.07353	100.0
285.01685	21.1
342.72546	18.4
401.00153	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48833	1.2
56.39699	1.2
60.08154	8.3
70.83400	1.1
71.07372	3.4
86.09692	41.8
87.12287	1.3
98.98475	2.6
104.10732	3.1
115.20840	1.4
125.00007	22.9
130.90300	1.3
152.19351	1.4
184.07330	100.0
191.47157	1.4
341.44833	1.6
379.66470	1.6
506.91443	1.7
516.31311	1.5
534.31683	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19692	3.4
57.96607	3.2
60.08150	9.3
79.40533	3.4
86.09706	31.7
89.07906	3.3
104.10712	3.8
117.05375	4.3
125.00007	22.0
147.21301	4.8
184.07332	100.0
188.74350	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12613	3.7
54.48308	3.7
60.08151	17.8
71.07357	8.0
76.94518	3.8
86.09696	61.6
98.98463	6.8
104.10728	83.2
125.00014	28.2
171.51202	4.5
184.07335	100.0
251.83884	5.0
318.21332	5.0
377.16470	5.1
377.21832	5.1
465.82089	5.0
534.31775	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96546	0.5
57.43486	0.5
60.07900	0.7
60.08154	7.6
61.01617	0.7
62.02972	0.6
62.67116	0.5
71.07365	4.2
78.71730	0.7
80.39032	0.6
86.09701	42.9
91.05491	0.6
91.83129	0.7
98.98447	3.3
104.10742	4.0
104.76470	0.7
108.98264	0.7
116.03374	0.5
125.00006	22.6
166.02670	0.9
184.07335	100.0
245.90074	0.8
275.70798	0.8
321.95282	0.8
516.30493	0.9
534.31860	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39795	0.9
51.24067	0.8
56.05016	1.2
60.08153	8.4
66.36425	0.9
67.05502	1.1
69.62981	0.8
71.07355	4.1
81.07089	1.2
86.09697	34.5
98.98456	3.6
104.10711	4.8
124.99994	23.5
125.00804	0.9
141.03610	1.0
184.07335	100.0
185.07790	1.3
248.70760	1.1
264.57605	1.0
295.24393	1.2
312.99780	1.0
460.73154	1.1
516.30701	3.6
525.03845	1.1
545.42487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75873	3.2
52.60410	3.1
55.94771	4.1
58.57431	3.3
60.08149	18.7
71.07338	8.3
86.09693	55.8
101.97217	3.8
103.84060	4.5
104.10734	100.0
125.00011	29.4
160.10260	4.4
166.02472	4.5
167.64415	4.1
170.23380	4.9
180.80727	4.6
184.07317	73.3
272.57693	4.5
293.07712	4.8
498.29230	5.6
516.30621	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	9.4
62.49828	3.7
65.25076	3.5
69.03422	9.9
70.05506	3.3
79.02608	4.5
82.51733	4.4
86.09695	39.0
86.92351	4.1
92.76975	3.7
100.80430	4.2
104.10719	5.5
106.45754	3.8
108.62468	4.3
119.07263	4.1
125.00002	24.3
167.68739	4.0
184.07336	100.0
332.39789	4.5
400.88297	4.5
549.14935	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98925	24.4
67.05488	87.3
73.37195	26.8
81.07020	69.9
83.08115	33.8
91.05491	27.5
95.08610	100.0
115.19755	28.1
121.10243	27.8
121.15913	33.2
212.75458	32.4
258.32401	30.4
263.23621	41.6
337.27441	40.2
353.30801	48.6
377.56042	34.1
430.62204	42.0
461.55081	39.4
468.85425	33.3
517.94397	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2158
Annotation	piperaquine
Peak:m/z	Relative Intensity
70.71502	1.0
75.93940	1.0
80.60786	1.0
91.05458	1.6
93.07050	3.4
95.08635	2.6
97.43333	0.9
105.07030	3.5
107.08633	6.8
109.10125	1.8
117.07038	1.6
119.01972	2.4
119.08600	2.3
121.10150	3.9
127.00024	1.2
131.08582	3.5
133.10107	1.9
143.01877	1.2
145.10114	5.8
147.11592	1.4
151.39359	1.0
157.10204	1.3
159.11687	3.3
165.05074	1.6
177.09097	1.2
184.04523	1.7
187.14793	3.1
203.05276	2.0
210.02522	1.8
227.05397	1.4
245.06291	7.3
271.04361	1.3
289.05267	100.0
290.05762	1.3
300.20758	1.1
305.88751	1.3
310.16614	4.0
320.11142	1.6
333.80307	1.2
492.36020	1.5
535.21521	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2878
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
53.45380	4.3
59.68871	4.7
68.68417	4.9
73.57442	4.8
77.80444	5.0
96.12807	4.9
107.78629	5.3
128.78531	4.8
135.64372	5.3
141.19719	6.9
240.13249	5.6
241.99780	5.8
355.31052	6.2
385.88101	6.0
439.98218	6.8
447.82584	5.9
465.46188	6.2
535.28741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92427	6.2
52.82283	6.8
53.48504	5.5
55.27870	5.8
66.20197	6.5
70.89632	6.5
77.80888	6.5
81.07040	13.0
140.23505	8.5
169.86919	11.1
224.53105	7.4
535.39642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	34.5
66.65893	7.8
86.09705	7.6
90.94104	6.6
97.99185	8.1
98.97594	31.6
101.53432	7.0
113.19891	8.4
115.00667	8.1
116.98611	14.5
128.00710	6.6
133.01770	8.9
140.00229	22.5
181.02943	12.1
187.75652	7.4
214.17694	8.2
224.49109	8.7
265.11264	10.0
288.12537	11.9
289.11069	100.0
307.12149	15.3
330.13870	45.1
331.12366	16.4
361.13342	14.9
369.21289	8.7
409.15125	12.7
484.30896	9.1
494.79626	9.8
496.04788	10.1
527.84753	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62946	15.5
57.00856	16.7
85.02888	68.1
88.32489	19.9
91.71075	44.4
97.02885	25.3
145.02876	32.4
177.05473	100.0
195.06494	69.7
218.93770	22.3
326.66562	24.0
377.68924	28.4
427.99979	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09050	18.8
55.05508	32.4
56.66035	19.2
59.88800	21.3
62.06081	49.4
65.97301	24.7
66.32978	26.4
67.05488	100.0
67.19101	22.4
69.07043	28.3
74.51602	23.8
79.05470	27.4
81.07049	80.0
83.08611	37.3
91.05471	52.2
93.07025	55.9
94.15459	29.4
95.04960	60.6
95.08581	55.9
97.10202	24.8
98.78289	25.4
99.04507	25.4
107.08579	47.4
109.10158	36.4
113.06969	22.1
119.08595	43.5
119.44981	24.0
121.10178	41.6
132.68456	24.2
133.10126	24.3
134.79546	25.3
137.05016	23.9
155.01022	24.7
163.80501	34.9
182.00327	32.3
188.92706	29.5
233.15311	30.5
260.09259	26.4
303.23175	98.7
310.61230	31.8
321.24255	32.3
377.26764	83.1
395.27859	54.6
457.23212	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.6
58.06596	0.6
60.08159	9.5
65.94482	0.4
67.05488	0.8
71.07367	3.2
81.07019	0.8
86.09700	38.7
89.06544	0.4
98.98448	2.3
104.10741	4.4
107.40678	0.4
107.44379	0.4
113.31880	0.5
124.99998	22.0
125.50545	0.4
166.02657	0.8
184.07335	100.0
185.07661	0.6
199.48495	0.5
266.32898	0.6
455.80756	0.5
518.32373	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08148	11.0
64.86749	2.0
67.05495	2.5
71.07359	4.1
86.09696	37.0
101.89828	2.4
104.10136	2.4
104.10711	15.7
124.99999	21.8
126.79843	2.6
132.30957	2.8
138.73468	2.5
166.46158	2.5
184.07327	100.0
184.08946	5.6
245.20979	3.1
518.32202	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13408	4.8
59.14740	5.9
60.08166	10.2
64.48212	5.6
73.53468	6.0
75.01651	7.5
80.77522	5.2
83.85750	5.9
85.22920	6.7
86.09700	51.3
95.08593	6.8
97.52343	6.0
104.10784	23.7
125.00070	27.9
141.54880	6.3
143.47713	6.3
145.90581	6.9
184.07352	100.0
199.53279	7.7
245.00423	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73251	2.1
60.08148	7.5
71.07372	5.0
75.02254	2.1
86.09703	42.8
98.98463	3.2
104.10751	4.5
125.00008	22.1
137.29976	2.3
155.31027	2.4
184.07339	100.0
276.66550	2.4
304.33728	2.6
408.45993	2.6
464.51376	2.4
475.48434	2.4
536.33246	3.6
542.73517	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08142	7.6
71.07350	3.9
74.39223	2.9
77.06673	2.9
86.09693	34.6
104.10703	8.2
114.07374	3.4
124.99988	20.5
131.85443	3.3
184.07343	100.0
213.65437	3.1
377.51862	3.8
481.17209	3.9
536.32947	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64880	1.8
55.04406	1.8
60.08148	8.1
71.07352	3.5
86.09698	39.2
104.10728	7.7
124.99990	24.6
126.32304	2.2
142.10114	2.1
184.07326	100.0
184.08940	4.9
233.53156	2.3
324.35016	2.6
335.97375	2.4
484.98904	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54995	4.0
55.05503	41.7
57.03425	9.7
57.07064	29.1
61.02908	7.3
63.22925	4.4
67.05495	61.9
67.58192	4.6
67.89950	4.7
69.07056	86.7
69.33474	6.2
71.08617	22.4
79.05490	21.7
81.07045	83.8
83.08601	57.6
85.02897	11.7
85.10185	6.1
86.09687	6.2
91.71011	8.4
93.07037	29.9
93.27554	4.8
95.08592	57.7
97.06535	15.2
97.10165	37.8
102.45078	4.9
107.08582	34.0
109.10114	34.4
111.08092	7.1
111.11700	14.9
115.56436	5.6
121.10125	59.0
123.11694	11.7
135.11690	43.1
139.11191	9.4
149.13289	10.0
151.14835	6.3
163.14809	6.8
183.00684	5.0
187.33002	6.6
221.38556	4.5
247.24179	51.5
265.25232	87.8
283.26428	16.1
339.28949	100.0
357.30103	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81741	9.2
54.69405	10.6
55.05502	41.7
57.07062	25.9
57.37092	9.5
61.63376	11.3
67.05496	78.5
69.07059	91.4
71.08640	18.8
72.06053	10.7
79.05463	22.1
81.07047	75.3
83.08604	59.0
88.36568	11.2
93.07048	18.9
94.60378	12.1
94.92200	12.8
95.08589	88.0
97.06521	20.7
97.10172	40.1
105.83491	13.1
107.08614	29.2
109.10182	50.9
114.61569	12.2
121.10145	62.4
123.11757	14.3
135.11685	63.9
149.13206	21.2
165.16362	15.8
247.24252	53.9
255.80161	15.2
265.25281	100.0
270.71808	13.7
306.33759	18.3
339.28922	89.3
357.30084	24.1
403.43582	16.0
493.52362	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1797
Annotation	Ro 4927350
Peak:m/z	Relative Intensity
56.21109	1.4
58.12381	1.5
64.67272	1.6
70.06554	2.5
80.58460	1.5
85.02914	2.9
90.06792	1.5
127.03709	3.0
147.04460	2.3
177.05492	2.3
213.07188	2.0
289.08923	12.7
305.08365	3.2
347.09525	7.4
365.10626	5.2
375.12714	12.0
451.14078	10.5
537.17896	100.0
558.44415	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98201	39.5
54.33542	34.8
56.96559	63.0
57.31576	37.7
67.05515	42.4
69.61646	40.1
95.08618	78.1
95.67944	40.4
98.97613	81.6
100.27765	41.8
107.51488	41.9
116.98625	91.9
133.10124	58.3
133.71674	43.4
140.00203	100.0
143.38390	47.5
153.06100	44.0
158.01331	64.5
173.01346	54.9
181.02875	49.8
200.02269	62.8
214.03935	95.3
244.99733	71.0
564.42224	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	4.2
85.02886	3.5
86.09682	3.9
91.05466	4.0
105.07037	7.5
107.08597	4.6
120.01658	3.7
133.10097	5.7
136.12004	3.1
139.38327	3.3
145.10097	6.6
213.17030	3.9
247.76050	4.5
289.17731	7.9
289.51938	4.5
423.39825	4.1
451.23215	21.5
493.23853	43.5
537.23047	100.0
538.23346	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82963	4.5
53.21990	4.3
55.30431	4.3
91.71680	10.8
93.07005	8.2
108.68231	6.2
117.71931	5.9
118.21711	4.9
166.94322	6.2
193.73846	5.7
197.63879	5.6
537.30255	100.0
551.87134	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
53.17354	2.3
58.92034	2.3
66.72718	2.2
67.05487	4.6
67.80055	2.5
81.07019	2.9
89.23570	2.4
116.23212	2.7
118.18779	2.9
155.33727	3.0
156.97653	2.5
171.08214	2.8
174.77554	2.5
184.45465	2.6
184.82732	3.0
237.67509	3.2
409.55783	2.8
462.81805	3.2
537.30286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72079	1.3
61.85336	1.2
67.05492	1.4
71.56854	1.3
77.66521	1.2
83.01094	1.9
83.14175	1.4
86.63603	1.3
86.64215	1.3
88.30896	1.2
91.70986	2.1
104.10708	1.6
111.04170	3.7
127.03668	5.5
155.06804	1.9
161.31390	1.5
199.09421	2.9
206.28032	2.1
317.91199	1.7
492.49792	1.8
537.33954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	15.5
53.69383	13.8
55.05500	35.8
57.07066	66.1
67.05490	49.7
69.07078	24.8
71.08614	66.7
80.46343	14.0
81.03421	27.6
81.07044	97.1
83.08617	40.1
85.10171	20.8
91.05461	44.0
93.07048	42.4
95.08588	50.3
95.78734	19.5
96.22886	17.1
99.00848	27.8
105.07021	28.8
107.08580	25.6
109.02881	22.3
109.10159	26.5
123.11752	25.8
133.10150	61.0
151.11276	20.9
179.10605	20.3
189.09192	24.4
205.00398	17.7
225.11273	23.0
288.69315	19.8
370.69547	20.1
371.74240	19.1
537.37616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	39.9
57.07081	43.5
64.09299	36.5
67.05487	69.7
74.09698	58.2
77.76817	49.3
79.05476	74.4
81.07048	48.6
95.08630	41.7
104.15263	39.7
107.08589	44.2
189.04465	41.3
268.67670	53.5
281.17432	76.4
282.27939	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	8.6
58.99562	3.2
59.51676	3.4
61.01134	4.5
66.13920	3.4
67.05486	6.2
69.07059	6.8
70.06580	8.9
73.02948	3.5
74.00654	33.7
83.06126	4.3
84.04014	7.6
84.04496	100.0
85.02876	3.9
86.09704	6.5
88.04000	9.0
89.00603	5.5
91.15309	3.4
95.08604	40.8
102.05533	12.7
120.01163	74.6
122.02713	7.6
122.06026	7.2
127.05816	7.2
129.06584	5.1
130.04994	33.9
133.36195	3.8
133.70630	3.6
137.96614	3.2
140.01701	5.0
142.03270	6.2
153.01804	9.0
168.06577	10.8
169.03381	4.1
186.02225	14.0
188.03732	4.0
199.07214	3.9
216.10580	7.3
217.08806	4.5
244.09955	19.5
245.08345	4.0
249.05461	16.9
251.07027	7.2
259.09332	5.3
262.11066	13.6
263.09454	4.2
270.30820	4.0
271.65884	4.0
280.12131	46.6
291.57104	4.7
378.09589	5.8
409.16376	48.6
538.20490	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59772	4.7
60.08153	10.2
70.52683	4.3
71.07355	6.6
72.71365	4.4
77.09776	4.6
79.57323	5.0
82.75494	4.6
84.10889	4.6
86.09698	45.8
108.63802	5.1
108.81634	5.5
118.39280	4.9
125.00010	18.2
164.81905	7.3
184.07346	100.0
274.45587	5.8
433.83490	7.6
475.57230	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99575	12.0
69.73154	6.9
70.06573	8.2
72.13829	6.8
76.02225	18.4
79.03897	6.7
82.97307	6.6
84.04498	97.9
85.02892	10.1
86.09718	9.2
86.99025	13.0
105.00083	8.5
122.02734	83.1
130.04999	40.7
150.70291	7.9
153.01823	100.0
156.37207	8.8
170.26801	9.3
171.02892	10.0
179.73132	8.6
226.63638	7.8
233.40981	8.1
251.06950	74.3
289.06927	11.0
351.05273	9.0
450.39050	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99575	12.0
69.73154	6.9
70.06573	8.2
72.13829	6.8
76.02225	18.4
79.03897	6.7
82.97307	6.6
84.04498	97.9
85.02892	10.1
86.09718	9.2
86.99025	13.0
105.00083	8.5
122.02734	83.1
130.04999	40.7
150.70291	7.9
153.01823	100.0
156.37207	8.8
170.26801	9.3
171.02892	10.0
179.73132	8.6
226.63638	7.8
233.40981	8.1
251.06950	74.3
289.06927	11.0
351.05273	9.0
450.39050	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93266	16.4
69.70518	15.1
81.07114	24.2
109.56647	19.2
129.96487	18.3
149.32782	20.9
154.09517	18.1
157.70323	19.0
193.87914	17.5
194.94446	20.8
202.38765	22.5
225.73642	21.9
258.25003	21.0
278.01096	18.8
326.23779	24.3
405.63702	22.5
539.22931	100.0
569.05078	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01862	6.5
55.05507	2.3
57.03420	5.6
57.71413	1.6
61.02896	3.4
67.05483	5.0
68.99777	2.5
69.03076	2.5
69.03424	24.6
69.07063	1.8
71.04977	5.5
73.02904	4.0
75.70231	1.5
81.03407	25.1
81.07049	7.1
82.42210	1.9
85.02896	35.4
85.06523	2.5
87.00819	9.2
91.05489	6.2
91.71729	1.3
91.71925	1.4
93.06543	1.7
93.07049	11.4
95.04958	4.3
95.08579	8.7
97.02892	10.5
99.04461	8.4
100.83791	1.5
105.01868	8.0
105.07027	10.9
107.08575	5.1
109.02877	22.7
109.06525	7.6
109.10153	2.8
111.04446	2.3
111.08074	29.2
119.08578	9.7
121.06498	3.0
121.10155	4.7
123.08074	14.1
127.03915	23.3
131.08575	3.4
133.06502	2.5
133.10126	10.1
135.08055	8.3
137.09610	1.9
143.08664	2.7
145.04958	6.1
145.10117	5.3
147.08037	2.2
147.11685	4.9
151.07538	52.4
156.09431	2.8
157.10153	2.3
159.02896	9.5
159.08038	5.8
159.11594	1.9
161.09602	4.3
161.13210	2.9
163.11197	7.0
171.11711	4.3
173.09644	3.0
174.10321	3.5
175.11281	2.9
179.10710	7.3
189.12733	100.0
190.13116	2.4
191.14291	4.1
197.11716	11.5
197.13292	3.2
199.69893	1.7
203.14455	2.0
207.13788	34.1
209.28285	1.9
213.16339	2.7
217.12138	3.6
231.04968	4.2
235.13248	3.0
255.17384	3.5
273.18472	23.0
291.19476	13.0
455.18854	11.1
539.24713	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22096	9.0
54.13840	7.2
61.08622	8.1
62.88342	6.7
69.03410	34.8
81.03403	34.0
85.02895	25.2
87.00838	10.2
93.07045	13.7
95.08581	10.1
95.27912	8.5
109.02880	23.5
111.08080	50.0
119.08588	22.5
127.03949	19.3
133.05080	9.3
135.08098	13.7
143.80571	12.8
145.10081	12.6
151.07532	38.9
159.02922	13.1
189.12729	100.0
197.76231	10.3
207.13858	34.8
228.45877	9.8
229.81493	9.8
252.80109	10.6
273.18341	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	7.9
62.05832	6.7
69.03413	22.1
81.03407	26.3
81.07036	11.5
85.02890	26.9
87.00799	11.0
91.05453	11.5
93.07045	11.9
95.08603	14.5
97.02894	14.1
109.02880	20.8
109.06519	7.4
111.08065	41.6
117.88496	6.9
123.08099	9.3
127.03926	20.6
130.55765	6.9
138.50667	7.9
150.84013	6.9
151.07506	35.5
159.02811	10.5
163.11221	8.6
174.53873	8.1
189.12732	100.0
207.13797	28.3
221.56325	7.1
266.71768	7.5
273.18469	18.4
283.00198	8.0
349.25104	7.5
383.51880	8.4
455.19214	15.5
539.25220	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	7.1
62.01378	6.5
69.03432	25.4
81.03416	16.7
81.07051	13.5
85.02917	31.4
91.05468	9.1
93.07034	11.5
97.02931	15.8
100.25545	6.6
105.01882	7.8
105.07040	11.4
107.08635	9.6
109.02895	22.7
111.08073	39.8
119.08636	10.7
121.06544	9.8
121.10130	7.8
123.08050	13.5
127.03970	27.0
145.04948	12.0
149.79114	7.0
151.06537	6.9
151.07486	39.0
159.02986	15.6
165.76205	7.8
189.12715	100.0
197.11812	10.9
207.13882	33.0
273.18610	21.2
290.89352	8.4
291.19611	13.8
340.62869	9.1
455.19455	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95802	1.9
53.03945	2.1
55.01855	2.4
55.05494	2.7
61.02911	2.7
67.05488	5.1
69.03429	13.5
69.07743	2.3
71.04980	8.3
74.25392	2.6
79.05494	4.5
81.03421	6.8
81.07053	7.9
83.12342	3.0
85.02876	12.2
91.05472	14.2
91.70997	5.5
93.07035	23.0
95.04964	10.2
95.08579	7.6
97.02905	6.4
99.04441	20.4
105.07033	14.7
107.08601	14.7
108.39645	2.5
109.02892	3.9
109.06502	37.3
109.10152	10.2
111.08090	8.3
117.07017	3.8
119.08575	7.7
121.09262	5.7
121.10137	100.0
127.03910	7.9
131.08568	4.6
132.57420	2.2
133.06502	4.1
133.10123	4.8
134.92741	2.3
135.08054	35.0
139.11205	7.8
142.07808	5.1
143.08556	4.0
145.10126	17.7
149.09651	4.2
151.07538	43.0
153.09111	56.0
157.10123	7.1
159.08093	3.8
159.11714	6.6
161.09610	3.4
171.11716	7.4
173.09651	6.2
173.13229	4.0
175.11234	5.1
175.14905	2.7
177.09158	2.7
182.10800	2.9
185.09750	3.3
187.14801	6.4
189.12698	4.3
195.11642	2.9
197.13301	14.5
199.11275	5.6
215.14293	30.2
233.15347	19.4
238.86305	2.9
255.17377	17.4
273.18494	70.1
291.19534	70.7
314.42468	3.2
426.77151	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37375	2.5
52.96943	2.4
53.03939	3.6
53.45750	2.4
54.49830	2.3
55.01866	6.2
65.06468	2.6
67.05512	4.6
69.03430	10.0
71.05003	9.9
79.05520	8.6
81.03396	5.6
81.07076	5.1
85.02910	18.1
86.09721	4.4
91.05493	13.4
93.07040	20.9
95.04975	15.6
95.08616	6.7
95.69057	3.2
97.02936	5.7
99.04441	24.3
99.25660	2.9
105.01882	3.9
105.07063	12.7
107.08598	15.9
109.02896	4.5
109.06509	37.7
109.10159	8.6
111.08128	6.7
119.08540	7.0
120.08118	3.6
121.10141	100.0
121.10955	6.6
123.08128	5.9
127.03937	6.5
131.08591	7.0
135.08051	36.4
139.11267	3.7
142.07831	4.6
145.10133	15.7
151.07549	36.5
153.09109	64.7
157.10107	6.8
173.09644	4.3
187.14899	4.8
189.12788	3.4
191.10701	4.9
197.13391	9.3
199.11142	6.5
199.15120	4.1
213.16425	3.3
215.14334	29.1
231.17625	4.2
233.15472	12.3
255.17438	16.2
273.18454	64.6
283.95261	3.7
291.19556	65.2
479.80984	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96505	15.8
56.86397	14.8
57.03451	14.2
58.07477	14.9
61.23271	14.0
68.59020	17.7
69.03418	36.8
71.04984	18.8
81.03406	32.9
81.07066	44.7
81.35247	19.8
85.02878	44.1
87.00825	18.6
91.05481	18.2
93.07027	49.1
95.08605	41.4
105.07014	36.3
107.08596	48.6
109.06466	39.5
111.08064	46.2
119.08583	54.7
121.10137	33.4
123.08061	25.4
127.03937	32.2
131.08594	31.6
133.10138	23.4
135.08046	41.7
143.08583	22.9
145.10118	29.8
151.07527	60.9
157.10143	43.3
159.11630	23.4
171.11710	22.1
173.13277	21.4
179.10738	21.1
185.13232	34.9
189.12733	100.0
197.13304	18.3
207.13728	25.2
243.17215	23.4
255.17433	32.9
273.18503	44.3
291.19659	24.3
445.92358	22.7
539.24805	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22425	17.4
53.17647	16.5
53.98596	17.6
67.90306	19.8
73.56321	18.8
81.07088	22.7
92.41611	23.3
93.07064	31.0
118.07868	20.9
135.08002	100.0
167.10632	19.1
184.10829	22.7
186.51051	23.1
202.39551	21.8
242.21910	30.1
298.59955	25.2
326.90286	23.6
362.84879	22.1
496.50259	22.3
521.91028	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	11.3
55.57497	10.4
67.05489	20.9
69.03410	63.4
70.06600	20.6
71.04980	23.7
79.05493	16.9
81.03418	20.1
82.18870	12.1
83.04974	15.4
85.02895	56.8
85.06535	21.6
86.09654	16.8
87.00825	20.5
91.05470	26.7
91.71048	14.2
93.07034	27.7
95.04942	16.3
95.08598	36.6
97.02919	24.2
103.72429	12.1
105.01904	13.2
105.07021	28.0
107.08585	35.4
109.02863	30.4
109.06517	100.0
111.08058	92.7
117.07008	17.2
119.08572	46.2
121.10125	93.3
121.62365	14.3
123.08035	20.1
124.36634	15.7
127.03930	35.7
133.10130	23.8
135.08058	19.0
139.97417	15.8
145.10106	16.8
147.11697	16.3
149.09589	23.0
151.07573	46.6
157.10164	15.5
159.02959	26.6
163.11160	19.7
171.11732	25.1
189.12759	95.5
197.13345	22.2
207.13838	28.5
209.46022	18.5
213.16460	15.4
255.17358	27.2
273.18475	47.7
291.19403	29.1
447.99274	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	4.2
57.26146	3.1
58.89791	2.1
67.05492	2.2
69.27179	2.4
71.05005	2.2
81.07034	5.5
82.38060	2.3
83.02827	2.3
83.87938	2.4
91.70947	3.5
95.08581	3.3
108.56181	2.5
115.38823	2.5
160.29100	2.5
166.49184	3.1
211.82671	3.0
329.02026	3.0
471.09055	3.4
539.31885	100.0
539.39166	4.0
540.31946	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17470	47.8
76.30121	48.4
84.15266	48.7
88.28419	57.3
91.05471	61.1
93.07031	100.0
105.34830	52.8
130.77664	66.7
131.08553	82.7
142.68661	56.5
193.86075	59.0
236.31403	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36845	29.1
65.17730	31.5
67.05492	46.4
71.17114	28.6
79.05484	46.8
81.07047	86.7
85.03771	35.4
90.45684	33.7
94.14365	32.6
95.08652	35.1
100.26517	39.3
105.06980	45.5
116.21275	35.9
117.07071	45.0
118.32095	33.8
118.92930	42.0
119.18028	34.4
119.69548	45.5
122.20181	37.5
129.07011	48.1
131.08607	56.5
195.75206	38.8
341.50336	44.4
373.77997	51.3
377.26782	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87702	46.8
86.09719	69.7
93.07011	74.4
95.08575	71.9
116.55619	61.4
131.38593	70.0
195.25092	72.3
285.22156	100.0
311.45273	72.9
390.82846	68.6
487.98126	94.6
500.03476	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	27.0
57.07060	100.0
57.07316	20.1
57.08295	21.3
62.09159	19.2
62.22354	21.9
67.05483	65.0
71.08614	49.1
77.70335	23.7
79.05486	47.7
81.07046	75.6
83.08601	26.5
89.06014	39.9
91.05444	33.1
93.07066	51.2
95.08601	62.9
97.06516	28.8
99.04508	23.6
109.10102	33.6
111.04469	48.9
131.95355	24.0
145.10146	31.4
157.65237	24.8
163.11244	45.3
173.09509	27.0
181.12234	30.5
191.10831	27.3
221.40712	27.5
232.64018	24.9
397.93213	28.2
539.39233	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	31.9
55.05502	36.4
57.07077	81.6
57.18050	23.4
65.79832	26.7
67.05515	86.9
69.07083	40.9
71.08628	76.6
79.05511	42.9
81.07063	100.0
83.04991	53.8
83.08649	40.3
85.10198	40.6
91.05508	45.4
93.07030	57.4
95.04889	28.5
95.08613	99.7
109.10204	42.2
111.04446	34.3
114.48204	26.0
129.08665	29.5
135.11702	40.3
145.10185	58.6
146.20047	29.2
163.11208	56.0
181.12277	44.1
188.07179	32.6
191.10728	34.8
283.15582	49.2
539.39032	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	24.8
56.96562	36.4
57.07059	74.3
67.05488	100.0
69.07059	23.5
71.08628	52.1
79.05499	39.9
81.07043	85.8
83.08619	46.2
93.07026	54.3
94.25220	20.8
95.08598	67.1
97.41885	22.3
107.08628	24.5
111.04447	56.6
123.78469	22.3
135.11624	29.0
163.11125	46.6
163.85240	24.9
171.02948	27.9
181.12253	26.6
227.12741	41.8
273.55371	30.9
305.67371	27.2
345.13489	27.2
539.31427	64.4
539.39117	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	24.7
65.39550	11.5
84.09457	10.8
86.09686	14.5
104.10728	48.6
154.94131	18.4
172.95233	37.5
190.96370	18.5
195.96823	27.3
212.75375	12.3
218.98485	23.6
225.59160	11.0
228.97937	15.9
233.98392	16.0
343.19434	34.0
384.22137	21.0
479.18594	100.0
497.19818	45.0
520.21716	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60258	14.0
52.81614	13.7
55.05492	19.7
66.97620	15.5
67.04221	24.4
67.05476	16.8
68.87115	18.3
69.07065	23.2
79.11072	20.5
88.38470	16.6
95.23222	17.1
107.06068	50.6
114.80488	16.2
126.02458	30.5
127.03267	74.7
129.04842	28.8
169.04274	49.2
177.33572	20.1
211.68660	18.8
282.76288	19.8
308.29227	23.1
366.43307	21.9
469.97626	18.5
495.11011	19.1
496.39182	100.0
504.16180	19.5
532.13611	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74878	4.1
53.54676	4.4
55.05533	7.0
55.57172	4.5
57.07084	9.2
60.08167	22.2
61.26824	4.9
64.68159	4.4
67.04248	18.1
67.05504	9.2
67.08038	4.3
68.05038	7.1
69.07079	8.2
75.27496	5.1
81.07055	11.9
83.08627	9.4
91.70950	10.6
93.68768	5.0
93.79634	5.8
95.06036	7.0
97.06558	7.7
100.95521	4.7
103.81928	6.0
107.06060	44.4
108.06910	7.1
123.08217	5.4
125.01751	20.3
126.02523	24.2
127.03245	53.2
129.04898	23.1
141.04826	6.0
169.04297	54.4
228.11797	19.8
274.46088	6.3
310.85916	6.3
386.16296	9.2
437.32092	11.8
496.39203	100.0
550.80609	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88956	3.6
55.01879	3.5
55.05501	5.3
56.98244	3.4
67.05509	7.1
67.19740	3.5
68.86230	4.0
69.03439	10.5
70.06607	11.8
71.04670	3.9
71.04992	21.3
81.03423	8.8
81.07053	8.4
85.02918	12.8
85.06566	12.1
86.09711	4.8
91.05484	4.6
93.07066	9.6
95.04987	8.1
95.08633	18.3
96.61549	3.7
97.02940	6.3
97.06569	12.6
99.04449	100.0
105.07069	14.4
107.08578	5.3
109.06544	6.7
109.10155	8.2
118.00754	4.3
119.08626	18.2
121.10146	40.0
123.11722	9.0
127.03948	9.9
128.13206	4.0
133.10159	10.9
137.09656	7.3
143.08676	4.6
145.10179	5.5
147.11688	37.8
147.12614	3.7
155.10677	29.5
157.10135	12.1
159.11748	6.4
171.11740	6.1
175.11307	4.3
175.14838	8.4
191.24461	4.8
197.13402	6.3
199.14841	22.6
217.15979	11.4
239.17984	10.6
252.29187	4.6
257.19012	12.5
275.20175	18.4
293.21252	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	10.7
67.05492	32.8
69.03416	41.2
69.07046	10.4
81.03413	29.5
81.07051	46.5
83.04974	29.9
85.02905	63.9
85.06552	11.4
87.00806	14.1
90.91743	8.6
91.05453	15.7
91.42528	9.4
91.70989	18.3
93.07049	24.3
95.08582	29.4
97.02874	14.4
99.04455	20.2
105.01866	12.7
105.07020	27.6
107.08578	27.3
109.02905	21.7
109.06518	13.5
109.10169	78.6
111.08120	9.5
112.97497	10.2
117.06992	10.1
117.98573	9.5
119.08587	35.6
121.06530	16.0
121.10117	100.0
123.11723	43.0
127.03906	39.8
131.08586	15.0
133.10112	19.3
135.08057	44.2
137.09625	47.1
145.10088	17.9
146.94209	9.6
147.11673	15.6
149.09619	10.6
157.10117	13.2
159.11714	20.1
161.09636	14.4
173.13412	15.3
175.11212	46.0
187.11128	15.4
189.12791	11.6
197.13423	17.3
201.12726	92.5
206.84387	10.7
215.14355	16.0
219.13889	23.4
257.19028	92.1
269.38110	11.8
275.19980	93.9
293.21085	95.5
523.25232	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02515	3.8
58.85570	4.5
61.42255	4.5
64.22819	5.2
65.06320	4.1
75.85378	4.8
80.21471	4.3
80.27438	5.1
94.45283	4.4
164.13562	5.5
182.49400	6.2
282.20755	6.0
326.98456	5.8
541.33337	100.0
541.54285	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65969	8.0
67.04550	7.6
67.05486	15.3
79.61465	8.5
81.07049	10.5
81.46967	8.2
81.81818	8.6
120.58949	8.7
127.80656	10.5
162.25864	11.0
199.90117	9.2
262.28699	9.5
346.38986	10.4
463.04492	9.5
541.33484	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90899	30.2
62.17899	33.5
64.34010	34.3
64.56888	32.6
67.05501	74.2
69.03415	62.8
69.07059	33.6
71.20120	35.5
79.05490	40.2
81.07050	66.5
89.58508	37.3
91.05466	74.3
93.07053	100.0
94.38924	36.5
95.08641	76.2
105.07039	82.2
111.26078	47.0
112.95280	45.0
117.07005	59.5
119.08585	66.6
143.08562	54.8
200.00433	49.2
295.63577	58.8
341.15567	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79496	7.2
55.05507	19.8
57.03429	16.7
57.07062	18.5
57.60456	8.3
61.02914	11.7
65.55180	7.1
67.05496	92.1
68.10905	10.1
69.03395	12.5
69.07052	35.8
71.04971	9.9
71.08605	12.8
71.40701	8.3
79.05475	59.8
81.07042	100.0
83.08615	19.6
85.02873	15.8
91.05470	82.9
93.07033	89.8
95.04955	18.6
95.08579	64.4
97.02853	12.4
105.07021	81.9
107.08566	47.7
109.10143	22.3
117.07015	29.4
119.08556	63.5
121.10126	44.5
123.08074	8.2
128.06256	10.4
129.05455	9.2
129.07022	31.1
131.08583	40.7
133.10124	40.2
135.08060	10.9
135.11691	20.3
142.07761	10.6
143.08589	17.4
145.10098	23.7
147.11699	25.5
149.09621	18.7
155.82059	8.8
157.10086	16.4
159.11745	22.3
161.09662	16.6
161.13261	13.7
171.11676	35.2
173.69536	9.0
175.14784	15.9
185.13306	24.6
189.16382	11.8
203.17996	32.8
213.16246	12.7
245.22990	10.2
259.24207	11.7
269.22626	51.5
276.75781	11.1
287.23639	38.9
310.57913	11.7
379.28342	22.7
385.17896	13.0
541.32275	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97773	1.1
55.01869	1.8
57.03429	2.1
69.03421	100.0
70.06584	2.9
71.04973	1.4
71.85208	0.9
72.08125	1.1
81.03427	6.5
85.02892	12.9
85.03275	1.0
87.00824	2.7
87.04457	69.7
94.27444	1.2
97.02910	4.9
99.04463	2.4
105.01881	2.4
105.05505	19.8
109.02907	4.7
127.03899	6.8
128.07054	6.1
155.07030	17.7
159.02975	1.3
173.08092	22.5
173.09497	1.6
191.09134	31.2
215.42552	1.2
259.11777	14.7
277.12781	13.1
286.42786	1.2
335.63947	1.2
541.43378	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89240	3.1
54.43193	2.9
55.64507	2.6
69.03420	100.0
73.92024	3.4
82.06537	3.4
84.91355	3.4
87.04459	31.3
105.05502	8.6
131.97365	3.4
155.07059	13.3
173.08044	10.0
182.02676	3.6
183.85065	3.3
191.09187	11.2
217.48216	3.7
259.11792	11.6
277.12839	11.2
555.33142	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37603	6.1
55.05506	6.5
57.07058	19.9
62.49689	8.1
74.00658	16.6
83.08581	6.3
84.04494	25.3
87.50624	6.4
91.71655	12.9
100.02193	12.5
109.80725	6.4
113.91196	7.9
116.01688	18.3
130.04988	10.6
130.34578	7.5
137.09598	33.9
149.09427	7.9
153.03748	7.9
153.06619	7.3
162.02168	10.8
162.24223	7.3
169.06865	26.5
203.04892	11.4
225.13092	96.3
237.09595	9.2
267.14130	12.8
310.18347	22.9
314.52426	9.4
314.72345	8.4
340.12021	9.7
395.20007	100.0
396.18277	9.0
413.20996	42.5
467.22028	26.3
528.97662	9.5
561.73615	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25873	1.3
53.03938	1.6
55.05502	17.8
55.05718	1.9
56.05022	3.9
57.03430	15.0
57.03653	1.6
57.07084	4.0
63.05744	1.4
67.05494	46.5
67.05833	3.3
69.07060	27.8
71.05013	1.9
71.07356	17.9
71.08615	2.0
75.62106	1.5
79.05479	11.4
79.30724	1.5
81.07047	47.8
83.08598	14.0
86.09695	98.0
91.05482	11.0
93.07030	10.5
95.04946	1.6
95.08595	37.2
95.09146	2.6
97.06614	2.2
97.10205	7.8
104.10777	4.9
105.07037	5.3
106.05271	1.9
107.08620	4.9
109.06528	2.4
109.10132	14.4
111.08132	1.9
119.08634	5.0
121.10180	5.5
123.11738	4.0
133.10201	4.1
135.11684	2.1
137.13316	2.3
146.98172	100.0
147.11694	3.4
164.99261	1.9
167.39357	2.0
186.54219	1.8
188.00839	14.9
239.04994	1.8
337.27335	23.0
359.25620	7.3
483.24783	77.8
542.32135	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78138	0.4
53.42595	0.4
54.19558	0.4
60.07865	0.7
60.08154	11.2
67.05457	0.5
71.07351	3.6
79.05508	0.7
81.07034	0.5
86.09693	47.2
91.05499	0.6
93.07001	0.6
98.98454	3.5
104.10717	3.7
116.06492	0.4
124.99994	24.6
158.53712	0.5
166.02621	0.9
184.07324	100.0
185.07671	0.8
217.94850	0.4
259.24280	0.6
275.49500	0.4
366.42261	0.5
542.32172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91929	2.0
60.08165	21.2
67.05497	3.2
67.29242	2.3
68.78559	2.1
71.07356	10.8
77.33080	2.3
86.09708	60.4
87.77827	2.5
88.86863	2.6
89.08406	2.8
91.05474	3.8
104.10744	100.0
124.99999	26.5
172.49695	2.6
183.89597	2.5
184.07335	91.2
184.08934	5.8
189.15302	2.9
276.52020	3.0
317.47873	2.8
324.15454	3.1
524.32098	3.7
542.32239	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	59.4
68.93053	56.8
80.16916	46.9
80.87297	58.8
80.94619	49.3
81.07063	100.0
89.06049	93.2
91.71588	89.1
97.58179	61.3
102.00831	47.4
104.32528	46.8
108.23577	63.7
133.08533	71.6
139.37726	51.3
148.34210	60.6
149.09714	93.0
213.11395	65.6
276.22595	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62208	4.9
65.20029	5.1
75.91631	5.2
129.34056	6.9
173.88092	7.0
212.29910	7.1
242.91409	6.5
437.46664	7.4
470.72095	8.3
543.13110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93344	9.0
54.18380	8.6
58.73483	8.1
84.04451	10.3
103.15466	11.3
111.47818	10.1
160.52808	9.2
181.18880	10.8
182.78867	10.5
188.35338	10.0
189.03322	12.1
237.30045	12.4
243.98468	10.8
381.07938	19.8
543.13153	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	29.3
59.65707	19.5
65.96259	21.1
66.48508	22.4
67.05515	22.6
69.03419	33.6
69.07063	39.9
70.06581	61.0
72.08155	28.2
81.03399	27.7
83.01840	25.4
85.06541	100.0
86.09698	41.7
99.08086	81.4
107.08614	47.3
116.33920	23.6
119.08587	39.9
120.08064	30.3
121.10137	44.4
127.03924	31.5
133.10156	30.4
156.25758	24.6
239.33699	29.5
259.20596	58.5
264.40070	33.7
355.85272	31.3
375.70755	29.6
556.05560	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94554	12.6
55.05491	25.2
56.69406	11.9
57.07051	19.5
67.05491	100.0
69.07053	16.4
70.05734	11.6
71.64864	10.5
77.82664	12.2
79.05466	39.1
79.16241	11.4
81.07042	84.9
81.62050	11.0
91.05466	52.7
93.07026	68.6
95.08597	76.1
105.07033	38.3
107.08603	37.2
109.10168	21.2
117.07069	18.0
119.08553	15.0
121.10127	24.2
128.91467	13.2
131.08574	21.0
135.11641	16.5
145.10165	20.7
289.25244	31.7
395.14371	17.4
532.96252	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93691	9.9
55.01878	11.1
55.05519	31.0
57.03449	21.0
57.07070	9.8
65.84067	8.8
67.05501	64.4
69.07063	21.0
69.48346	8.0
70.38422	8.8
76.90410	8.4
79.05515	31.9
80.10365	9.1
81.03399	27.4
81.07037	64.3
83.08635	11.1
89.76654	8.2
91.05469	100.0
91.70952	19.7
93.07077	21.2
95.04984	20.7
95.08632	37.1
105.07053	27.8
107.04963	17.8
107.08636	14.8
109.10194	11.7
115.05527	19.5
117.07059	42.1
118.28801	11.7
119.08617	38.9
128.06268	44.2
129.06966	80.2
131.08623	13.8
143.08621	43.9
145.06525	23.7
147.08115	34.3
161.09660	41.9
171.08142	35.7
189.09172	34.4
263.12964	22.5
337.27484	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	19.9
63.81263	10.9
67.05490	90.8
69.07054	48.0
79.05492	26.3
79.39670	14.3
81.03423	24.3
81.07040	61.0
83.08597	28.3
91.05466	100.0
91.05948	12.3
93.07037	46.1
95.04957	22.6
95.08594	52.8
105.07021	44.5
107.08573	19.0
109.10149	19.4
117.07027	46.4
119.08559	50.0
121.10192	14.2
125.74077	17.4
128.06223	40.4
129.06978	90.6
131.08553	23.1
133.06519	18.3
137.63319	12.9
143.08562	54.5
145.10104	16.4
147.08064	23.6
151.68367	14.1
157.10187	14.2
161.09642	42.9
166.26947	17.6
171.08035	27.2
189.09091	30.9
224.99133	14.3
242.42677	14.9
337.27216	65.7
349.21484	14.3
462.49066	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	12.6
55.05496	32.6
55.22776	10.3
57.03421	15.9
60.42538	8.9
67.05508	86.5
69.07050	39.3
79.05475	41.8
81.03406	36.4
81.07052	74.4
83.04945	15.7
83.08609	21.4
89.30443	12.0
91.05458	79.2
93.07033	35.4
95.04962	16.9
95.08595	47.7
105.07027	35.2
107.04960	21.4
107.08580	16.7
115.05432	15.3
117.07021	40.0
117.14119	12.0
119.08592	43.8
128.06248	43.4
129.07013	100.0
132.03723	10.8
143.08551	58.1
147.08070	24.6
160.84308	12.1
161.09634	39.9
171.08040	42.1
184.07379	16.1
189.09106	52.3
190.03650	12.9
209.78203	13.4
263.12680	19.9
337.27267	58.4
424.04269	13.1
525.35199	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84391	2.8
50.95084	3.1
57.03415	5.9
59.20723	2.9
64.87933	3.2
69.03421	22.4
70.06573	4.0
72.08109	3.9
75.24754	2.9
76.48175	2.9
81.03427	6.9
85.02886	7.3
92.17255	4.1
97.02872	4.3
99.04454	9.3
111.27258	3.4
124.03471	3.6
132.70004	3.5
147.09409	3.4
150.40361	3.3
161.09528	8.4
162.10260	67.2
162.80344	4.0
174.10217	5.2
175.10992	4.8
186.10341	4.6
196.18295	4.4
204.11475	12.7
209.21150	3.9
218.12881	4.7
230.12831	6.2
260.13986	12.0
278.14987	8.0
285.74051	4.0
296.16003	7.0
302.68182	3.9
320.15887	10.4
338.17139	46.9
382.16092	7.7
500.22339	12.6
544.21283	100.0
552.41315	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35674	1.7
51.79017	1.8
53.03929	1.9
57.03415	5.1
61.02921	3.3
68.95243	2.2
69.03424	14.5
70.06577	3.7
70.13736	1.7
71.04968	3.4
71.20763	1.8
72.08137	4.4
73.02915	3.2
73.74385	2.2
81.03403	6.2
85.02895	12.7
86.09709	3.3
87.04449	4.9
97.02879	6.7
109.02854	4.3
114.89111	2.2
126.61655	2.4
138.90347	2.1
147.04431	4.8
147.07982	2.6
147.09181	4.0
150.73146	2.4
161.09465	10.1
162.10249	68.5
174.10268	15.8
175.11050	4.9
180.86272	2.6
183.14851	2.4
186.10220	8.9
204.11330	14.4
212.11954	4.6
216.11296	3.6
230.12900	6.5
234.12457	5.3
242.12880	3.4
243.01146	2.6
248.13928	3.5
260.14026	18.1
262.15591	3.5
278.14935	9.7
296.16098	13.8
320.15997	12.9
337.48050	3.7
338.17078	71.1
358.79156	2.7
380.18216	3.1
382.16165	8.8
461.11298	2.5
500.22351	20.2
544.21307	100.0
545.21442	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08141	8.0
63.80677	2.8
64.84235	2.6
71.07361	4.7
74.70084	2.4
79.99322	3.0
85.39931	2.9
86.09692	42.7
125.00015	19.5
125.97251	2.8
184.07321	100.0
211.19060	3.3
373.01648	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16679	2.0
55.84702	2.4
57.93274	2.6
60.07925	2.1
60.08156	21.7
62.22979	2.4
71.07365	8.4
86.09698	54.2
87.23160	2.9
104.10732	100.0
104.11397	6.6
120.50186	3.4
125.00007	22.9
141.21344	2.9
184.07323	74.9
284.89807	2.9
387.19189	3.2
391.55566	3.4
526.32861	4.5
544.34259	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36529	1.5
55.61349	1.1
56.05011	1.4
60.08166	11.1
61.59692	1.4
67.33058	1.6
71.07375	6.6
73.32362	1.5
86.09702	49.5
95.05004	1.8
98.98460	4.0
104.10742	19.3
125.00005	26.0
130.11710	1.8
135.71432	1.8
184.07343	100.0
194.10443	1.7
294.45596	1.9
310.64792	1.9
409.74704	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58114	26.0
67.05490	71.4
69.07071	22.5
79.05481	39.0
79.38866	25.2
79.99529	24.4
81.03407	25.5
81.07051	90.7
91.05478	34.3
91.71593	31.0
93.07052	100.0
95.08600	33.3
97.06516	22.9
107.08621	43.4
118.46757	27.3
127.87547	24.1
172.13196	25.6
179.14340	57.6
216.97128	30.0
262.54910	26.5
277.21268	39.2
352.51425	28.4
356.28323	27.2
367.87460	29.0
389.22379	26.8
545.39246	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94298	5.0
53.00305	7.0
53.53477	4.8
55.01866	6.9
55.05501	23.9
56.75667	5.3
66.75701	6.4
67.05498	83.3
69.07047	29.8
71.08631	38.7
79.05480	38.0
80.57801	5.9
80.77457	6.2
81.07043	100.0
82.58505	7.1
83.05002	9.2
83.08592	16.9
91.05479	50.5
93.07034	56.9
93.10478	6.3
95.04951	14.2
95.08601	37.0
97.06517	8.7
99.08070	13.1
105.07014	22.1
107.04925	9.8
107.08598	33.8
109.10160	19.1
119.08569	17.7
121.10157	25.1
131.08516	7.4
133.10139	11.0
135.11691	26.9
141.43921	7.8
147.64069	7.9
151.11188	15.1
159.11734	7.7
179.14267	74.3
220.22079	8.8
224.63916	7.7
239.39479	8.2
277.21637	43.9
351.29132	8.6
545.38971	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58114	26.0
67.05490	71.4
69.07071	22.5
79.05481	39.0
79.38866	25.2
79.99529	24.4
81.03407	25.5
81.07051	90.7
91.05478	34.3
91.71593	31.0
93.07052	100.0
95.08600	33.3
97.06516	22.9
107.08621	43.4
118.46757	27.3
127.87547	24.1
172.13196	25.6
179.14340	57.6
216.97128	30.0
262.54910	26.5
277.21268	39.2
352.51425	28.4
356.28323	27.2
367.87460	29.0
389.22379	26.8
545.39246	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.9
61.96271	11.1
67.05497	100.0
69.07057	34.3
77.66908	11.6
79.05481	47.4
79.45177	14.2
81.03395	41.0
81.07052	79.5
83.08619	16.7
91.05466	58.0
93.07037	49.1
95.04959	16.9
95.08592	42.8
97.06508	16.2
103.95743	13.0
105.07032	27.0
107.04977	31.9
107.08611	39.0
109.10152	19.5
117.07021	29.8
119.08591	28.7
121.10131	18.9
131.08598	28.9
135.11681	26.5
145.10158	52.0
150.40190	14.5
155.33438	14.1
163.11165	58.9
173.09615	37.7
191.10634	34.7
265.14261	24.5
326.47586	16.4
337.27542	29.6
376.55505	15.6
385.62061	15.9
527.37012	42.0
569.51215	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	26.5
59.91104	23.7
64.33137	29.5
67.05486	100.0
69.07064	40.3
71.62831	26.0
72.85023	26.5
75.75795	26.2
79.05499	60.2
81.03405	26.6
81.07069	63.3
83.08607	36.0
88.97473	27.5
91.05467	64.4
93.07021	34.7
95.08592	38.1
107.08583	58.9
172.29659	37.4
173.09862	36.7
207.09741	30.9
227.84857	34.5
256.70209	33.5
408.07626	32.5
421.12595	37.8
432.34885	35.3
451.95099	43.4
492.29224	38.7
545.40308	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	26.5
59.91104	23.7
64.33137	29.5
67.05486	100.0
69.07064	40.3
71.62831	26.0
72.85023	26.5
75.75795	26.2
79.05499	60.2
81.03405	26.6
81.07069	63.3
83.08607	36.0
88.97473	27.5
91.05467	64.4
93.07021	34.7
95.08592	38.1
107.08583	58.9
172.29659	37.4
173.09862	36.7
207.09741	30.9
227.84857	34.5
256.70209	33.5
408.07626	32.5
421.12595	37.8
432.34885	35.3
451.95099	43.4
492.29224	38.7
545.40308	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50677	3.0
53.03945	5.4
55.01868	6.2
55.05493	12.8
55.77202	2.8
56.74566	3.3
67.05465	4.6
69.03415	18.6
69.07055	5.0
71.04977	4.9
79.05470	5.4
81.03416	10.3
81.07030	9.4
83.04977	4.8
83.08604	18.7
85.02894	39.6
87.00802	8.4
91.05464	5.7
91.71589	5.5
93.07018	11.6
95.08583	13.7
97.02885	9.2
97.06516	9.0
99.04428	25.2
105.01856	10.1
105.07045	17.7
107.04954	4.3
107.08576	24.3
109.02882	10.6
109.06517	10.0
109.10139	10.1
113.09601	4.1
119.08583	31.2
121.06506	4.2
121.10141	17.2
123.08023	6.0
123.41682	3.9
127.03899	23.2
131.08586	4.4
133.10095	25.4
135.08057	14.7
135.11674	8.3
137.09647	6.2
143.08568	7.7
145.10138	15.6
147.08046	11.0
147.11713	7.7
153.09119	5.7
155.10663	10.6
157.10098	10.4
159.02835	5.6
159.11713	12.2
161.09634	23.4
161.13322	4.6
163.07530	6.6
175.14809	22.4
179.10672	7.5
181.08583	10.3
185.13330	9.5
190.02567	4.2
193.08530	3.9
193.15883	10.3
199.14853	4.2
203.14320	6.8
205.12218	7.0
207.10168	34.0
221.11806	5.9
221.15405	9.7
238.25266	3.8
245.15282	25.0
263.16391	100.0
279.15604	5.5
281.17465	61.1
393.42358	4.5
493.20523	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04704	9.7
52.80073	10.3
56.96553	55.3
60.18919	10.5
72.14243	13.4
86.28040	13.8
87.40837	11.5
91.02441	12.9
97.99204	24.6
98.97597	19.6
103.10500	13.6
116.00215	28.9
134.01262	20.7
139.01779	27.6
140.00198	25.1
141.57333	15.3
157.02858	35.2
158.01282	59.8
176.02319	49.3
180.04480	31.3
181.02835	100.0
199.03909	70.7
200.02267	85.3
218.03349	21.4
222.05539	47.2
223.03923	59.5
241.05028	39.5
242.03365	28.3
260.04507	18.5
261.59241	15.4
283.06012	33.6
362.94696	15.1
441.33856	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10309	5.6
53.17574	5.5
56.21025	5.9
57.03432	5.2
63.02514	7.0
67.05486	10.4
69.07058	12.2
71.08613	8.2
78.59594	6.0
79.05489	6.9
81.07047	15.6
85.94579	7.1
93.07059	6.3
95.08610	17.4
96.05758	7.1
105.07047	8.7
107.08580	9.8
109.06544	9.1
109.10168	8.9
119.08569	9.6
123.08112	14.7
135.08044	10.4
146.24495	6.6
179.14290	21.3
192.74709	7.3
215.21255	7.4
403.72983	9.7
405.29965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24336	11.5
53.06010	11.7
69.07059	16.3
73.99120	12.6
76.11182	13.5
81.07056	25.5
83.16342	13.7
86.41217	15.2
86.77749	13.9
88.75847	13.3
95.08612	19.3
96.02443	15.3
119.08544	17.9
120.08077	15.7
120.26331	16.0
121.10117	14.6
128.49680	17.1
133.10179	25.8
147.31483	13.3
161.27892	16.6
245.95892	15.6
349.00616	19.5
405.29947	100.0
540.02917	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.1
56.05013	1.4
60.08156	21.4
62.08793	0.8
67.05495	3.3
71.07369	7.9
79.05488	1.9
81.07050	3.0
86.09695	60.9
93.07024	2.3
95.08593	3.1
98.98463	5.0
101.08025	0.9
104.10736	76.8
105.07007	1.4
124.99998	32.2
136.39122	1.2
166.02684	1.3
184.07332	100.0
324.79776	1.3
352.31833	1.2
352.43527	1.2
528.34418	3.2
546.35510	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.9
59.78292	1.0
60.07904	1.0
60.08154	8.2
71.07357	3.9
86.09697	47.3
92.22821	1.1
98.98446	4.0
104.10748	3.6
124.99120	2.2
124.99995	23.7
141.40941	1.1
148.04987	1.2
165.26930	1.6
184.07333	100.0
421.72516	1.5
440.78214	1.4
546.35651	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
56.05030	1.5
56.75985	0.9
58.06603	1.1
60.08163	19.7
62.92042	1.1
67.05486	3.4
69.07074	1.1
69.53981	1.0
71.07352	6.9
71.31719	0.9
72.94408	0.9
79.05482	1.9
81.07043	3.1
86.09700	62.1
91.05566	0.9
93.07050	1.3
95.08561	1.6
96.28770	1.0
98.98481	5.4
104.10741	100.0
105.07024	1.1
116.24631	1.0
125.00002	27.1
160.11848	1.3
184.07346	73.7
186.79935	1.1
216.59651	1.2
256.80975	1.3
314.52692	1.5
451.95850	1.4
528.34515	3.6
532.60278	1.3
546.35620	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08148	15.4
71.07359	9.0
73.53867	4.0
75.56941	3.9
86.09698	64.7
93.07034	4.9
101.88237	4.0
102.54889	4.1
104.10740	100.0
105.01067	4.3
114.24509	5.1
115.39317	4.8
117.07140	4.8
125.00033	22.1
145.88550	4.8
157.23804	4.5
159.97377	4.9
184.07333	92.5
208.76659	4.7
233.23711	5.7
344.03610	4.6
347.51849	4.8
363.29453	5.1
509.10315	5.5
522.39056	6.2
528.34674	7.2
546.35553	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08623	100.0
85.08952	29.6
89.06020	94.6
90.21054	33.3
91.05473	35.9
105.07019	32.1
121.06568	32.8
133.08542	41.9
172.02463	34.8
251.74945	32.3
271.45621	43.8
339.73026	37.3
340.07501	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	15.1
72.08147	10.6
86.09702	6.9
91.71648	4.3
111.79506	4.3
127.03710	7.8
210.92570	4.3
213.07358	5.3
214.05537	4.2
231.38393	5.2
299.10703	5.1
331.09949	17.1
373.91083	5.0
417.14038	10.1
503.17325	23.6
547.16241	100.0
547.24127	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87579	3.8
64.17534	4.9
66.71522	4.6
70.06595	4.9
127.03701	11.9
136.56837	5.2
138.09166	11.4
139.75230	5.0
207.13486	5.6
289.08984	31.1
373.95282	6.0
375.12393	25.7
389.06812	5.7
414.21780	6.2
461.16507	9.6
547.19873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98393	5.7
52.98910	6.0
53.20159	5.6
55.05511	6.1
56.05015	11.7
61.88963	6.2
64.88312	6.7
69.07069	7.5
79.05540	6.9
79.50636	7.5
81.07050	26.4
83.20361	6.3
84.04496	100.0
91.71575	10.0
93.07056	12.3
95.08601	34.3
97.06562	9.4
102.05544	64.2
105.07025	17.1
107.08609	15.8
109.10152	16.0
119.08590	19.2
121.10149	8.6
125.06023	32.3
125.09640	11.3
130.05020	29.0
133.10152	18.2
137.09633	10.4
139.07510	19.3
147.11684	11.3
148.06061	28.4
148.91830	7.5
157.10089	11.4
159.00307	8.3
177.12744	10.6
189.16341	39.5
199.14874	12.2
203.59792	8.5
217.15880	34.2
235.16861	53.1
253.17973	12.9
258.13043	8.1
336.21713	11.1
364.21594	9.7
382.22473	43.8
382.26578	9.0
511.26514	16.7
529.27545	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3609
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
55.01773	11.7
55.94579	10.5
67.05491	28.7
68.46547	12.9
78.66678	12.3
79.05469	12.0
81.07040	19.0
82.16022	11.9
94.34400	11.8
109.10228	14.3
117.23048	13.1
178.41675	14.6
203.31558	15.6
215.14392	13.6
547.36035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.3
56.05025	7.0
59.77390	2.7
66.35323	2.7
67.05521	7.6
69.07055	4.4
73.67519	2.7
75.22511	3.0
81.07034	9.9
82.69984	2.9
90.60996	3.2
91.71002	3.2
92.05959	3.0
93.07038	3.7
95.08591	6.3
121.04211	3.4
129.04620	4.4
210.18533	100.0
214.54117	4.7
227.21208	20.5
260.40482	3.7
278.14661	3.8
378.66309	3.9
387.19562	4.2
408.24667	4.1
421.20743	4.4
441.95190	3.7
547.52441	5.9
556.33527	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24842	0.2
52.08178	0.3
52.19755	0.3
53.03940	0.6
55.01848	1.1
57.03421	0.4
61.02904	0.7
65.03922	0.5
68.68393	0.3
68.99774	0.3
69.03431	2.3
71.04979	0.3
72.89034	0.3
73.02898	0.5
81.03408	2.7
84.50572	0.3
85.02429	0.5
85.02899	5.8
87.00811	1.7
91.05476	6.2
93.59166	0.3
97.02892	3.0
99.04443	1.2
105.01842	1.6
109.02882	2.9
119.04935	17.6
127.03930	3.1
129.01831	0.5
145.04962	1.4
147.04401	100.0
148.04720	1.0
159.02876	1.1
161.83644	0.3
231.06752	1.4
255.06367	0.5
273.07468	0.6
283.08191	0.3
375.51620	0.3
395.09579	1.6
413.10464	0.9
414.68967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62393	0.5
53.03929	0.8
61.02905	0.8
64.47701	0.7
65.03916	0.8
65.50138	0.6
69.03409	2.3
75.00438	0.6
77.61121	0.6
81.03391	1.8
85.02889	4.6
87.00816	1.0
91.05476	7.2
91.71540	1.1
97.02866	2.5
99.04434	1.6
105.01845	1.1
109.02848	2.2
119.04933	20.4
119.79359	0.8
127.03917	3.4
134.63368	0.8
145.04951	1.0
147.04401	100.0
148.04732	0.9
150.31572	0.7
154.49135	0.7
159.02896	1.0
203.15623	0.8
231.06502	2.1
395.09546	2.0
478.13925	0.8
525.52618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
60.41111	0.5
65.72906	0.5
68.90671	0.5
69.03403	2.0
74.92371	0.4
81.03395	1.1
85.02894	4.5
87.00821	1.4
91.05469	5.9
91.71079	0.8
96.86368	0.7
97.02879	1.4
100.34454	0.6
105.01851	1.6
109.02883	1.8
114.80478	0.5
118.30863	0.5
119.04939	16.3
127.03894	3.2
129.01904	0.6
141.38286	0.5
145.04955	1.5
147.04402	100.0
148.04712	0.6
159.02887	1.0
184.19470	0.5
221.64453	0.6
231.06644	1.5
265.07141	1.1
265.30737	0.6
267.21729	0.6
267.57932	0.6
395.09787	1.5
413.10739	0.8
494.86856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88584	0.9
69.03442	1.6
70.06595	1.2
81.03415	1.5
85.02915	1.6
91.05473	8.4
91.71578	2.6
97.02919	3.2
101.67220	1.1
102.56186	0.9
119.04933	20.4
127.03922	1.3
147.04407	100.0
188.26276	1.3
226.77000	1.3
248.93553	1.2
266.26013	1.2
325.62607	1.2
379.52371	1.3
435.32974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20500	2.6
61.87915	2.8
67.06694	3.2
70.06577	3.1
71.59969	2.7
76.28974	3.0
91.05469	8.9
91.71689	4.0
119.04930	24.9
126.77137	3.7
147.04401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74840	2.8
60.08151	11.3
62.84801	2.6
71.07334	4.6
86.09700	47.7
91.71101	3.7
104.10724	3.3
124.99990	23.3
125.44002	3.9
131.46889	3.3
146.68239	3.5
164.28934	4.0
184.07318	100.0
213.09654	3.7
232.85532	3.5
272.25894	5.1
275.64154	4.8
327.94803	3.9
367.07419	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
57.07051	8.9
67.05494	16.5
69.07063	11.4
71.08620	6.9
73.28162	5.5
80.78780	5.8
81.07042	18.6
83.08580	8.9
85.03686	5.3
86.09682	6.3
93.07030	17.4
94.86601	5.1
95.04967	5.5
95.05675	5.5
95.08609	17.4
107.08598	17.1
109.06596	7.7
109.10163	7.6
121.10142	15.1
123.08092	16.3
179.14285	18.9
184.07304	23.2
242.49532	7.0
277.21628	8.8
333.27936	9.1
351.29053	8.3
407.31522	100.0
420.78912	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17212	2.1
60.08152	21.7
62.44165	2.1
62.91219	2.4
67.05499	3.1
71.07370	7.2
78.42149	2.8
79.78104	2.1
81.07050	4.2
86.09698	57.7
95.08664	2.8
98.98454	4.3
103.88267	2.4
104.10735	100.0
106.97625	2.3
124.99997	27.7
131.23221	2.4
158.75391	3.2
184.07343	81.6
187.15506	2.7
217.64685	2.7
233.21587	2.6
237.75035	2.7
362.58664	3.4
548.37207	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.1
60.08152	9.2
65.83577	1.4
67.05487	1.1
71.07361	4.2
79.48192	1.1
86.09698	33.8
91.59453	1.2
98.98468	1.8
104.10744	3.3
109.61559	1.5
124.66191	1.5
125.00000	21.9
178.37918	1.5
184.07333	100.0
185.07635	1.6
198.07867	1.4
256.45486	1.5
369.48196	1.7
548.37024	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49609	22.4
57.07080	22.3
70.41230	23.2
72.72971	25.2
81.07072	27.6
85.10150	25.3
91.05463	32.3
91.71674	31.7
104.53589	26.1
109.10180	32.3
113.09631	33.8
124.87984	25.0
125.38699	26.1
145.22177	28.2
154.57909	26.4
164.61574	26.1
165.12791	30.3
277.21463	46.7
286.28436	33.3
295.22824	79.2
369.26324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85123	7.2
59.82784	5.8
60.08154	16.1
83.81377	6.1
86.09697	55.0
104.10763	11.9
124.61813	6.7
124.99975	22.9
131.74707	6.4
184.07326	100.0
189.37326	7.0
224.93504	8.7
284.14832	7.6
291.00742	9.1
379.90173	7.4
421.06052	7.2
455.90897	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27193	7.2
60.08171	12.2
62.36342	7.2
70.38766	7.5
78.15694	6.9
86.09693	49.7
91.71603	9.6
104.10732	100.0
104.11297	8.3
125.00012	13.3
129.61766	9.9
150.10887	8.7
184.07288	53.1
238.50674	9.8
550.31573	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50008	2.0
60.08138	7.4
64.58275	2.4
71.07343	6.2
71.45107	2.1
75.33797	2.4
86.09702	35.4
98.98505	2.6
104.10770	4.2
125.00000	17.5
184.07317	100.0
221.15569	2.8
226.07396	3.0
557.34442	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78197	0.5
55.78550	0.5
59.79542	0.5
60.08150	10.8
61.96960	0.5
71.07368	4.3
71.63769	0.5
81.03391	0.6
86.09692	43.5
98.98470	3.4
99.16084	0.6
100.76120	0.5
104.10741	9.0
111.20911	0.6
124.99990	22.2
125.00928	1.1
166.02647	1.4
184.07321	100.0
191.49925	0.6
222.26314	0.6
328.46942	0.7
380.11386	0.7
550.31458	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20868	1.7
52.74955	1.9
55.09517	1.9
56.00589	1.8
58.73965	2.1
60.08147	9.3
62.01595	1.9
71.07371	5.6
86.09692	46.0
98.98489	3.1
104.10730	5.4
124.99986	23.9
156.97260	2.6
166.36253	2.9
169.08670	2.4
184.07332	100.0
184.35567	2.6
185.90320	2.8
275.01083	2.7
281.02777	3.0
301.20276	2.8
314.78629	2.6
349.98819	3.0
550.31256	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07458	1.3
60.08153	22.3
71.07368	9.4
86.09698	60.7
94.63051	1.9
95.04383	1.9
96.37376	1.8
98.98441	4.0
103.55328	1.8
104.10737	100.0
105.60646	1.8
124.01871	1.9
125.00002	24.5
128.81554	2.1
132.97575	2.1
153.22487	2.1
184.07332	87.3
380.75461	2.4
429.13385	2.5
532.31012	4.2
550.31207	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
62.39058	29.8
67.05502	48.0
79.05460	41.6
81.07056	72.5
91.05471	65.7
93.07050	91.0
105.07002	100.0
107.08611	56.3
119.08585	73.8
127.11288	44.0
131.08507	43.6
133.10100	43.4
133.72227	41.6
141.21841	38.5
143.08556	92.3
145.10115	91.8
157.10101	63.4
169.10143	66.1
224.84103	36.7
440.65079	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51225	2.3
56.70334	2.0
56.96512	2.2
60.08155	24.9
67.05473	2.6
69.07075	2.8
71.07362	6.2
76.37328	2.3
86.09698	54.4
87.04295	3.0
104.10033	5.4
104.10731	100.0
104.11402	6.1
109.10215	2.9
115.01727	2.5
124.99984	22.6
128.64110	2.7
140.17186	2.8
152.36469	2.7
184.07332	82.5
184.65417	3.0
497.67990	3.1
532.37677	6.7
542.73859	3.5
550.38947	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	14.2
84.04472	15.4
86.09680	15.1
95.78950	13.9
96.04482	22.1
105.71774	13.8
133.57028	13.9
135.16309	14.2
136.93102	16.4
138.05495	38.3
154.94179	33.7
164.22350	16.1
166.87651	13.3
172.95193	87.1
177.95795	25.5
190.96297	44.9
195.96844	100.0
213.97923	39.9
218.98363	90.3
236.99385	21.3
237.97726	24.8
273.97891	33.1
279.98904	19.2
291.98920	24.6
303.00638	18.3
315.00403	26.3
321.99939	44.6
340.01077	29.6
359.74582	16.6
363.02634	40.4
382.01730	17.3
423.04871	47.4
433.35562	15.7
510.14301	69.1
523.93097	15.6
525.08051	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88154	14.1
56.96553	51.8
57.65923	13.2
62.06453	14.9
89.82875	15.4
91.71106	21.3
93.07041	30.0
98.97575	100.0
107.08606	54.9
116.98617	56.5
131.00160	21.3
140.00237	89.9
145.10118	35.1
149.01274	23.0
154.01720	24.4
158.01228	26.5
158.99606	26.1
173.01236	48.8
177.00528	22.6
181.02841	29.9
184.07492	24.4
187.14851	29.3
191.02258	22.3
199.78555	18.9
200.02318	51.3
214.03830	76.6
226.00142	25.0
242.03439	24.4
244.99686	60.5
247.16895	27.3
268.01227	21.9
271.61966	17.0
286.02322	26.9
291.55051	20.2
303.12424	33.3
316.78772	20.1
326.14017	80.8
345.14099	24.3
366.57321	18.6
367.16809	29.7
386.16318	22.8
407.01865	22.6
572.58514	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13778	11.0
62.76535	10.2
84.42354	9.9
86.09697	16.2
88.09419	10.6
99.41740	12.8
107.06709	12.1
152.40720	12.6
158.19063	16.1
289.05194	27.3
381.35876	15.6
507.21985	30.8
551.21033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3729
Annotation	Manzamine B
Peak:m/z	Relative Intensity
52.04580	5.0
55.01854	11.8
55.05500	13.2
55.97070	6.0
57.03420	13.2
67.05495	90.1
69.07053	22.6
71.04993	7.4
79.05488	53.0
81.07052	75.5
82.07381	7.2
91.05470	86.2
91.45757	8.9
93.07037	77.5
95.04976	11.2
95.08586	50.2
96.48792	5.7
97.06517	13.5
105.07004	56.2
107.08589	33.5
109.10158	15.6
117.07005	33.3
119.08559	47.5
121.10138	24.1
129.05493	13.6
129.06963	39.1
131.08554	56.8
133.10139	46.9
135.08072	10.4
135.11694	10.7
139.51665	7.5
141.07004	19.1
143.08569	38.3
145.10141	45.0
147.11656	17.4
149.13205	10.5
154.07729	7.2
155.08574	32.9
157.10124	27.9
159.11699	28.3
161.13225	17.0
166.07777	9.9
167.08577	21.3
169.10153	26.8
171.11673	20.4
173.09618	9.5
173.13248	17.2
175.11279	9.6
177.12740	10.7
179.08551	13.7
181.05997	7.6
181.10155	21.8
183.11761	27.3
185.13271	14.1
193.10146	12.7
195.11742	21.1
197.13321	18.2
199.14789	11.7
207.11699	8.4
209.13303	12.8
211.14848	16.5
213.16382	10.5
221.13341	13.9
223.14851	8.7
235.14862	12.8
237.01907	8.1
237.16498	12.2
239.14409	9.0
395.55438	8.3
441.31161	13.1
459.32642	26.1
533.36322	18.5
542.64215	9.5
551.37183	100.0
552.37292	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.373
Annotation	Manzamine B
Peak:m/z	Relative Intensity
55.01856	24.9
55.05498	36.7
57.03429	18.5
57.07073	16.1
58.79923	16.6
64.51948	16.9
67.05489	62.0
79.05492	54.4
81.07036	92.7
91.05468	92.3
93.07041	64.2
95.08596	63.0
104.90454	19.1
105.07018	60.5
107.08597	44.3
117.07010	43.8
119.08602	27.4
129.06987	29.1
131.08574	64.8
133.10155	42.8
135.11642	20.2
141.06979	29.0
143.08516	34.6
145.10126	39.3
155.08536	24.6
157.10168	46.8
159.11703	24.8
161.13219	27.0
166.58440	19.9
171.11665	31.9
183.11713	30.3
207.11629	30.4
364.45883	24.8
398.42111	24.5
421.96625	24.8
520.45325	32.6
551.37305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.6
53.06918	7.1
55.01871	13.1
55.05512	20.6
57.03434	14.3
62.79801	8.6
67.05495	75.8
69.07053	16.5
71.05012	13.5
74.12833	7.1
75.18089	8.2
79.05096	7.9
79.05493	53.3
81.07055	100.0
83.04966	10.9
85.06509	8.4
91.05473	72.0
93.07047	66.0
95.04986	16.4
95.08605	45.2
97.06521	15.0
105.07013	58.4
107.08610	31.3
109.10197	17.5
111.32930	8.3
111.64627	8.5
117.06999	42.8
119.08584	48.0
128.06349	9.9
129.05539	24.9
129.07036	30.0
131.08604	51.7
133.10168	39.6
135.11763	13.8
141.07068	24.1
143.08600	38.6
145.10196	25.0
147.11717	23.6
149.09660	11.8
155.08611	21.1
157.10162	29.5
159.11772	31.5
161.13313	11.9
167.08569	13.1
169.10213	28.2
171.11766	32.4
173.13252	12.2
175.11159	18.0
177.12766	12.8
181.10184	27.3
183.11781	35.0
185.13341	16.1
193.10245	14.5
195.11696	17.2
197.13388	14.1
199.14841	16.0
207.11815	13.2
209.13359	20.1
212.62445	9.4
221.13435	12.6
223.14925	9.6
230.69641	8.8
239.14272	13.9
459.32761	25.3
471.96707	12.4
489.24731	10.4
533.36389	11.4
551.37341	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	25.9
57.35076	6.2
59.08357	5.5
68.63906	8.9
70.06593	18.2
77.15433	6.3
78.31528	5.8
79.99194	6.7
85.02869	9.4
86.09688	6.8
87.59138	6.7
98.97585	32.2
103.88532	7.3
116.98619	17.0
121.08593	6.2
126.94359	8.0
140.00240	19.7
154.60873	8.6
158.01251	12.5
181.02882	16.1
200.02316	10.4
234.10077	8.0
239.09453	8.7
262.11404	9.2
263.09744	9.7
281.10663	24.6
304.12311	24.1
305.10455	45.2
323.11826	15.7
346.13208	28.7
388.15347	7.6
425.14807	100.0
443.15805	11.7
467.15756	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.8
55.01865	9.9
56.61187	3.8
60.08137	5.0
61.02919	5.8
69.03418	41.1
71.04993	5.7
73.02908	7.8
76.72627	5.5
81.03435	26.2
85.02890	100.0
87.00819	22.0
89.09831	5.1
97.02885	48.4
97.05605	4.9
97.28654	4.5
99.04457	12.3
103.03937	12.8
105.01868	34.1
109.02838	27.1
119.04958	8.5
121.06464	13.6
127.03894	46.2
129.87184	5.1
136.52603	5.3
145.04993	24.3
147.02875	6.4
147.04388	21.9
149.05988	42.8
159.02809	10.5
161.05969	5.8
163.07611	6.0
187.07503	5.6
189.03961	14.0
191.07007	24.2
215.07082	17.5
231.05009	11.4
233.08063	25.3
553.11682	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16746	0.7
51.06930	0.7
58.92306	0.7
59.97276	0.7
60.08152	0.7
69.03423	100.0
70.03751	1.1
86.09699	3.6
87.04468	11.1
91.71651	1.0
104.10742	2.2
105.05487	1.8
125.00003	1.7
153.44446	0.8
155.07016	17.0
173.08089	4.8
184.07353	5.9
191.09137	1.9
241.10742	2.4
259.11719	5.5
277.12973	1.7
345.15738	1.2
363.16382	1.7
406.23349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80049	0.4
56.05011	0.6
58.06567	0.5
60.08155	11.0
63.81605	0.4
71.07360	4.0
81.07021	0.7
85.03469	0.4
86.09695	42.1
93.07006	0.7
98.98462	3.4
101.63888	0.5
104.10732	5.3
105.65669	0.5
121.25261	0.5
124.99991	22.9
136.84500	0.6
137.05963	1.4
166.02592	1.5
169.26190	0.5
171.85182	0.5
184.07324	100.0
185.07793	0.6
368.52011	0.6
379.31638	0.6
534.28204	0.8
552.29291	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63484	26.4
60.46502	29.5
61.50500	31.1
62.06071	38.0
66.79607	29.8
68.07433	33.6
81.07033	96.5
83.04973	36.7
86.09707	40.5
91.05475	41.0
93.07029	53.6
98.98424	29.6
99.08116	34.4
105.61729	32.6
107.08586	47.6
109.91000	39.1
117.07023	38.0
117.62433	37.3
141.54953	35.2
175.60432	36.6
184.07359	100.0
258.79630	38.2
268.25287	39.9
275.96707	39.6
319.22672	50.4
345.68811	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20980	3.2
57.36018	3.1
60.08141	10.9
63.73835	3.5
79.68707	3.4
86.09699	43.1
104.10737	13.7
112.73981	3.7
114.76653	3.9
125.00002	24.0
128.89389	4.5
130.52280	4.3
130.74158	4.6
149.63823	3.6
174.71516	4.5
184.07323	100.0
284.67407	4.4
440.37915	4.2
482.28354	5.1
547.77734	6.4
552.84540	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08321	0.6
56.05030	0.8
60.08158	9.6
61.87450	0.6
71.07373	4.7
86.09698	43.5
95.39944	0.6
98.98467	3.7
104.10732	5.2
124.99995	24.0
131.70833	0.7
159.97792	0.7
164.14633	0.7
184.07336	100.0
243.17430	0.8
291.63474	0.8
353.82947	0.8
410.90454	0.9
534.31738	1.1
552.33008	5.4
561.07080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64219	2.1
53.00342	2.5
56.66308	2.6
57.04865	2.2
60.08167	9.2
62.68109	2.3
68.11900	2.6
71.07364	5.8
71.14660	2.7
81.07061	2.7
81.42425	2.6
86.09701	45.8
93.92767	2.9
104.10765	8.2
107.18218	2.7
111.37344	3.5
124.99973	22.9
184.07327	100.0
313.71799	3.0
507.72781	3.5
534.31616	6.1
542.91650	3.3
552.32751	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56546	1.3
51.97960	1.5
52.82755	1.8
55.17913	1.9
56.05007	1.7
60.08158	23.0
60.91839	1.6
63.48660	1.6
68.87759	1.6
71.07367	9.7
78.17462	1.9
86.09695	73.6
87.23651	1.8
91.71651	2.5
95.08599	2.3
98.98454	4.7
104.10737	100.0
124.99991	30.5
161.44341	2.2
184.07327	92.5
430.85654	2.3
534.31866	5.4
552.33093	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31716	18.7
63.86391	16.1
65.41215	17.2
65.50048	19.2
65.90862	18.0
71.08618	100.0
75.67702	21.9
80.59286	21.1
99.08112	47.5
161.72945	23.0
169.78914	21.4
183.64621	24.0
253.52814	24.8
300.03137	23.1
339.71130	27.6
411.31522	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07409	0.7
57.07057	3.2
58.06585	1.0
60.08152	19.2
67.05499	1.1
69.07044	1.1
71.07360	6.5
71.08616	1.2
74.34912	0.7
81.07027	1.8
85.10157	1.5
86.09692	48.4
86.25250	0.8
98.98478	3.8
104.10733	100.0
124.99986	23.1
125.00811	1.5
130.63628	1.0
150.26353	0.8
184.07324	72.3
192.96358	0.8
193.81189	0.8
206.47620	0.8
238.20012	0.8
258.10989	1.0
290.55975	0.8
301.10809	0.8
313.79935	0.9
314.85846	0.9
361.23553	0.8
369.33835	1.0
534.39160	3.6
540.40363	0.9
552.40198	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30396	3.2
55.00021	2.8
55.33709	3.0
64.65186	3.6
82.79911	3.6
91.05457	11.1
91.76118	3.8
97.19566	3.1
119.04942	20.0
126.17387	3.3
147.04411	63.2
149.45366	4.3
159.02635	22.2
169.02560	7.1
204.31061	4.3
211.29248	4.0
215.04478	4.6
283.80255	4.0
305.06180	21.9
311.62155	4.1
320.49863	4.6
355.91406	4.0
391.09756	8.9
467.11450	8.5
509.12631	51.4
553.11652	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88821	2.5
60.52567	2.6
65.10480	3.0
70.06594	3.2
82.25516	2.4
91.05467	15.6
96.44648	2.6
111.27359	3.4
119.04931	33.8
131.04808	3.2
138.75562	3.7
147.04402	100.0
159.02646	31.1
169.02673	11.9
305.06262	17.1
373.08881	7.4
391.09875	19.5
407.88461	3.9
417.08334	4.8
435.09369	5.4
448.06192	3.5
467.11700	6.9
509.12650	23.2
553.11566	76.3
554.12225	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04222	2.9
57.42734	3.2
59.00603	3.2
66.11569	3.3
69.03408	3.8
79.29102	4.0
85.02904	13.3
85.64417	3.3
91.05473	9.7
103.84048	3.6
106.15593	3.6
119.04898	27.4
124.18155	4.1
139.91675	4.3
147.04405	100.0
154.25490	3.9
159.02692	21.5
169.02638	11.8
228.87614	4.0
230.62390	4.0
305.06342	14.1
348.63895	4.6
391.09976	13.6
467.11334	7.7
509.12836	37.7
553.11713	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	2.3
58.95325	1.1
61.84319	1.2
69.03449	1.4
70.06609	1.4
71.40170	1.1
72.70835	1.1
73.67344	1.1
84.04497	46.2
84.04995	2.3
85.02920	1.7
89.70490	1.4
91.11806	1.4
94.06589	2.8
96.73118	1.4
102.05535	8.6
103.04913	1.2
103.05433	6.8
107.04944	3.0
120.08095	100.0
122.06033	6.9
130.05009	18.0
131.04993	4.1
147.04417	1.7
149.07138	2.3
150.05518	3.4
156.20490	1.5
164.47548	1.3
166.08624	37.5
168.06514	11.3
182.72350	1.5
186.09160	18.4
186.10570	2.3
195.07712	3.8
215.01735	1.5
232.09758	6.2
241.08313	4.2
242.06882	1.6
259.09296	2.3
278.10269	4.2
295.12839	28.5
295.16019	2.0
361.14120	2.8
424.17181	11.0
553.21277	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42080	16.5
57.40356	16.9
59.13305	19.6
60.18491	19.1
86.09696	23.6
122.40519	23.7
373.02179	30.9
401.89975	26.1
414.53513	30.8
440.00455	29.3
553.27673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.8
56.39840	9.7
64.59872	9.1
67.05497	73.2
69.03404	17.8
69.07056	11.7
71.04982	33.8
74.88213	11.7
77.55640	11.3
79.05461	20.0
81.03419	18.6
81.07046	100.0
85.02902	37.5
85.06531	23.0
87.00797	12.3
88.30767	9.6
91.05467	27.4
93.07034	50.2
95.08585	58.2
97.06529	18.3
105.07003	19.6
107.08574	29.4
109.02871	15.5
109.10149	41.3
112.06377	11.8
119.08559	22.9
121.10150	43.6
123.11736	16.3
127.03920	27.0
131.08630	19.6
133.10141	43.6
135.11694	35.9
136.73846	13.6
138.09146	26.6
145.10094	25.7
149.13263	28.0
151.11217	19.0
159.11678	20.6
166.96085	12.6
187.14763	12.8
215.17989	36.7
233.19046	40.6
251.20035	75.1
269.21039	92.1
287.22308	65.6
309.31125	12.5
556.48370	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82482	13.2
73.47768	13.2
77.76211	12.9
79.52560	11.8
112.54729	13.4
124.00568	13.8
361.76126	20.1
448.44220	18.2
484.04761	18.6
553.29919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48763	8.3
67.05499	10.8
91.70913	19.0
119.59232	10.8
195.36784	12.2
217.19044	12.3
217.87451	14.7
278.56931	12.1
461.17288	13.3
553.29773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.2
58.22488	2.2
67.05508	4.2
68.65853	2.1
69.08687	2.1
81.07042	4.5
86.83617	2.7
91.03364	2.6
91.05463	3.6
91.28666	2.5
95.08607	2.9
95.54979	2.5
105.07026	3.6
119.08652	3.0
122.14856	2.4
133.18752	2.4
135.72221	2.5
144.21266	2.9
146.95280	2.8
174.58081	2.7
175.64682	2.6
217.68369	2.5
335.68030	3.0
553.31360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	19.1
55.05492	18.9
57.03436	15.7
57.07052	12.9
67.05491	72.8
69.07065	27.8
72.38496	10.8
79.05476	48.4
81.07042	67.9
91.05483	61.6
91.71675	13.9
93.07043	69.5
95.08591	40.0
103.85996	12.0
105.07038	55.8
107.08590	16.8
117.07014	28.6
119.08591	35.6
121.10165	28.2
129.05475	19.7
129.07024	40.7
131.08557	54.6
133.10080	22.9
141.06985	22.9
143.08597	31.4
145.10083	44.8
155.08582	34.4
157.10130	23.8
169.10178	48.6
181.10095	23.2
183.11685	21.4
191.10489	12.8
193.10100	14.1
209.13231	19.5
218.54840	12.4
222.41029	16.6
253.19377	18.1
406.16708	16.4
461.34140	27.8
535.37848	34.6
553.38654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05115	15.8
51.22309	16.5
55.05489	18.8
57.08683	17.6
58.92177	14.2
62.49987	17.8
66.14181	15.2
67.05478	58.3
79.05473	42.6
81.07044	77.1
91.05471	57.1
91.70975	36.4
93.07024	55.6
95.04961	23.1
95.08602	37.0
102.58302	20.1
105.07014	54.6
107.08528	25.5
117.06971	23.0
119.08566	49.9
121.10196	21.4
129.06984	36.2
131.08553	46.2
133.10146	27.4
143.08559	52.2
145.10153	39.7
155.08546	28.4
157.10153	31.8
169.10059	22.7
177.54993	19.9
181.53172	20.1
183.11714	22.0
187.85681	18.9
212.51094	20.4
285.63370	22.2
330.01688	23.1
461.34149	43.1
535.38062	26.5
553.39087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68282	34.7
67.05495	100.0
79.05471	66.8
80.84763	40.3
81.07030	77.3
86.21907	42.7
91.05488	56.1
91.71061	60.9
105.07056	53.2
106.60777	43.0
129.07040	75.3
131.08586	79.6
133.10124	57.3
143.08536	49.5
171.11671	51.4
246.24678	55.6
517.10614	50.5
553.38531	67.1
579.07727	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02372	16.1
55.01858	28.4
55.05474	17.7
57.07078	18.4
67.05489	82.3
69.07057	50.1
72.27159	16.6
79.05486	50.6
81.07047	77.2
82.93118	21.4
85.06588	20.4
91.05489	87.5
93.07046	88.0
95.04926	29.9
95.08605	46.8
97.06503	28.3
105.07037	100.0
107.08595	47.2
117.07058	45.1
117.23898	18.1
119.08569	65.6
121.10140	34.8
129.07033	36.5
131.08527	45.4
133.10170	32.1
141.06926	24.1
155.08601	42.0
157.10152	26.0
167.08481	26.5
169.10133	45.4
179.08621	21.8
179.15730	22.8
180.10449	21.4
181.10103	27.8
285.22314	24.6
461.34100	36.6
535.37732	40.6
553.38623	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77401	25.3
56.64703	28.2
63.22388	31.1
67.05489	61.2
68.25449	31.0
69.07073	33.4
77.30293	29.6
79.05469	51.9
81.07046	57.9
91.05489	50.9
93.07018	64.5
95.08591	34.3
105.07030	82.9
106.19025	31.1
107.08614	38.1
119.08607	35.4
122.87650	30.2
131.08539	47.1
148.89983	32.1
150.55954	36.0
284.35178	36.8
443.32071	37.7
499.95383	37.9
553.38257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96490	50.0
54.98674	49.5
55.74165	54.4
57.79486	50.2
62.06054	70.7
67.05495	65.6
81.07069	64.9
86.47392	52.7
94.12697	58.0
95.04959	77.5
96.42753	57.6
96.70757	52.8
109.44131	62.7
131.52362	89.7
147.60933	100.0
204.00589	67.0
238.29088	70.1
395.27982	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58836	1.3
55.01867	12.8
55.46900	1.3
57.21995	1.4
69.03420	2.3
69.15878	1.4
70.06580	1.9
76.02222	6.3
79.05448	1.9
83.04968	6.3
84.04494	9.7
85.02884	5.1
89.68162	1.6
91.71078	1.9
97.02877	2.3
99.74690	2.0
105.00050	2.9
107.08577	3.1
109.02873	1.8
112.01412	1.6
122.02718	23.8
122.58518	1.7
125.09624	100.0
127.03992	1.7
130.05020	4.3
142.03221	3.1
143.10667	5.8
196.30904	1.9
225.24187	1.8
251.06935	5.6
257.13385	1.9
264.12650	7.4
393.16776	22.4
470.26642	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
82.82557	23.5
96.80312	29.2
129.98444	30.4
160.57593	27.1
222.16707	32.6
555.31555	100.0
574.37573	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41222	11.1
63.31513	11.6
105.55580	13.4
114.69330	15.2
153.27866	13.2
166.41553	15.6
166.98532	13.2
170.96179	15.1
177.89883	16.0
270.02863	16.1
389.75439	17.2
550.15503	17.3
555.31055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84491	4.0
55.01853	4.8
55.05490	21.2
57.03421	7.2
57.07057	9.2
67.05494	62.2
69.07041	26.2
69.97095	5.0
79.05099	4.7
79.05488	38.9
81.04310	4.1
81.07042	74.6
83.08624	14.9
84.07819	4.5
84.17284	4.7
84.63143	4.2
91.05465	58.2
91.70942	4.3
93.07023	53.3
95.04957	8.4
95.08600	36.9
101.06913	5.4
105.07014	50.6
107.08582	23.0
109.10119	13.2
117.07023	24.0
119.08570	35.8
120.86297	4.6
121.10150	17.3
124.60249	5.9
129.07004	15.7
131.08560	31.9
133.10138	29.0
135.07965	5.9
135.11684	7.2
137.13329	5.7
140.90053	5.0
141.07076	6.5
142.07872	6.4
143.08588	19.5
144.12428	5.9
145.10110	30.5
147.11687	15.3
155.08553	18.7
157.10141	30.9
157.47398	5.3
159.11682	12.9
161.13277	8.0
163.11406	5.3
167.08566	9.9
169.10121	13.2
171.11688	17.9
173.09628	8.4
175.11195	5.8
181.10123	11.0
183.11674	19.3
185.13232	13.3
195.11732	16.3
197.13255	15.3
207.11775	6.3
211.14763	7.0
213.16425	7.9
235.14790	7.3
252.63438	6.3
445.34619	10.0
463.35547	23.0
537.39203	10.5
555.40607	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4043
Annotation	(1S)-1,2,3,4-Tetrahydromanzamine B
Peak:m/z	Relative Intensity
52.52821	6.0
55.01870	13.1
55.05492	27.6
57.03418	13.7
57.07093	8.1
58.41411	6.1
67.05501	81.6
69.07061	32.4
79.05474	47.1
81.07059	60.0
83.08599	11.6
89.05955	10.8
91.05489	48.6
91.05948	8.1
93.07035	71.0
95.04925	13.4
95.08076	10.0
95.08590	61.8
97.06533	8.2
105.07037	51.4
107.08597	35.8
109.10152	17.1
117.07006	26.0
119.08562	35.0
121.10151	24.4
129.07010	19.5
131.08563	56.9
133.10118	37.5
135.11693	10.4
143.08589	33.3
145.10132	33.9
147.11690	11.7
148.52649	7.6
155.08611	22.3
157.10159	29.3
159.11717	21.7
169.10106	15.1
171.11693	27.7
173.13231	14.5
175.11191	12.0
177.12735	11.4
181.10149	9.8
183.11694	14.4
185.13251	11.9
195.11636	10.4
197.13152	11.2
199.14816	12.6
213.16319	9.5
362.90109	9.1
463.35614	29.5
537.39294	12.4
555.40204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92197	6.0
55.05500	19.2
57.03413	10.4
57.07059	10.8
58.05170	6.1
67.05238	8.0
67.05501	86.1
69.07050	26.9
70.49135	6.5
79.05476	32.1
81.07041	68.7
83.08595	17.9
85.06529	8.5
91.05465	49.0
93.07034	64.9
95.04982	10.5
95.08585	52.1
97.06512	11.5
105.07043	66.2
107.08563	20.3
109.10137	22.4
117.06996	28.0
119.08561	43.6
121.10160	19.5
125.18621	7.8
129.07010	19.3
131.08510	47.2
133.10135	25.6
135.11714	21.7
143.08577	30.5
145.10124	38.4
147.11708	14.9
155.08504	23.4
157.10133	17.4
159.11670	20.4
167.08594	11.4
169.10101	17.5
171.11694	19.8
173.13310	8.3
181.10129	19.4
183.11801	13.8
185.13347	13.2
195.11710	14.8
197.13205	21.6
206.08496	9.6
209.13333	13.2
223.15004	8.9
227.14061	11.1
237.16177	9.9
325.77252	8.5
463.35730	37.2
537.39282	25.3
555.40430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	24.5
60.02603	5.9
60.30738	6.2
71.08646	8.3
75.18018	7.1
92.28872	6.2
114.07222	27.3
152.65404	7.9
183.95549	8.6
282.26013	100.0
316.49948	8.3
555.52972	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76007	35.3
50.76804	33.1
53.26756	34.6
53.28144	34.2
54.04841	38.9
54.43581	30.8
59.03927	39.2
65.96814	33.0
69.03425	46.7
77.41451	40.3
78.55621	43.3
81.07060	45.4
85.02908	81.1
91.71590	50.7
108.16487	39.9
108.29504	57.9
128.82536	49.6
135.08041	61.5
147.11649	49.9
151.07529	100.0
189.12660	52.8
207.13655	69.6
215.97543	45.6
285.59305	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	19.1
57.03447	14.7
60.05141	14.9
69.03404	44.0
71.04960	18.1
81.03428	48.9
81.07050	25.2
85.02879	61.7
87.00825	21.8
91.05495	15.9
93.07037	25.4
97.02898	30.9
99.04432	19.5
107.08575	20.1
109.02885	42.0
109.06499	44.5
111.08098	55.8
114.55064	16.2
119.08621	33.3
123.08057	56.0
127.03893	42.3
133.10126	21.4
135.08081	56.9
143.31252	17.0
145.10083	21.3
147.11626	31.1
151.07445	97.9
171.11539	18.5
173.13301	29.3
189.12784	100.0
197.11699	19.6
199.23523	21.1
207.13844	69.5
255.17474	69.7
273.18515	61.7
291.19553	33.6
382.28656	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02889	11.3
91.05487	10.3
91.71635	9.6
95.04958	11.7
105.07040	12.6
109.02854	8.2
109.06528	30.0
112.64880	7.0
118.01363	8.1
121.10146	73.0
127.80370	9.9
135.08080	32.7
145.10167	10.1
151.07547	25.2
153.09100	47.0
197.13232	18.4
215.14369	19.1
217.39748	8.1
255.17316	13.1
273.18423	41.4
291.19513	100.0
315.72052	8.8
331.38040	8.8
479.42313	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	25.2
67.05495	100.0
79.05502	51.9
81.07056	48.1
91.05486	62.2
93.07045	82.3
95.08602	43.1
101.50502	25.1
102.87745	29.0
103.01523	27.9
105.07045	63.5
107.08609	33.5
109.10149	34.1
117.07005	44.3
119.08598	40.9
131.08540	56.7
145.10114	58.6
181.34830	27.9
271.16003	30.6
310.76120	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.7
55.05494	17.6
56.64124	4.0
57.03417	6.8
57.07058	7.3
61.02914	7.7
65.03921	4.6
66.70208	3.6
67.05492	77.7
69.07048	12.7
73.02885	5.4
73.34513	3.5
78.38736	4.2
79.05488	37.1
81.07047	77.1
83.08610	8.0
85.02894	12.2
85.06532	5.1
90.69131	4.6
91.05466	100.0
93.07034	68.2
95.04964	13.5
95.08594	45.8
97.02902	6.3
98.92112	4.9
101.05997	3.9
105.07016	58.1
107.08570	42.0
109.10137	26.4
117.06996	38.9
119.08566	59.8
121.06496	4.2
121.10160	30.8
123.11730	7.3
128.06261	5.7
129.06970	26.4
131.08568	60.8
133.10114	32.5
135.07997	7.2
135.11713	24.5
141.07010	11.7
143.08534	20.8
145.10103	37.7
147.11649	23.0
149.09628	12.6
149.13263	13.5
155.08493	11.1
157.10159	16.5
159.11661	32.2
161.09633	10.4
161.13237	17.1
163.11179	8.6
169.10139	11.3
171.11703	16.5
173.13252	19.3
175.14848	17.8
183.11711	12.9
184.37219	4.4
185.13272	19.7
187.14883	13.3
189.12776	5.9
197.13304	13.3
199.14815	8.5
201.12729	9.0
201.14679	4.2
201.16304	22.1
211.14844	8.2
215.14375	5.9
225.16377	4.8
243.21033	6.3
244.15176	5.3
257.22647	6.2
267.21066	34.7
285.22021	23.3
327.88419	4.8
337.59589	4.7
377.27081	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15416	2.8
51.70693	2.4
53.03942	2.6
55.01871	5.6
55.05518	14.7
55.28790	3.0
57.03192	2.4
57.03421	15.6
57.07067	53.5
64.60633	2.8
67.05495	35.2
69.07060	18.1
70.06590	3.7
71.08615	32.8
79.05467	24.3
81.07050	39.4
81.33733	2.9
83.04984	5.8
83.08604	23.3
85.10178	16.7
88.22707	2.9
89.06025	25.5
90.26724	2.7
91.05510	14.4
93.07030	42.7
95.04975	9.1
95.08596	67.8
95.09142	4.8
97.06569	5.4
97.10154	6.0
100.31013	2.8
104.10770	9.1
105.07059	4.6
107.04960	7.8
107.08582	32.2
109.10201	11.4
115.51010	3.4
117.07088	7.9
119.08630	9.2
121.06579	7.7
121.10127	17.1
123.11697	4.1
130.08669	5.8
133.08647	14.8
135.11676	53.8
139.07536	3.8
144.05910	3.2
145.10104	31.8
154.41385	3.4
163.11165	68.3
163.12463	4.4
177.11292	5.1
181.12260	5.4
209.11684	4.4
227.12749	83.3
229.26434	3.6
269.54251	3.2
283.15378	69.3
283.26224	4.1
313.27325	100.0
326.49918	3.8
521.38324	69.9
556.53113	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38874	2.3
57.07074	12.2
57.77730	2.0
59.16454	1.7
71.08625	8.4
72.68207	2.2
74.98383	2.2
85.10171	3.4
87.04452	6.2
89.06019	100.0
123.63687	2.3
130.08609	27.1
133.08597	65.7
171.91582	2.3
174.90576	2.6
177.11235	21.3
221.13792	3.1
371.22742	34.1
410.55466	3.0
445.65799	2.5
455.14548	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11242	19.9
57.07061	41.4
65.44886	19.5
71.08612	45.8
82.89003	19.7
83.08654	18.6
85.10141	26.8
89.06018	100.0
113.08483	20.8
126.15765	21.0
133.08559	51.5
144.01785	22.5
166.07716	23.8
177.11253	30.2
184.07457	27.2
271.07559	25.9
371.22714	46.5
531.79254	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1081
Annotation	2,3-Dihydro 3''-desoxydicranolomin
Peak:m/z	Relative Intensity
57.21578	9.4
58.97287	8.6
67.12695	10.5
72.80050	9.7
86.44285	10.9
90.87205	9.3
91.05466	12.5
95.36520	10.5
105.23248	10.9
119.04932	17.8
130.02007	12.1
147.04411	25.8
149.51498	10.4
153.01794	19.8
156.67128	11.5
183.57835	13.1
243.06464	17.8
299.05353	18.8
376.55179	13.9
437.05042	100.0
475.16855	13.3
557.10956	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44491	3.2
57.64140	3.7
60.91545	3.7
75.16754	4.6
79.99017	4.8
89.86390	4.4
122.09308	4.3
134.51309	5.1
142.84355	4.5
161.77556	4.8
178.09921	4.9
181.16747	4.9
195.06319	23.9
213.07393	9.0
266.86209	5.6
281.09973	23.2
299.11249	8.0
367.13541	15.5
557.22064	100.0
558.21625	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2388
Annotation	pyrochlorophyllide
Peak:m/z	Relative Intensity
56.37576	8.6
56.53125	8.4
56.96952	9.5
60.36168	11.2
61.82192	8.6
64.02395	10.1
67.34734	10.8
74.86868	9.6
75.60699	10.8
76.62273	8.6
85.02879	11.2
98.50605	11.8
109.02917	10.4
121.04298	9.7
127.94411	8.8
135.03329	9.4
189.12752	17.4
420.15570	100.0
557.24493	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79698	11.4
55.05511	17.2
55.73420	12.5
57.07063	13.6
59.84512	13.3
63.37008	10.9
66.68550	11.9
67.05489	16.3
69.03407	35.5
72.21262	13.2
81.03391	48.4
81.07034	47.0
83.08591	15.4
85.02900	100.0
91.05473	48.5
93.07027	47.8
95.04955	52.7
95.08600	54.9
101.69489	15.4
105.01887	12.4
105.07042	28.5
107.08595	50.7
109.02866	21.8
109.06524	59.1
109.10146	78.1
111.08056	82.2
113.94643	14.7
119.08575	59.1
121.10117	35.9
123.08044	27.5
124.33327	15.9
127.03902	38.8
131.08582	15.7
135.08032	98.0
137.09619	92.2
145.04936	17.3
145.10114	34.3
147.11687	21.8
151.07518	89.8
157.10089	22.5
163.11197	22.7
171.11688	23.0
189.12686	98.5
197.11751	18.4
197.13358	27.1
207.13799	54.7
225.22820	13.2
228.44254	15.5
231.17542	23.4
233.15405	64.2
255.17288	22.6
273.18378	78.4
291.19498	82.7
341.92630	18.3
361.29846	17.0
455.18570	19.3
557.25366	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05876	14.7
62.75166	14.7
67.05499	31.8
69.03414	33.8
71.22287	15.7
74.16419	14.7
75.02711	14.2
75.55323	13.4
77.14005	15.0
79.05470	19.5
81.03393	36.7
83.67171	19.2
85.02903	73.8
85.67035	17.5
91.05499	32.9
91.71649	37.4
93.07045	43.9
95.04961	38.9
95.08611	53.9
99.04464	18.3
99.13280	16.4
105.07012	24.7
107.08593	34.9
109.02892	26.6
109.06525	37.6
109.10149	37.0
111.08070	50.8
119.08591	37.3
121.10149	25.4
123.08060	43.8
127.03946	28.3
135.08025	90.6
137.09622	77.0
145.10167	41.7
151.07561	65.7
157.10129	20.6
161.13181	21.7
166.35448	17.8
171.11723	18.5
174.43611	21.0
189.12775	100.0
192.44144	19.3
197.11726	23.2
207.13789	43.1
213.99823	19.0
221.86525	19.1
233.15337	69.4
240.71602	20.6
241.25731	22.5
273.18515	71.9
283.78296	22.5
291.19571	60.7
364.90094	20.2
380.78238	20.9
423.21570	19.9
541.08221	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10285	29.6
83.08579	28.1
94.34674	26.6
105.10056	30.5
114.11697	29.1
119.08551	30.6
205.13181	33.1
233.15456	80.1
291.19626	100.0
295.54498	41.0
403.02582	41.0
536.45227	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.05490	13.8
57.03433	3.0
57.07069	3.9
67.05482	7.5
69.03413	11.7
69.07050	5.8
71.04968	5.7
79.05481	11.2
81.07057	10.2
83.08604	11.5
85.02892	20.0
85.06527	10.4
87.00828	5.7
88.41769	3.5
93.07041	16.2
95.04946	11.5
95.08608	21.2
97.06549	9.9
99.21929	3.1
105.07024	13.4
107.04958	13.7
107.08615	22.3
107.09235	4.6
109.02917	5.8
109.06504	11.7
109.10172	20.4
111.08086	10.7
113.05995	7.4
113.09657	4.8
117.07130	4.4
119.08566	26.5
121.10139	19.5
123.08060	15.8
123.11869	4.3
125.09623	8.1
127.03858	5.9
131.08575	8.1
133.10109	6.8
135.08025	17.8
137.09628	6.0
143.08560	7.5
145.10121	16.0
149.09622	7.6
151.07614	4.7
152.95341	4.1
153.09138	5.7
155.10680	10.9
157.10098	7.4
161.13255	9.4
163.11171	10.4
169.12257	9.5
171.11659	10.8
173.13242	15.1
175.11180	5.1
189.12770	17.6
191.14279	27.2
197.13283	6.2
207.13774	21.7
211.13257	7.5
213.16455	4.6
215.14357	10.8
225.14891	15.5
231.17564	6.7
233.15329	100.0
233.17519	6.8
249.18581	5.0
255.17534	11.3
273.18402	18.6
291.19467	46.8
296.36893	4.6
382.59937	4.3
415.95911	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	33.5
57.03424	18.8
67.05500	98.5
69.00739	15.0
69.07066	32.3
79.05485	51.2
81.07045	75.0
83.04971	15.3
83.08617	17.7
89.06009	44.3
91.05483	81.9
93.07056	79.3
95.04949	21.9
95.08595	64.7
99.93258	15.4
105.07021	57.7
105.17440	17.9
107.08604	40.3
109.10184	23.1
117.07021	37.0
119.08550	49.2
121.10088	25.3
124.31802	15.4
126.02735	15.4
129.07040	41.4
131.08553	61.0
133.10152	40.2
143.08551	42.2
145.10109	38.6
147.11700	41.3
154.72665	16.5
155.08591	22.3
157.10156	33.4
169.10085	37.3
171.11693	25.4
183.11720	26.6
185.13225	23.6
209.13506	19.3
228.35796	17.0
259.20477	21.8
269.90784	16.6
351.60767	18.3
447.32532	22.3
465.33362	27.0
539.37244	100.0
557.38544	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00701	13.2
55.05496	43.0
64.25500	14.0
64.31894	13.8
67.05488	61.0
67.68309	15.5
67.77141	15.5
69.07047	38.8
69.10708	13.4
76.49022	17.5
76.69420	16.6
79.05483	36.1
81.07042	77.0
83.08632	19.4
89.06035	40.2
91.05449	40.1
93.07034	74.0
95.08595	62.8
96.72717	19.7
104.10737	20.3
105.07027	62.9
107.08575	36.6
109.10164	27.2
119.08569	59.1
129.07053	28.8
131.08556	73.2
133.10106	38.5
135.11710	25.5
143.08568	23.5
145.10143	33.6
147.11760	24.2
157.10112	22.6
180.93019	17.4
184.67354	18.7
283.26633	27.1
291.82614	20.7
465.37177	31.4
557.42078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24992	14.1
52.65937	14.4
52.66225	15.8
53.30144	13.9
53.31509	16.5
59.17350	15.7
69.03389	30.7
70.58984	13.3
71.59682	15.1
77.64577	16.5
81.07037	24.5
86.41371	17.3
95.08604	30.3
113.09711	15.9
114.20063	18.7
121.10097	37.8
133.10112	27.7
139.42863	18.6
147.11678	23.2
181.71341	20.9
275.20181	37.6
293.21075	100.0
321.34262	24.6
457.17487	24.6
538.25500	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13055	3.5
55.05517	3.7
55.97770	3.6
57.72861	3.9
67.05497	5.7
71.07368	11.4
75.21228	4.0
77.70211	3.9
81.07100	8.9
83.12030	5.2
86.09695	100.0
87.62965	4.5
95.08601	9.1
99.84254	4.3
104.10760	6.4
110.83063	4.8
162.95558	59.5
175.42892	5.0
223.53294	4.7
296.76117	4.9
499.22131	55.4
531.77643	5.8
558.29474	26.3
558.76086	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58070	6.0
60.08145	11.4
79.85963	6.8
86.09698	46.6
99.30177	7.8
104.10745	100.0
110.99009	6.9
115.58712	7.0
125.00040	18.4
135.89038	7.7
184.07306	70.8
483.07733	8.5
483.42596	9.6
558.31915	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56350	11.1
55.05500	21.7
57.07065	16.6
57.19980	9.4
60.53038	10.3
66.03873	10.9
67.05502	84.1
69.07047	31.7
75.02452	10.2
79.05494	25.8
81.07044	63.5
85.02895	12.2
85.06519	14.3
91.05476	100.0
93.07040	56.3
95.08609	41.1
105.07008	74.7
107.08588	33.4
109.10172	20.5
117.07000	28.3
119.08578	58.4
121.10155	46.7
128.06090	14.8
129.07018	16.2
131.08572	30.9
133.10118	45.3
143.08543	17.4
145.10075	27.7
155.66595	12.7
157.10126	27.2
171.11700	16.0
175.11234	17.0
177.16428	12.9
185.13278	30.9
189.16432	23.5
203.17917	32.4
259.24155	20.7
269.22723	33.0
287.23749	55.8
379.28464	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98938	4.1
55.05491	5.8
57.07056	5.2
58.98917	4.7
59.43435	4.9
61.02920	4.2
62.75841	4.1
63.59137	4.0
63.81083	4.9
67.05172	8.2
67.05498	100.0
67.26783	4.1
69.07059	15.1
75.67549	4.6
79.05483	34.6
81.07045	98.1
83.08628	5.7
85.02901	7.6
85.06540	17.6
86.09678	4.5
90.39169	4.2
91.05474	35.9
92.99750	4.5
93.07035	55.4
95.04965	7.1
95.08601	52.2
97.02852	4.8
97.06526	6.2
104.10736	4.7
105.07022	22.6
107.08580	32.3
109.10144	32.6
117.07005	10.6
119.08579	26.5
121.10137	28.2
123.11703	22.9
126.46101	5.5
131.08566	25.4
133.10106	22.5
135.11696	19.4
137.13216	6.9
145.10129	12.8
147.11696	16.1
149.09702	9.9
149.13277	14.6
159.11694	11.9
161.13245	7.2
165.12767	6.1
173.13245	5.6
177.00415	5.5
177.12784	7.5
185.13312	13.3
187.14854	5.5
203.17957	6.4
247.62785	5.3
253.69623	5.7
269.22842	24.1
287.23712	14.0
349.01682	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	32.6
57.75028	5.3
63.64960	5.6
64.28519	5.3
71.81094	5.7
77.39378	5.8
95.77840	6.5
97.57343	6.5
100.62543	5.9
112.83982	6.9
121.06702	6.6
123.03254	6.8
126.76910	6.2
129.40494	6.0
140.00215	24.0
158.01234	31.9
176.02306	8.2
181.02858	31.4
199.03893	9.5
204.01715	7.6
207.41090	6.5
210.02803	6.2
227.03418	17.5
250.05020	8.3
253.12955	7.6
255.68513	7.3
294.11343	11.7
295.09677	14.8
299.09122	14.0
317.10205	20.8
340.11749	100.0
419.40073	7.1
427.41809	7.8
428.13028	11.1
430.18655	14.5
559.22601	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	5.7
60.08163	100.0
66.12893	5.4
69.07066	16.3
70.06593	11.5
72.08144	9.1
77.10406	5.8
80.28512	6.2
85.02892	10.2
86.09715	45.7
88.09113	6.5
89.46051	6.4
93.63470	6.8
110.18811	6.8
130.08646	10.0
132.10150	9.9
184.25761	8.0
248.14189	8.1
252.82449	7.0
260.52686	6.9
269.18259	7.6
273.21683	67.3
287.23233	99.2
288.41077	7.5
515.30151	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67107	18.4
60.87654	22.1
66.42233	21.4
67.05475	20.0
71.01189	22.3
71.82375	20.8
80.47652	24.5
81.07072	26.6
85.02917	32.6
85.06533	100.0
99.08075	91.3
99.87553	29.4
105.07024	31.4
114.82861	37.5
130.04950	27.8
250.87637	27.5
259.20673	62.5
282.06363	28.9
525.26648	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66229	2.9
54.03539	2.7
54.34349	3.1
59.74118	2.5
60.08169	13.1
61.75827	2.4
62.45796	2.5
63.34420	3.1
73.48773	2.8
81.07064	3.0
86.09684	43.2
104.10746	6.8
108.82858	3.1
125.00006	28.8
136.45520	3.2
146.16910	3.9
156.70647	3.1
183.17317	3.8
184.07330	100.0
235.13857	3.9
290.52359	3.8
438.70871	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32574	3.5
60.08148	9.4
65.16238	2.8
66.59995	2.9
69.33700	2.8
71.07355	5.8
79.50620	3.1
80.56965	3.1
86.09696	46.6
87.57603	3.0
94.47269	3.5
98.98462	4.5
104.10722	8.4
117.76031	3.4
124.51373	3.8
125.00010	25.8
166.02628	4.0
184.07335	100.0
256.41556	4.0
585.36853	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04030	6.6
55.38690	7.1
55.47226	6.2
56.50980	6.3
60.08168	23.1
64.08960	6.6
69.40504	6.5
69.45590	6.9
73.91993	6.5
86.09702	37.7
104.10738	100.0
120.73392	7.3
125.00008	20.8
148.86148	8.8
151.48071	8.8
167.57143	8.6
179.58766	9.3
184.07379	62.5
195.54890	8.2
207.94691	10.0
274.52585	8.0
293.65680	7.8
306.95572	9.2
340.68256	8.5
542.32391	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10501	3.8
55.39808	3.4
57.25034	3.0
59.08957	3.4
67.05502	4.7
69.78544	3.7
70.94067	3.7
73.06563	10.7
81.07050	6.0
85.06564	14.5
85.72852	4.1
87.04461	77.3
89.06023	100.0
89.06533	7.4
126.09212	15.4
129.09109	41.9
129.09933	4.6
130.08618	20.5
131.07089	9.7
132.10509	4.2
133.08598	64.8
150.49132	4.5
168.16583	4.5
170.38094	5.1
173.11804	15.7
177.11185	20.9
181.72902	4.4
188.99266	4.3
193.87642	4.5
198.84546	5.8
201.53755	4.4
221.13898	4.6
239.59508	4.9
269.25208	4.7
340.53418	5.3
360.62253	4.7
475.21759	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52908	7.1
55.05503	20.2
55.06385	5.7
57.03415	5.7
57.07061	21.2
57.51910	5.6
62.70498	5.2
67.05179	7.6
67.05500	100.0
69.07060	25.4
70.38439	4.9
71.08617	12.3
73.66796	6.4
79.05480	38.5
81.07044	84.3
83.08637	16.0
85.06532	25.7
91.03947	8.3
91.05466	39.0
93.07024	64.9
95.04973	14.6
95.08598	70.0
96.99174	6.6
97.06515	13.1
97.10161	12.4
105.07030	27.9
107.08607	30.1
109.10172	32.2
115.70377	6.9
117.07078	15.3
119.08585	27.4
121.10175	55.9
123.11720	18.4
131.08525	31.8
133.10135	27.0
135.11699	29.0
137.09586	8.5
137.13315	9.2
145.10149	33.8
147.11688	17.6
149.13249	15.2
151.11185	11.6
159.11696	19.3
165.12820	10.0
173.13255	31.1
187.14885	10.1
189.16322	7.3
191.17900	10.3
205.19446	20.9
271.24164	79.3
289.25226	49.5
363.28864	13.1
416.43451	7.9
583.54413	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20144	4.2
55.05490	24.9
57.03422	6.9
57.07062	15.5
60.50481	4.6
61.02891	7.0
67.05492	99.8
69.07041	18.1
69.80011	5.7
71.08613	8.3
75.49334	6.1
79.05482	40.8
81.07044	100.0
83.04937	7.1
83.08617	9.4
91.05462	30.8
93.07037	72.1
95.04983	7.3
95.08595	97.0
97.06506	9.0
105.07018	26.0
107.08579	45.5
109.10147	30.4
113.09644	6.5
117.07014	14.0
119.08595	18.3
121.10138	35.4
123.11665	17.7
131.08571	24.1
133.10153	9.4
135.11697	25.4
137.13274	10.0
145.10106	21.8
147.11676	11.1
149.13264	17.2
159.11697	11.9
161.13321	7.8
169.92979	6.5
173.13289	14.4
177.16402	12.5
187.14795	8.6
191.18004	11.3
201.16435	11.9
205.65926	7.3
236.19164	8.0
271.24222	21.0
289.25168	62.1
330.38983	8.4
363.28915	26.5
374.50760	7.6
381.29947	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	45.1
67.05477	87.4
69.07101	19.6
71.08616	40.2
76.62481	19.6
81.07048	22.2
83.44443	18.2
83.62004	19.4
89.09647	24.4
95.08577	44.5
109.09414	19.5
109.10161	70.5
114.09102	27.9
196.78180	23.7
365.88065	22.9
405.76450	24.5
407.96878	26.5
467.37302	100.0
525.41229	36.0
557.14819	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74685	71.0
55.01876	76.8
67.36164	83.7
70.30898	82.3
78.01894	74.4
80.58509	94.7
86.62621	90.9
98.97573	90.2
106.73435	81.6
123.36892	80.9
125.24471	84.1
136.80684	85.5
150.65559	89.8
177.01971	90.3
254.37917	97.1
475.20859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13857	8.4
61.54327	8.8
62.59189	8.9
63.33189	7.4
65.57561	8.4
74.68107	8.0
86.09713	16.1
87.44826	11.0
97.23064	9.4
105.98108	10.6
129.36443	9.2
129.88182	9.8
249.57361	10.8
253.03529	11.2
313.17990	13.8
385.85004	10.8
475.23004	15.7
517.23853	55.1
561.22833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44899	10.4
70.67417	11.3
88.37270	11.5
91.71638	29.1
94.16823	14.8
306.40976	14.9
418.08350	16.8
475.22592	39.3
517.24072	100.0
553.77136	15.0
561.23029	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.231
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06573	4.1
73.33570	3.9
82.29575	4.8
97.07565	4.0
144.70656	5.5
155.42429	4.9
313.17746	9.1
475.22809	13.7
517.24103	40.6
561.22968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	6.1
57.26283	5.2
64.22560	5.2
66.30231	4.4
67.05500	7.9
69.08463	4.5
73.54244	5.0
84.04495	100.0
86.09704	7.6
93.07029	6.5
102.05514	32.1
121.10147	10.9
130.04999	27.9
148.06078	13.7
198.05011	5.7
249.18553	16.2
255.67317	6.7
284.51166	7.0
291.95499	5.9
322.45593	6.4
396.23523	10.8
397.91525	6.4
426.85751	6.1
529.14069	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3033
Annotation	13beta,29-Dihydroxymilbemycin A3
Peak:m/z	Relative Intensity
59.35451	2.1
62.92599	2.1
67.05486	2.7
108.97168	2.4
125.14803	2.7
188.95621	3.0
350.59845	3.0
561.30298	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82069	13.2
69.04052	13.7
73.13373	15.2
81.33783	13.2
94.89480	14.3
104.97612	14.7
109.02828	16.5
111.06615	15.0
117.13694	14.9
175.66443	15.7
183.11330	19.1
197.08070	100.0
208.61687	18.9
474.66922	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	31.1
62.44683	10.0
64.58976	12.1
67.05476	15.8
69.07048	11.4
81.07040	24.4
85.06525	21.1
91.71706	29.9
109.06508	22.1
113.82401	12.4
135.08064	13.6
137.05934	13.6
205.63022	14.4
233.67021	15.1
267.01144	14.4
347.25775	50.2
360.48004	14.6
365.26797	19.0
421.29504	100.0
449.43857	17.2
482.86563	15.8
518.10095	15.9
562.31500	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.6
57.03434	5.1
57.07066	6.0
60.38850	5.3
67.05500	15.8
69.07046	30.2
81.07042	26.8
83.04969	7.5
83.08614	8.7
91.05463	11.5
93.07034	15.6
95.04944	6.0
95.08595	26.9
95.62263	5.6
97.06527	6.2
97.50155	5.8
103.01263	5.3
107.08571	21.6
108.38284	6.4
108.78845	5.5
109.06509	13.7
109.10168	7.0
121.10201	11.0
123.08082	8.0
135.08026	8.6
137.05957	12.3
147.11609	7.3
176.19792	6.1
184.07349	7.6
257.17468	8.1
305.24683	31.7
319.26245	15.6
347.25812	54.5
365.26837	26.0
421.29477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91895	1.2
54.10970	1.0
73.04750	4.1
73.06508	1.6
77.00592	15.5
79.02173	2.3
87.04472	1.8
89.06006	8.5
91.05780	8.1
91.71591	1.9
94.03204	1.4
95.01634	60.8
99.02650	2.8
102.03739	5.5
103.02165	1.8
113.02615	1.9
114.07365	25.6
114.08102	2.3
117.03704	3.6
117.07375	2.3
118.03210	100.0
119.01614	4.4
119.03576	3.3
121.03162	9.9
130.08635	2.8
133.08624	2.7
142.06879	1.7
144.04779	8.9
145.06784	36.6
147.04713	69.2
161.09889	1.6
162.05869	2.1
165.05748	9.2
186.09428	2.1
188.07402	13.3
189.09401	17.5
191.07326	14.7
203.73395	1.5
221.08742	1.9
233.12042	3.9
235.09903	8.1
239.09380	7.0
277.14740	3.3
365.19907	12.8
373.18698	1.7
377.61725	1.5
504.32529	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32148	4.7
58.25790	4.6
58.54277	4.9
60.08142	18.3
60.10724	4.7
60.49182	6.5
61.57496	5.4
63.87603	4.5
69.34853	5.5
86.09687	60.9
104.10738	100.0
125.00004	24.8
160.60139	6.5
184.07347	69.8
219.23351	7.1
243.02983	7.2
430.11273	8.9
506.95929	7.3
562.34985	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04388	1.8
51.87916	1.5
56.41667	1.9
56.45583	1.6
60.08160	10.9
62.01895	1.6
64.54514	1.7
67.05474	1.9
71.07350	4.2
81.07076	3.5
86.09701	36.2
98.98450	2.3
104.10699	3.1
122.62102	2.1
125.00003	19.0
156.11490	2.3
184.07339	100.0
240.24962	2.3
475.78979	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63271	9.8
55.39351	11.1
60.08144	20.8
73.69450	10.8
86.09686	57.1
89.34691	11.5
102.63982	11.2
104.10756	100.0
110.37605	11.8
119.81696	15.6
125.00001	20.4
126.26944	12.2
153.00188	14.1
180.14619	15.5
184.07359	64.4
203.80275	18.1
253.19904	13.5
269.43399	15.6
295.58002	16.2
328.16858	16.9
370.12296	16.0
562.35132	23.6
576.71796	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96103	10.9
67.92621	10.8
69.87983	12.3
85.02912	18.1
91.05476	16.5
114.28728	12.2
114.61332	12.6
115.05504	15.0
115.50340	12.9
117.46727	11.5
135.08047	100.0
165.97421	13.3
166.84224	13.7
168.67422	12.6
169.84734	14.8
244.72665	14.3
296.19208	16.9
396.94940	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.9
57.03426	7.4
65.93451	5.6
65.93815	5.5
67.05468	8.9
69.03408	20.2
69.07032	7.8
74.09676	6.1
75.23524	5.7
79.05488	7.1
81.03407	18.6
81.07034	13.9
81.71484	6.0
85.02877	12.0
85.06525	37.3
87.00814	9.5
91.05482	11.4
93.07030	8.4
95.08594	27.9
97.02878	8.7
105.07043	15.9
107.08559	14.4
109.02874	12.8
109.10168	13.7
119.08578	21.0
121.10165	14.6
127.03868	16.6
131.08624	9.7
133.10146	18.2
145.10139	15.2
159.11688	13.6
161.13188	8.3
169.10011	9.6
173.13298	10.6
195.11676	7.2
197.13309	9.6
201.86279	7.1
209.13168	11.1
211.14859	15.9
223.14755	15.0
228.54790	7.3
237.16380	10.5
253.19582	16.3
279.21118	11.5
297.22073	100.0
299.68069	8.1
315.23276	10.0
388.63409	8.0
413.94760	7.7
563.28455	26.5
565.20758	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64598	1.3
55.14995	1.2
57.64152	1.2
58.19513	1.3
60.48427	1.1
65.50614	1.2
83.48485	1.5
91.66443	1.4
91.71704	2.0
125.88892	1.9
142.52083	1.7
331.01233	2.0
563.31830	100.0
564.31476	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35176	4.7
55.05511	4.1
58.84743	4.3
73.79650	4.3
81.07039	5.2
88.83060	4.4
91.05457	5.4
91.70991	8.9
184.07422	9.6
210.18689	4.7
268.22870	4.9
346.75134	5.1
373.27640	5.4
382.52115	5.0
394.39371	5.0
545.37103	5.1
563.31659	100.0
564.32269	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60693	6.5
52.91918	6.6
53.51504	6.1
55.26376	6.8
56.53385	6.5
67.05481	20.5
70.06572	14.7
81.07057	18.4
84.04494	72.5
85.02896	14.7
86.09714	11.9
90.58030	7.8
91.05484	11.0
94.93011	7.8
95.30835	6.9
102.05552	34.7
105.07007	20.4
107.08592	19.6
109.10153	37.1
112.08706	10.9
121.43425	7.5
130.05006	73.8
133.10132	46.6
134.52536	8.1
148.06029	95.2
151.11194	14.9
160.62073	9.1
184.61203	8.4
246.75197	9.4
251.25601	11.6
298.16464	100.0
316.17480	38.3
343.06949	9.3
397.59445	11.1
500.47250	10.1
516.82379	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.6
61.01882	4.0
63.80010	3.7
67.05498	22.7
69.07046	15.7
71.08615	23.5
74.71601	3.8
79.05486	9.7
81.03397	8.5
81.07045	24.5
83.04971	4.7
83.08606	9.7
85.02917	5.9
87.50182	5.1
91.05481	14.1
93.07040	14.7
95.04956	9.7
95.08610	8.9
97.10155	8.4
98.89024	4.4
99.08096	11.4
103.11951	5.3
105.07045	8.5
106.09676	4.4
107.04958	5.6
107.08561	12.6
109.06525	5.4
109.10140	8.7
119.08537	6.9
129.06978	5.0
129.73465	4.3
133.10133	13.2
138.05898	6.6
193.12329	6.0
211.13206	5.0
240.54987	4.8
275.19986	11.8
285.16904	11.0
293.21075	95.2
312.53983	5.9
367.24780	100.0
408.15463	5.3
408.20877	7.0
454.25781	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43686	5.0
55.05497	24.4
55.44321	4.8
57.03413	6.1
57.05801	5.1
67.05492	20.9
69.07066	12.2
70.63091	5.1
71.54626	5.2
79.05482	19.2
81.07042	30.3
82.80468	5.6
83.04971	10.1
83.08623	13.0
85.02885	6.5
86.09762	5.7
90.27206	7.7
91.05480	22.3
93.07038	25.2
95.04971	46.9
95.08608	10.7
97.10160	9.3
105.07025	15.6
107.08563	16.0
109.67339	7.3
111.04430	15.6
119.08616	7.0
121.10125	11.7
131.08594	9.9
149.09669	13.8
163.11182	19.4
184.07321	8.3
189.11392	8.6
223.13217	13.1
257.18994	6.7
275.20078	29.3
293.21085	13.3
355.10764	7.3
367.24829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61698	3.6
55.05499	6.9
57.03408	4.2
60.89505	3.5
67.05473	13.6
69.03417	4.9
69.07050	8.3
71.08620	18.2
79.05476	10.3
80.89934	3.9
81.03370	6.7
81.07053	13.5
83.08586	4.3
91.05464	6.3
93.07025	11.4
95.04997	6.2
95.08606	7.7
105.07048	6.1
107.04910	5.1
107.08595	8.2
109.10159	8.6
114.65920	4.3
119.08640	5.3
121.10097	5.9
137.09695	5.0
225.55798	6.1
241.36235	4.8
265.43793	4.8
275.20139	7.2
285.17114	14.1
292.66257	5.2
293.21112	100.0
293.24530	5.2
342.01309	7.4
367.24677	47.6
528.68384	5.6
564.31250	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	31.1
66.26655	24.8
66.29015	23.7
67.05492	44.1
91.05499	34.8
93.07020	66.7
95.04963	82.4
107.08651	27.7
117.07070	33.8
118.35879	30.0
121.42083	28.7
200.94162	33.2
223.13309	44.5
289.10431	31.5
367.24902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07398	4.7
57.08466	4.5
69.07069	11.2
72.08157	57.4
86.09690	76.8
91.05441	8.5
98.33378	7.4
99.72943	6.6
119.04970	9.8
136.07571	100.0
180.70238	6.1
185.16513	12.5
213.15927	14.8
233.96893	6.3
235.14410	25.3
263.13901	29.1
290.56958	6.4
376.22226	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42250	7.0
57.02217	6.6
59.16597	7.7
60.08154	19.6
63.30016	6.7
63.42937	7.3
68.27433	8.0
86.09703	51.8
91.71654	14.3
104.10733	100.0
106.24655	8.6
125.00008	26.6
131.53777	8.4
184.07310	73.0
249.16170	9.4
272.72617	9.7
292.07092	10.4
546.35358	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39360	4.8
69.07040	6.7
69.12484	6.4
80.29805	5.8
88.39665	6.7
156.82574	6.6
197.81831	8.9
358.46857	7.6
565.33350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	4.9
78.48106	4.0
107.62914	3.9
166.42395	4.2
199.55212	4.5
449.32559	5.1
453.05820	4.6
565.33386	100.0
566.33716	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	16.2
57.07063	17.9
67.05488	29.0
69.07070	16.9
75.19475	9.8
79.05473	20.9
81.07050	43.8
85.06571	11.4
88.02407	9.7
91.05476	35.3
93.07026	46.1
95.04965	31.9
95.08597	26.2
97.06550	11.1
105.07035	92.1
107.08604	43.3
109.10157	26.4
112.75101	9.4
117.07010	22.3
119.08570	100.0
121.10090	56.7
123.08046	16.5
128.06241	18.4
129.06999	26.4
131.08601	30.7
133.10159	34.5
135.08060	13.3
135.11719	15.0
137.09584	12.8
142.07796	23.0
143.08557	49.7
145.10117	48.1
147.08076	15.3
147.11720	18.9
151.07637	15.6
155.08534	26.3
157.10135	65.3
159.11578	25.6
165.09119	21.9
167.08591	15.5
169.10168	26.1
171.11693	31.1
173.13245	32.2
174.58998	11.3
179.08543	15.3
181.10173	17.4
181.12360	18.2
183.11710	15.8
185.13293	14.0
188.18411	11.0
193.10229	13.0
194.10854	15.4
195.11703	22.2
207.11789	16.0
209.13264	23.2
211.14821	15.9
221.15381	36.5
233.13147	16.6
235.14767	12.2
253.19490	13.7
263.18103	13.3
265.19388	14.0
410.65918	14.2
473.34225	14.8
526.64612	14.1
565.40375	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50869	9.4
55.05495	21.4
57.07054	12.2
59.67505	8.9
60.98672	10.4
67.05484	30.4
69.07053	27.0
79.05486	14.8
81.07053	35.6
85.06558	15.2
88.16501	11.2
91.05463	57.1
93.07042	50.6
95.04946	16.8
95.08604	38.3
105.07026	76.9
107.08589	37.2
109.10108	25.2
117.06993	18.9
119.08562	100.0
121.10143	56.4
123.08089	19.5
128.06339	16.4
129.06998	19.8
131.08565	36.8
133.10150	44.0
135.11749	13.8
142.07794	31.3
143.08571	43.5
145.10135	51.1
147.11714	17.0
149.09647	15.3
155.08530	20.7
156.09386	13.4
157.10152	46.9
159.11688	22.8
165.07088	17.8
167.10678	17.6
169.10078	30.7
171.11678	37.7
173.13205	23.2
179.08615	15.3
183.11652	19.4
194.10938	24.4
199.14961	15.9
221.13200	24.2
221.15282	21.9
281.13123	13.3
303.63589	15.1
565.40039	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.7
57.07066	17.3
67.05492	42.7
69.03437	17.2
69.07055	24.2
79.05490	21.9
81.07059	48.4
81.71243	7.9
83.04939	12.4
83.08587	7.2
91.05473	74.6
93.07034	76.3
95.04957	29.1
95.08604	44.7
105.07010	97.0
107.08589	62.8
109.06519	7.9
109.10174	33.4
115.05451	10.2
117.07034	23.1
119.08569	100.0
119.17141	7.2
121.10126	71.5
123.08050	10.7
123.11736	15.1
125.05978	12.0
128.06218	14.9
129.07059	17.6
130.07793	20.8
131.08533	30.3
133.10121	58.8
135.08098	9.4
135.11696	23.9
135.93828	7.7
137.09610	10.9
142.07773	29.4
143.08553	48.7
145.10104	53.9
147.08040	20.7
147.11644	19.9
155.08589	17.8
156.09273	17.3
157.10077	71.0
158.10971	12.0
159.11703	30.7
163.11203	14.6
165.09128	24.3
167.08565	15.2
167.10727	13.9
168.09442	8.7
169.10129	18.7
171.11711	16.3
173.13266	24.9
179.08606	16.3
180.09308	10.4
181.10175	19.2
181.12242	19.3
182.10968	15.0
183.11702	26.0
185.13287	25.9
193.10091	12.0
194.10948	12.6
195.11729	25.6
197.13295	18.6
199.14856	15.9
203.14336	14.0
206.10876	10.2
207.11705	24.2
209.13287	29.0
211.14844	9.8
217.10086	13.6
218.10957	10.8
220.12576	11.1
221.13344	19.0
221.15419	47.7
223.14816	13.1
232.12454	9.6
233.13121	15.0
235.14772	14.7
245.13315	15.6
249.16490	15.8
250.92635	9.7
258.14160	12.9
263.72821	9.3
265.19507	11.0
275.17984	11.6
285.16284	8.9
473.34094	11.4
565.40540	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41170	2.0
53.03931	3.5
54.18148	2.2
55.01851	5.5
57.03423	5.2
59.03300	2.1
61.02903	5.6
61.32700	2.2
69.03413	32.5
71.04995	3.4
71.61795	2.1
73.02920	3.9
74.12958	2.4
81.03410	24.8
85.02892	100.0
87.00816	21.1
91.71648	5.4
92.21322	2.7
97.02872	30.3
99.04438	11.2
103.03929	11.9
105.01852	49.8
109.02875	19.6
117.07008	3.9
121.06494	33.6
127.03895	45.6
143.31917	2.9
145.04967	13.4
145.06453	10.9
147.02995	3.8
147.04396	6.9
159.02908	5.4
163.07509	10.8
173.05989	5.8
183.08075	5.5
187.07446	15.8
189.03928	28.8
201.09000	3.7
205.08548	18.5
211.07529	5.8
222.37637	2.7
229.08505	19.7
231.05060	16.0
238.40909	2.8
247.09569	19.2
315.08929	4.4
315.45404	3.4
333.09662	13.4
351.10654	8.2
365.99307	3.3
369.11652	6.8
372.59982	3.0
374.02991	2.6
470.59079	3.5
549.69543	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.309
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	11.6
64.78082	0.9
71.07366	3.3
86.09698	47.9
98.98438	4.5
104.10736	5.5
104.11349	1.0
124.99988	24.9
127.46576	1.2
133.57394	1.1
166.02592	1.8
177.61392	1.3
184.07330	100.0
217.33353	1.2
225.62555	1.1
270.16708	1.3
316.52087	1.3
369.24323	1.2
460.98065	1.2
498.16852	1.4
559.77930	1.4
566.30933	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	8.4
64.86803	0.6
67.05478	0.9
67.24997	0.6
70.06550	1.2
71.07354	4.5
75.28667	0.6
81.07051	0.8
86.09695	42.3
98.98432	2.7
104.10741	3.8
110.36716	0.7
124.99989	22.6
166.02621	1.7
184.07324	100.0
185.07603	1.4
325.75089	0.8
332.63672	0.8
342.13553	1.2
566.30817	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.2
55.88200	1.7
60.08158	20.6
65.44124	1.7
66.55608	1.6
70.06586	22.3
71.07381	5.6
86.09694	65.3
86.10214	4.6
91.05430	2.4
93.07030	2.3
95.57802	2.0
96.12825	1.9
98.00214	2.2
104.10029	5.1
104.10737	100.0
112.99935	2.3
120.08132	4.6
125.00002	21.7
168.04942	2.5
173.23647	2.7
184.07326	76.8
184.08925	4.6
548.29602	4.8
566.30957	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	61.7
69.07056	18.1
71.07359	22.8
79.05471	27.4
81.07063	38.8
86.09697	99.1
87.12926	15.7
91.05476	35.9
93.07030	44.6
95.08601	38.9
105.07020	16.9
112.17619	16.3
129.05484	27.8
146.98146	100.0
147.67752	18.0
153.27545	16.1
495.84424	17.2
498.02505	20.6
507.24710	65.9
566.32233	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77716	22.6
57.03447	25.1
67.05486	100.0
71.07376	26.1
79.18645	30.5
81.07044	85.2
81.67733	29.7
93.07035	39.2
95.08555	33.1
99.80331	32.7
107.08569	48.7
110.95103	28.7
111.79092	27.8
113.09610	32.3
193.81461	37.3
235.68639	35.2
269.17407	99.4
277.21457	56.4
295.22479	64.8
351.25250	41.0
366.45264	48.2
369.26300	47.9
459.95724	37.9
528.46484	33.3
574.69037	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20923	9.6
84.46793	10.2
95.08626	14.4
105.06970	11.1
108.71101	9.4
117.79782	9.2
124.08322	11.5
142.75891	10.8
176.39076	12.6
282.22543	12.1
337.82635	11.9
567.28033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38720	3.4
56.96566	12.1
69.07083	6.1
70.06593	6.1
81.07051	9.4
86.09722	8.9
95.08624	7.1
98.97570	62.6
98.98122	4.9
104.30011	4.1
105.06983	5.3
109.10155	5.3
112.33509	3.6
116.98602	33.4
119.08611	5.4
122.91236	3.8
134.61012	4.2
134.69563	4.4
134.99696	16.4
140.00186	39.1
145.22371	3.8
158.01239	32.1
158.99637	49.9
176.02333	7.1
177.00691	34.4
181.01572	4.8
181.02768	22.2
184.07352	21.7
200.02295	93.3
218.03474	5.7
219.01724	21.3
237.02829	7.2
239.68863	4.4
241.05031	5.9
242.03711	6.5
260.04501	18.2
279.03818	8.6
283.06244	6.5
296.83719	4.6
392.95419	4.5
447.90952	5.1
548.29034	14.1
567.28381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81211	5.0
55.01874	8.8
55.05494	7.7
56.21013	5.6
57.03428	10.1
65.03944	7.4
67.05497	39.8
69.07066	9.3
71.08631	5.1
71.54861	5.2
79.05504	22.5
81.03410	15.4
81.07067	25.9
82.03347	6.1
83.04986	6.2
91.05470	100.0
93.07073	27.2
95.04971	9.4
95.08616	15.5
97.06535	9.5
105.07035	36.6
107.04979	11.4
109.10168	6.9
115.05521	7.1
117.07008	49.6
119.08566	31.9
121.21985	6.7
127.80849	5.9
128.06284	24.0
129.07002	44.4
131.08607	15.8
133.10156	16.7
143.08621	29.0
145.10118	14.0
147.07997	9.1
159.11629	7.0
161.09601	8.8
161.90138	7.2
171.08093	14.8
189.09146	15.4
203.17938	13.6
205.71881	6.6
251.71051	7.8
263.13055	8.1
269.22711	11.8
358.18243	8.4
487.15503	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50118	21.2
60.07994	25.0
67.05476	31.9
73.51147	24.0
79.05492	54.8
81.07039	35.5
81.63537	23.0
84.84364	20.3
91.05458	100.0
93.07063	27.1
117.07021	52.8
119.08572	51.9
128.06241	27.5
129.07051	42.5
203.18011	31.8
208.18417	25.9
234.23920	25.0
251.63121	27.5
277.50241	28.5
350.91650	33.4
414.56177	33.8
567.32947	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14903	2.0
58.42136	1.9
60.08147	8.7
68.31129	2.5
69.03357	2.1
70.06582	2.7
71.07357	3.9
71.38970	2.1
86.09694	46.0
91.71597	2.9
98.98410	3.0
104.10744	8.5
121.14659	3.0
124.99986	25.3
162.93791	2.6
184.07324	100.0
226.93376	2.9
245.14833	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	30.0
71.08640	27.3
81.07074	17.5
87.04485	49.9
93.07046	17.3
106.08542	11.5
114.13332	12.9
184.07423	18.6
207.27766	12.4
218.17145	12.1
238.46205	12.2
247.86501	13.4
313.27426	18.0
314.95145	13.8
322.18176	13.8
427.30295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98562	2.4
58.31898	2.4
59.22493	2.4
60.08145	9.1
69.53855	2.4
70.06574	2.8
71.07373	4.9
74.11584	2.6
82.29745	3.3
85.93757	3.0
86.09698	48.4
93.96458	2.7
98.98444	3.0
104.10712	5.4
114.51466	3.1
119.02702	3.4
125.00007	24.4
137.63094	3.9
184.07333	100.0
198.67720	3.5
283.38556	3.1
334.37152	3.1
566.35327	3.4
568.32623	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	9.9
60.22494	0.8
67.40359	0.9
71.07359	5.4
79.32215	1.0
80.55437	1.0
85.01242	0.9
86.09699	42.3
98.98446	3.4
101.39011	1.1
104.10751	5.7
109.05810	0.8
124.99993	25.0
160.81630	1.0
184.07332	100.0
209.66316	1.2
272.45010	1.1
407.19434	1.2
410.40656	1.3
568.32159	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80720	58.0
55.17472	69.4
60.04538	72.8
69.07048	77.1
72.92692	71.6
74.34435	60.0
81.07024	85.5
89.77451	73.0
91.05441	84.9
92.20735	80.9
96.97042	96.4
103.23009	69.9
105.06995	100.0
112.30283	67.5
121.10132	96.2
129.28426	79.2
145.09976	86.1
175.68013	85.6
216.83600	81.7
229.43065	84.2
232.03157	85.1
293.00842	94.3
332.30569	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04198	10.8
55.97560	10.2
56.57964	11.2
56.96572	62.2
70.06598	28.0
84.96045	24.6
89.86980	12.3
91.63768	13.2
91.71670	16.8
98.97612	48.4
99.66898	13.7
116.98659	47.9
119.05050	19.1
131.32188	14.1
134.99687	18.9
135.18837	13.3
140.00247	58.0
141.20093	12.5
147.04451	22.5
152.00284	17.2
158.01292	31.6
161.01311	21.3
174.74515	13.1
196.84227	13.3
213.04372	21.7
236.05939	19.6
237.02821	19.7
239.02290	27.4
262.03888	36.7
283.06174	20.6
285.05493	31.8
365.05338	88.0
406.08240	50.1
407.06531	72.9
423.06192	16.6
448.09406	42.7
465.07190	100.0
525.10132	22.8
569.09613	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19878	13.5
56.96562	100.0
60.11512	15.3
62.95913	15.1
63.67809	16.2
67.79261	14.0
70.06575	32.4
75.93994	16.4
84.96029	53.3
85.21655	16.5
98.02437	14.2
98.97594	55.1
116.98618	64.1
134.99675	35.4
135.64529	17.2
140.00215	70.9
147.04416	40.8
158.01245	27.9
203.21953	18.2
213.04341	41.0
236.06029	24.1
239.02293	23.4
242.03249	28.5
244.02788	20.9
262.04037	28.5
285.05502	30.3
331.73093	17.7
365.05411	34.0
375.03268	17.3
407.06400	56.1
448.09274	40.5
449.06808	27.7
483.08231	53.2
525.09222	64.3
569.09229	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16914	3.6
70.06588	27.4
71.06924	3.9
81.24979	4.8
82.50278	4.2
87.32010	4.1
88.46804	4.7
91.05517	10.4
114.84921	4.9
116.07083	10.3
119.04934	18.7
127.34083	4.0
127.93153	4.2
147.04407	100.0
175.11882	11.3
213.12361	6.7
246.47636	5.0
246.88075	5.1
256.33923	5.0
321.15524	6.9
431.97168	4.5
525.20929	9.9
569.20581	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26057	5.5
55.82799	6.0
57.41707	7.1
60.42068	6.4
71.77654	6.5
74.23943	7.0
77.00887	7.3
94.37399	7.8
112.28773	7.8
142.03522	8.4
143.01912	10.7
145.59663	7.1
151.55249	7.2
156.05078	15.5
173.02892	7.9
184.04601	21.4
233.98479	8.8
240.93008	8.1
259.32294	8.7
266.01608	8.6
273.16937	49.8
291.18027	28.8
291.68985	8.7
309.19077	19.5
314.19571	100.0
332.20636	30.9
333.19025	10.1
347.20663	12.5
355.22208	32.7
453.23160	20.0
509.26007	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38099	4.9
53.00439	4.4
56.11847	4.2
61.19263	4.7
69.96010	4.9
70.79288	4.9
73.99773	5.5
78.05251	5.5
78.75184	5.3
124.84612	6.4
144.63275	6.2
211.82646	7.6
393.07489	6.0
402.49033	6.5
520.19727	6.3
569.29297	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
76.33730	11.6
89.24198	11.2
89.44793	11.8
114.62539	11.8
204.86374	15.5
257.87076	14.6
272.79163	13.8
569.29260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98240	4.1
69.37643	4.2
91.71684	5.4
113.04263	4.8
128.97136	5.3
141.11638	5.2
195.45775	6.1
353.99899	6.0
424.59735	6.8
569.29193	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02856	6.6
78.89629	7.3
83.42615	8.1
101.68721	8.8
117.70698	8.2
201.23880	9.1
237.00328	9.9
507.44714	10.1
569.29321	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29893	14.3
67.05492	48.1
69.07068	20.9
71.08624	40.3
79.05492	44.9
81.07050	66.2
91.05492	100.0
93.07040	72.0
95.04944	21.2
95.08591	31.7
97.10175	16.2
101.32961	18.1
105.07054	46.8
107.08597	34.7
117.07018	24.6
118.08452	15.4
119.08673	30.8
121.10101	25.8
131.08563	17.7
135.08095	15.2
135.11673	29.3
139.50861	16.2
139.52072	16.6
148.89273	15.4
157.96094	19.0
179.14272	57.8
239.83052	19.5
255.22499	18.4
273.69388	19.1
277.21701	54.9
279.51599	17.0
315.21484	18.2
380.70203	21.1
385.91110	26.1
477.29105	23.3
569.38586	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16372	7.9
50.30793	11.0
50.82152	10.0
55.05495	16.7
57.03415	32.2
57.07060	17.4
67.05491	99.5
69.07072	13.5
71.04986	9.9
71.08608	11.9
79.05486	67.3
81.03411	40.9
81.07042	51.0
83.04990	17.5
83.08571	9.7
89.06030	17.9
91.05466	100.0
93.07029	63.1
95.04944	29.2
95.08603	25.1
105.07015	46.2
107.04945	39.4
107.08585	17.4
111.02678	9.8
117.07008	47.6
119.08573	48.6
121.06454	11.5
121.10174	17.7
128.06209	14.2
129.06982	26.9
131.08586	48.6
133.10168	25.6
135.11690	16.7
139.85562	11.8
143.08571	19.9
145.10127	42.4
147.07988	13.4
149.25729	12.0
153.06949	12.4
155.08499	16.2
163.11096	31.0
173.09668	18.7
191.10733	16.0
203.17963	13.3
229.19547	11.8
265.14294	64.1
287.23593	16.4
305.09412	18.6
318.86081	14.8
351.37210	14.0
361.27316	21.2
448.60367	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03328	2.6
60.08155	8.2
65.35001	3.3
68.36849	3.4
71.07370	6.0
86.09709	44.5
91.90912	3.5
98.98476	4.4
104.10735	15.3
125.00015	23.3
128.29083	3.4
128.45898	3.0
153.01749	4.0
182.10899	3.2
184.07336	100.0
209.61862	3.3
309.03287	3.6
341.55075	3.8
352.39279	3.6
558.34912	4.3
565.75323	4.1
571.08411	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33016	1.6
60.08144	9.3
71.07351	3.7
85.53674	2.1
86.09698	41.4
98.98487	2.4
104.10718	5.6
124.99996	22.3
153.01778	2.3
168.31917	2.4
184.07318	100.0
206.30431	2.2
405.06171	2.9
412.20508	3.3
496.08588	2.7
571.08368	10.9
584.11450	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	14.1
61.44868	8.5
65.64819	8.2
67.31241	9.5
70.06577	29.4
85.12827	8.6
88.07629	41.9
91.71748	10.4
102.09181	27.6
105.03402	32.3
105.68488	9.3
127.32259	10.3
143.91652	9.3
149.02388	21.4
149.05960	100.0
211.89757	10.1
223.03493	9.4
256.26300	66.9
297.07532	16.9
304.83960	9.8
330.27847	12.1
341.10062	53.1
437.61523	11.1
570.34094	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32774	1.4
60.08154	8.3
70.06570	1.5
71.07365	5.1
71.27038	1.5
76.10871	1.4
81.07011	1.4
86.09698	41.3
87.82906	1.4
94.75836	1.8
95.59480	1.6
98.98484	2.9
104.10747	4.0
125.00006	18.1
184.07327	100.0
196.01175	1.9
237.74062	1.7
254.39813	2.2
282.95688	2.1
296.88290	1.9
397.79568	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0858
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
50.39645	1.6
67.01869	2.6
68.99786	2.7
70.06585	5.5
70.57475	1.7
77.87477	1.7
79.77113	1.8
86.09706	5.8
88.23240	1.9
91.71647	3.0
105.03382	2.5
121.25953	1.8
123.04472	5.5
137.02313	2.1
147.04335	3.3
149.02391	2.1
151.03925	2.3
153.01836	25.1
156.00906	2.0
161.02335	3.8
171.02931	2.6
187.03897	3.1
191.03305	2.3
213.05481	4.2
229.04982	6.6
243.02849	4.1
243.68654	2.5
253.04851	2.7
255.60953	2.3
257.04407	5.8
271.02359	10.9
281.04553	2.7
287.05405	4.3
293.04370	4.1
299.05792	2.7
309.03925	2.2
347.05417	3.2
363.05399	2.9
377.06714	4.7
386.41727	2.6
405.06305	12.5
483.07043	5.8
493.50604	2.7
511.06543	9.0
571.08624	100.0
572.08984	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0872
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
66.33464	1.4
67.01860	3.8
68.99783	2.4
86.09678	2.5
123.30473	1.7
135.04327	1.9
137.02367	6.6
153.01817	14.8
166.43602	1.7
167.87257	1.6
243.06474	2.8
271.06122	5.0
285.04001	2.0
286.04727	4.6
299.05377	12.1
312.25751	2.2
323.05551	5.2
327.05090	3.0
335.05554	5.3
337.07126	2.1
347.05322	2.1
351.05032	5.3
363.05005	5.9
377.23907	2.6
393.06116	7.0
419.04001	6.8
437.05087	4.5
527.09210	2.9
529.07379	2.2
571.08667	100.0
572.08972	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0875
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
52.34739	3.5
53.63010	4.0
56.23766	3.3
60.08152	17.3
62.60162	3.4
67.01840	3.4
68.99757	4.5
70.64187	4.0
72.08144	3.6
77.39523	3.9
81.07057	5.1
86.09702	63.7
88.22417	3.7
97.62878	3.7
104.10739	68.6
105.11105	4.2
112.67494	4.2
125.00003	20.2
153.01859	27.6
161.02324	5.1
161.27718	3.9
163.85069	4.1
184.07349	70.7
205.37109	4.9
228.13387	5.5
299.05582	5.1
405.05939	5.1
511.06732	9.3
529.07678	6.3
552.32635	5.6
571.08698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0871
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
67.01830	3.6
75.86237	3.4
77.87189	3.4
78.35076	3.3
137.02371	5.1
153.01826	21.0
165.60568	4.4
229.04991	10.4
287.05630	10.8
299.05457	6.2
419.07712	22.6
445.05817	5.4
571.08795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0873
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
54.33924	1.2
55.21367	1.1
58.78561	1.1
60.08142	3.8
60.08768	1.1
67.01846	5.6
68.99776	4.2
71.07343	1.2
72.60244	1.4
83.87672	1.5
86.09684	13.4
89.74220	1.4
92.99754	6.0
104.10725	2.4
105.03382	3.2
115.05453	2.3
121.02886	1.4
123.04430	2.4
124.98604	1.4
124.99960	8.5
127.31887	1.5
137.02341	3.2
146.41856	1.5
147.04408	3.3
150.03120	1.7
151.03908	2.9
153.01793	21.5
153.84366	1.4
156.85461	1.9
161.02324	7.1
165.02014	1.7
179.03397	3.4
183.04254	1.4
184.07332	37.1
185.07726	2.0
187.03940	2.7
199.03862	1.7
201.05486	1.7
213.05418	3.0
215.03412	3.1
229.04880	6.8
245.04530	4.4
253.05023	1.5
257.04407	6.8
263.05420	2.8
271.02368	5.7
271.22281	2.0
275.07086	1.5
275.49216	1.8
285.03934	3.4
287.05493	2.7
289.03363	20.6
309.04074	2.1
347.05649	2.8
373.06964	2.8
401.06787	1.7
405.06030	22.2
497.08618	2.3
525.08441	2.7
553.07361	2.7
571.08630	100.0
572.09076	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51905	13.2
53.00513	12.9
58.94589	14.4
67.05486	20.0
77.00930	17.9
79.20860	17.2
80.68359	13.2
89.02462	16.3
91.71589	17.3
133.03496	25.9
145.26353	17.2
184.04588	38.3
244.11853	24.1
265.44016	23.9
293.19470	83.6
311.20551	23.3
316.21329	100.0
334.22299	35.5
336.92447	21.3
357.23944	53.5
376.23395	21.5
415.52490	20.4
455.24731	24.3
511.27701	52.7
533.26764	19.8
544.07062	19.5
595.07574	20.0
598.63263	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93793	14.3
63.85759	12.1
102.50666	14.0
112.64188	16.9
113.87234	14.3
127.98334	16.5
154.94469	16.3
222.89369	15.1
250.30745	16.3
283.63474	16.2
415.30032	20.3
571.30737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21696	4.0
67.40500	4.6
68.49772	4.0
73.70532	4.8
113.00546	5.6
113.86820	6.1
142.79163	5.0
154.10451	4.8
168.62990	5.6
169.19266	4.7
421.56042	5.9
517.47198	5.8
571.30768	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91637	6.2
75.14428	6.0
124.91837	6.9
140.45403	7.7
187.10161	7.6
200.03430	6.3
238.38878	7.4
424.70920	9.1
487.94913	7.4
543.93738	7.5
571.30908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02566	7.3
55.01867	10.7
58.23683	7.5
59.03830	7.1
67.05489	20.5
69.03422	54.6
70.06588	21.0
70.28426	7.8
71.04994	11.0
81.03409	28.1
83.56865	9.0
85.02894	100.0
86.09683	11.3
86.30952	8.2
87.00824	28.0
93.07040	9.7
94.25712	8.4
96.23566	7.8
97.02878	44.7
105.01851	67.3
109.02898	29.0
109.10159	37.2
127.03905	54.5
145.04950	14.3
169.21536	10.0
321.13281	15.3
339.14590	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86314	1.7
53.03938	4.5
55.01876	6.0
55.05511	4.4
57.03441	2.9
59.04989	2.3
61.02924	4.4
67.05493	45.9
67.05827	3.3
69.03421	45.5
69.03780	3.1
69.07076	2.4
70.06589	5.6
70.52113	1.9
71.05003	10.8
73.02923	7.5
79.05484	2.1
81.03410	25.8
81.07059	5.5
83.04990	3.0
83.08601	2.5
85.02895	100.0
85.06558	6.8
86.09724	3.0
87.00808	25.8
91.05490	4.6
93.07065	4.1
96.00162	1.9
97.02885	39.2
99.04452	14.3
104.03652	2.2
105.01856	67.8
105.07092	2.5
107.04963	2.2
107.08623	3.9
109.02873	23.9
109.10156	44.9
109.10870	3.3
121.10169	3.9
124.76195	2.2
127.03909	60.4
127.04763	4.0
127.11169	12.0
136.78969	2.3
145.04916	15.3
147.08124	2.7
149.09656	3.1
159.02937	6.9
175.69092	2.6
177.81995	2.4
213.03949	3.7
217.12468	2.8
231.04985	21.9
235.13438	6.1
249.06013	14.4
321.13388	6.9
339.14539	6.8
357.15427	4.2
389.77795	2.9
472.91504	3.0
540.02643	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02566	7.3
55.01867	10.7
58.23683	7.5
59.03830	7.1
67.05489	20.5
69.03422	54.6
70.06588	21.0
70.28426	7.8
71.04994	11.0
81.03409	28.1
83.56865	9.0
85.02894	100.0
86.09683	11.3
86.30952	8.2
87.00824	28.0
93.07040	9.7
94.25712	8.4
96.23566	7.8
97.02878	44.7
105.01851	67.3
109.02898	29.0
109.10159	37.2
127.03905	54.5
145.04950	14.3
169.21536	10.0
321.13281	15.3
339.14590	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13340	3.6
67.01854	9.4
68.99774	7.4
69.07073	5.4
81.07046	15.1
85.02889	11.7
93.07050	8.3
95.08580	13.9
105.01867	5.1
105.07030	16.1
107.08607	13.8
109.10155	6.1
118.74184	4.0
119.08589	6.2
121.10136	8.1
123.04373	5.5
123.11707	5.2
125.13319	7.1
129.27679	4.9
133.10159	4.5
135.11746	7.5
137.13280	8.2
145.10126	4.3
147.11810	3.9
150.23257	4.8
153.01833	36.8
161.13240	6.0
163.14694	4.0
171.02913	13.0
179.03413	7.1
201.16380	5.1
207.48743	4.6
209.90404	4.2
226.11247	4.0
252.12473	4.8
256.79825	5.0
271.24179	100.0
358.55313	5.2
392.02966	5.1
395.07529	6.2
421.09113	23.1
435.27847	4.5
572.09637	6.9
573.10431	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06618	1.2
60.08164	9.4
63.68769	1.3
67.05494	1.7
71.07365	5.6
73.13228	1.2
75.67701	1.3
75.73704	1.4
79.05453	1.4
79.26191	1.2
86.09177	2.3
86.09698	44.8
93.07053	1.3
98.98474	3.4
104.10768	2.0
104.29589	1.4
120.21986	1.6
124.99997	24.4
131.08563	1.5
139.83885	1.4
146.08766	1.7
166.02640	1.6
175.92697	1.7
184.07330	100.0
186.49611	1.7
241.39545	1.4
271.61627	1.7
277.35571	1.5
292.19223	1.5
341.48431	1.8
566.34424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18855	12.7
53.33632	12.8
55.05492	13.0
55.08843	11.4
56.53390	11.9
57.03419	26.0
57.07063	53.3
58.32202	12.3
60.33337	10.4
67.05486	38.7
69.84753	11.3
71.08616	37.2
80.59942	12.5
81.07054	26.3
83.08593	34.4
85.10158	20.4
86.86500	12.7
89.06036	25.6
91.05463	25.7
93.07045	18.9
95.08607	36.4
99.00787	21.5
105.07072	16.2
109.10175	19.0
123.13017	11.6
133.10136	28.9
226.53783	15.9
299.14691	84.0
307.80042	15.5
313.18405	18.3
313.27304	100.0
395.31006	15.8
537.37720	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1027
Annotation	Hypnogenol B1
Peak:m/z	Relative Intensity
51.42950	4.6
51.49641	4.9
56.59922	4.7
59.80085	4.8
67.01855	16.9
69.26542	5.6
71.12378	5.3
73.53092	5.3
96.36861	5.9
127.30548	6.5
136.28752	6.2
137.02356	21.1
153.01808	49.0
167.75476	6.7
171.02879	35.1
187.57918	6.4
220.84138	7.6
275.62961	7.5
287.05365	12.3
354.23074	8.3
421.09128	49.2
477.24747	6.5
573.10260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1027
Annotation	dimeric 9-hydroxyrubrofusarin-fuscofusarin
Peak:m/z	Relative Intensity
58.28355	1.9
66.80806	1.9
67.92439	2.5
69.24297	2.2
73.86490	2.5
73.87788	2.0
75.62840	2.4
89.03910	4.9
93.87223	2.4
107.04947	2.6
117.03395	4.0
123.04353	2.6
131.11850	2.6
135.04393	8.5
145.02812	4.1
146.20485	2.7
147.04434	3.8
153.01802	27.9
153.28694	2.7
163.03868	27.8
175.03850	3.7
176.26204	2.8
178.41304	2.6
215.44995	2.7
225.05603	3.1
237.05463	3.6
243.02791	3.7
243.06441	6.0
253.05042	4.2
265.04874	3.4
267.06506	3.5
271.02402	16.3
271.05960	7.9
281.04465	4.6
285.03842	3.3
299.05453	24.1
309.03888	10.6
323.05646	4.4
323.96744	2.9
327.04779	5.7
335.01117	3.3
349.03317	3.0
351.04984	6.7
351.09167	3.7
377.02765	4.8
382.24637	3.2
395.03867	4.5
437.04993	100.0
573.10028	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75393	0.8
64.30792	1.1
67.01851	1.5
68.99776	2.1
89.03909	1.8
91.71343	5.6
104.20081	1.0
111.00800	1.1
113.88392	1.0
117.03378	1.5
135.04390	1.9
147.04404	3.7
153.01820	19.1
159.04460	1.7
163.03897	5.6
171.04393	1.8
173.02313	1.8
173.25745	1.2
175.03920	2.1
177.43776	1.3
187.03894	2.1
201.05476	1.6
203.03436	2.4
215.03386	3.3
215.07063	2.0
229.04907	2.0
237.05643	1.6
243.06424	8.9
247.39323	1.2
253.05005	4.9
257.04504	1.7
265.04871	1.2
271.02448	9.9
271.05936	9.7
280.98337	1.3
281.04568	4.1
289.03656	1.5
295.05896	1.5
297.03970	3.2
299.05447	21.4
309.03918	6.8
321.03754	1.5
323.05469	4.4
325.03342	1.9
327.05017	3.7
349.03238	1.6
351.04999	8.8
353.02841	3.3
369.06128	1.4
377.03101	3.5
379.04132	1.3
395.03946	4.7
419.03973	1.6
437.04993	100.0
438.05136	3.0
445.86661	1.3
454.07376	1.2
573.09839	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1027
Annotation	2'',3''-Dihydrophilonotisflavone
Peak:m/z	Relative Intensity
52.79347	4.9
69.69873	5.4
75.12576	4.9
84.04431	5.9
90.06170	5.5
95.02720	6.2
132.82245	6.5
135.04451	14.2
145.02808	6.8
147.04309	7.6
153.01868	35.5
163.03917	35.9
186.05521	6.7
196.14172	7.6
243.06441	9.9
253.04980	12.1
271.02359	17.1
271.05588	6.9
299.05444	37.2
309.03833	14.0
351.04883	10.5
437.05048	100.0
573.10443	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1029
Annotation	Hegoflavone B
Peak:m/z	Relative Intensity
53.18386	3.6
67.01842	15.1
67.14835	4.1
67.69772	4.9
68.99777	6.5
69.03429	4.6
78.70838	4.1
79.05506	5.1
79.18752	4.2
81.03879	4.2
81.10254	3.6
82.45145	4.0
82.59750	3.9
103.93105	3.9
113.49200	4.2
123.04455	16.5
137.02364	16.7
151.03922	8.8
153.01820	75.0
156.36960	5.2
171.02841	18.1
179.03369	25.0
182.64360	4.8
199.03845	6.4
202.82697	5.5
241.05006	6.2
266.54361	5.8
286.04739	8.9
287.05545	21.7
299.05545	18.7
395.07669	35.3
403.08276	6.6
405.05875	7.6
421.09082	91.1
429.06241	25.7
437.05481	6.1
447.07059	28.1
566.64996	5.9
573.10211	100.0
588.49475	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1028
Annotation	Hegoflavone B
Peak:m/z	Relative Intensity
51.91769	7.0
67.01851	22.6
68.99786	12.1
69.03438	9.0
69.07043	7.9
70.06572	13.4
81.07030	14.9
85.02910	11.7
95.08569	9.1
108.32639	8.7
123.04405	21.9
135.04446	12.9
137.13284	10.4
153.01825	100.0
171.02901	34.9
179.03438	25.4
225.56816	9.3
243.64037	9.2
249.08774	8.0
271.24234	31.7
272.24826	20.0
355.21597	11.1
371.88501	9.1
395.07498	24.9
409.37015	10.6
421.09247	59.2
429.05292	14.2
447.06985	19.4
573.10132	84.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1028
Annotation	Hypnogenol B1
Peak:m/z	Relative Intensity
51.58209	5.4
52.68242	5.6
54.61268	5.4
57.04660	5.0
62.90128	6.1
67.01868	34.1
68.99794	12.7
71.36304	5.8
79.26233	7.4
82.81293	6.3
92.39880	7.4
96.96509	6.2
105.07025	7.9
108.63352	5.8
123.04431	22.9
127.75359	7.0
151.03934	8.9
153.01822	98.8
155.47600	6.8
171.02910	43.5
179.03413	35.7
245.04425	14.5
266.02127	8.9
328.39893	8.6
395.07626	25.9
421.09210	63.7
429.06158	11.8
437.05301	9.7
447.06897	14.2
467.81680	8.1
530.04749	7.5
573.02258	12.0
573.10254	100.0
574.10010	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	3.7
60.08157	75.4
69.07054	16.1
74.02431	5.0
86.09701	28.6
89.75270	1.0
97.06535	1.3
101.84566	1.1
107.88017	1.1
116.29241	1.1
122.87797	1.3
130.08665	5.3
132.10197	11.2
160.28206	1.2
182.15413	1.8
189.24957	1.2
200.16487	2.0
204.02867	1.2
204.04639	1.8
287.23264	100.0
288.23657	2.1
516.12549	1.3
539.79840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	24.6
57.07077	61.0
57.75255	16.4
61.99509	15.3
64.09050	15.1
66.91431	18.1
67.05493	100.0
69.07070	39.8
70.56863	18.9
71.08639	45.0
79.05499	53.9
81.07080	88.8
84.21413	18.2
85.10187	28.1
91.05501	23.4
93.07069	81.1
95.08659	68.8
107.08627	56.2
109.10195	39.2
144.94675	22.9
148.05328	21.4
189.97050	19.4
197.52733	18.5
229.08583	21.0
273.11307	20.7
304.64502	22.0
313.27390	37.1
317.24878	32.2
573.48883	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.3
55.05501	5.3
58.06604	2.3
60.08160	18.2
61.02913	4.4
69.03417	25.5
69.07059	100.0
70.06580	4.0
70.07379	3.0
71.04986	2.4
72.08159	4.4
73.02896	2.7
78.75453	2.5
81.03403	23.0
85.02898	72.6
86.09203	2.4
86.09698	11.6
87.00823	16.4
95.53472	2.5
97.02885	22.1
99.04467	9.2
105.01871	31.2
109.02879	35.1
111.11708	38.0
112.07693	2.5
127.03911	61.9
127.04805	5.1
129.12759	36.1
132.10228	2.6
134.71980	2.8
145.04970	8.3
147.13786	34.5
159.02847	5.7
170.15424	3.7
188.07162	3.1
213.03964	4.8
231.05000	24.8
237.14781	5.5
249.05988	3.6
252.50555	2.9
287.23279	32.4
288.23660	10.5
359.17136	9.4
377.17892	7.5
449.87250	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93680	8.0
55.05494	15.3
65.20929	7.3
68.99778	11.5
72.23135	7.4
78.45877	7.7
81.07053	10.1
82.54395	8.0
83.08609	16.3
95.08592	28.2
105.07040	17.2
107.04945	16.8
135.04425	16.6
147.04524	11.8
153.01811	47.9
154.02209	14.1
163.03925	51.2
164.04176	18.5
164.34727	9.4
169.17035	9.8
191.14372	16.8
200.78827	8.4
233.15410	25.8
254.86264	11.8
271.02325	14.2
272.06357	16.8
291.19516	100.0
299.05466	27.8
300.05692	22.1
323.05521	11.3
437.04782	47.0
438.05295	92.4
462.86942	13.1
527.96967	10.4
574.10541	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81962	54.9
63.78032	61.3
64.71874	68.0
65.00229	67.0
67.05503	75.7
69.26139	60.8
70.06030	68.5
70.10445	60.7
74.94270	62.4
90.80387	70.3
91.05450	93.6
92.09311	68.4
92.37373	65.9
94.46525	69.1
95.69118	73.7
105.07002	69.3
108.98245	72.8
119.08620	81.2
145.11462	73.0
266.55380	81.1
364.80884	100.0
513.77368	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41173	5.1
53.03928	9.6
53.73363	4.9
55.01861	16.6
55.05499	12.6
57.03426	25.3
57.07073	53.6
65.15714	7.0
67.05492	74.1
69.07053	16.5
71.04981	7.6
71.08615	26.7
79.05493	41.2
81.03394	11.9
81.07052	63.2
83.04996	39.0
83.08621	15.9
85.06544	7.5
85.10160	21.1
87.04465	16.6
88.13155	6.0
91.05486	28.3
92.93973	6.1
93.07027	53.3
95.04970	19.3
95.08595	39.8
97.06500	16.4
97.10202	7.4
97.99499	6.4
105.07025	11.9
107.04926	43.9
107.08596	25.8
109.06480	8.1
109.10133	16.4
111.04438	48.1
111.08097	9.4
116.17032	6.0
117.07011	20.2
119.08598	22.0
121.10141	58.4
130.00308	6.5
131.08571	18.9
134.65488	7.2
135.11707	44.8
145.06442	12.3
145.10110	51.6
147.08076	6.5
147.11644	8.4
153.12747	14.1
155.08537	14.2
163.11177	50.4
169.34541	6.2
173.09610	38.3
181.12213	20.5
191.10670	20.3
209.11633	7.3
227.12819	20.9
242.53365	7.2
255.59224	8.8
265.14389	68.7
280.64532	7.8
283.15414	100.0
301.16400	66.8
307.72678	7.1
307.85275	7.3
313.27328	93.3
521.38275	25.2
539.39496	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85254	25.6
57.07063	70.9
66.52362	25.0
67.05501	50.8
71.08614	60.4
79.05486	34.2
81.07054	52.8
83.04960	76.2
85.42290	29.9
87.04457	58.6
95.08633	27.8
109.10155	46.5
111.04476	61.0
122.79121	29.6
142.52065	33.0
181.12184	48.8
191.10756	47.8
227.12859	47.2
283.15158	64.9
301.16281	42.1
313.27319	100.0
320.75626	36.1
389.23203	41.2
539.39368	53.7
540.29541	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	12.9
68.99788	9.5
96.27583	4.9
97.02888	5.9
112.63874	4.5
123.04398	33.4
135.04395	9.0
138.21364	5.4
145.02869	7.4
145.58846	5.2
149.06018	8.4
151.03842	4.9
153.01813	100.0
163.03880	34.2
171.02910	15.9
175.74609	5.0
177.77238	5.3
179.03337	27.9
188.21381	5.0
191.06998	5.7
193.04919	32.0
201.24052	5.2
203.03409	11.5
204.89006	5.2
240.55086	6.3
257.50162	5.8
261.03937	20.3
287.05475	54.7
313.03448	23.3
397.09152	19.7
423.10928	12.6
439.06622	45.9
575.11823	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1186
Annotation	2,3,2'',3''-Tetrahydrodicranolomin
Peak:m/z	Relative Intensity
67.01850	7.6
68.99781	5.5
69.03392	3.9
89.81564	3.4
91.05428	3.5
114.21449	3.5
123.04414	20.3
135.04402	5.7
145.02850	4.3
147.04494	8.2
149.06036	9.7
151.03873	7.0
153.01828	100.0
163.03937	22.5
171.02919	16.2
171.04260	3.9
175.03870	6.5
179.03415	35.1
193.04945	29.3
203.03354	7.8
245.04413	8.4
261.03906	23.5
262.66171	3.7
271.02237	8.4
287.05502	38.2
313.03369	27.9
327.76041	4.5
361.52606	4.9
397.09244	15.2
417.40494	4.3
423.10788	14.5
439.06378	20.2
575.11621	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68766	2.5
59.91494	2.6
66.63029	3.1
68.46466	2.5
71.03922	2.6
99.22644	2.6
113.25584	2.7
136.94080	3.1
144.51018	3.3
160.71220	3.4
206.13647	3.1
234.01944	100.0
234.04189	5.6
430.10516	3.3
573.55750	3.5
577.05359	5.2
602.92413	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40178	3.2
55.05506	5.3
56.21185	3.3
67.05503	3.9
69.03391	7.2
69.07043	5.7
69.90674	3.1
70.06589	6.6
71.04987	25.3
78.26312	3.4
81.03406	10.4
81.07049	10.8
83.04971	5.2
85.02899	15.0
85.06530	9.8
89.36982	4.4
91.05494	5.8
93.07039	10.7
95.04965	9.8
95.08604	17.2
97.02883	6.1
97.06537	15.9
99.03815	3.6
99.04444	100.0
99.05048	7.5
101.06014	9.1
105.07024	17.0
107.08566	7.3
109.02850	4.5
109.06537	8.3
109.10160	5.1
118.41293	4.2
119.08604	24.0
121.10153	31.6
127.03952	7.0
133.10168	13.7
137.09602	6.6
145.10159	4.4
147.11679	35.9
153.09154	4.5
155.10675	58.0
157.10156	4.2
157.19902	4.4
159.11674	9.8
160.34523	4.2
163.11360	4.4
165.12711	5.5
171.11659	6.0
175.14789	21.6
183.11609	5.5
197.13383	5.0
199.14818	23.4
217.15851	7.6
239.18033	11.7
257.18893	18.3
275.19919	18.6
293.21133	5.9
376.67084	4.1
447.31314	4.8
463.80133	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37542	2.3
54.33550	2.7
60.08160	17.1
60.33673	2.8
65.67834	2.8
69.54611	3.1
71.07355	3.9
79.36557	2.9
81.07050	3.4
86.09697	58.6
95.54969	3.8
98.98441	4.2
104.10744	100.0
125.00025	21.6
128.25484	3.1
184.07343	78.4
184.08923	5.1
329.66907	4.7
356.53210	3.7
439.52832	4.5
460.30103	4.5
576.33008	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06800	7.9
57.07069	100.0
67.05498	4.2
67.06910	3.9
87.04455	16.4
89.06021	96.2
91.05482	6.3
91.71646	5.4
93.07050	8.7
103.67089	4.5
104.10748	9.5
107.08554	4.4
111.51147	4.7
119.04955	6.5
119.08568	7.8
121.06511	28.1
121.10126	4.0
130.08617	21.7
133.08588	62.9
147.08075	14.2
148.06773	4.7
150.06761	5.1
163.11174	4.6
165.09116	14.4
177.11214	17.6
177.12637	4.9
197.50975	4.6
209.11629	5.3
226.62959	4.3
233.18968	28.1
277.21591	26.7
277.24539	5.0
321.24368	12.1
393.39056	5.5
447.25671	9.6
559.38287	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13312	3.7
51.13610	3.7
70.06577	10.5
71.06000	5.2
77.26870	3.9
86.09694	4.3
100.22680	4.5
103.84804	4.1
111.80660	4.0
151.82915	4.7
164.10965	5.1
210.65654	4.5
243.04829	6.7
270.49194	6.1
287.03830	11.7
316.83600	5.1
326.45285	5.4
329.15710	13.7
409.92542	6.1
415.15948	6.6
533.21674	26.0
577.20898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32364	6.4
65.03922	10.5
67.05499	11.6
67.24385	6.9
67.70740	6.1
74.35720	6.6
76.31756	7.2
78.50616	7.1
81.07058	11.1
93.07032	17.9
95.08585	8.4
105.07031	10.8
107.08582	9.1
118.76736	9.3
119.08585	9.5
134.42778	7.5
149.02345	100.0
149.03419	15.8
193.04907	49.5
194.40782	7.9
288.78650	8.2
374.66727	13.2
416.00955	8.6
577.13660	17.5
577.27740	29.0
579.97632	9.4
587.91254	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	4.2
78.68997	3.0
81.07040	3.9
84.04485	5.3
105.07011	3.9
107.08569	4.3
117.50114	3.1
120.01295	3.6
122.02699	5.0
127.03086	4.0
142.03406	4.5
180.15295	4.2
300.12619	5.9
314.48401	4.3
369.14236	4.4
389.52896	3.6
412.21582	5.6
533.30554	4.8
558.35468	4.1
577.29639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81446	13.4
68.27658	19.9
116.11796	14.5
128.28091	16.8
146.81873	17.7
288.00168	18.7
315.15204	23.5
461.97089	19.1
577.29803	100.0
600.91412	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	18.6
59.20604	15.2
60.12363	18.7
67.05482	41.4
69.03412	62.9
71.04958	27.4
71.55824	17.4
74.50896	17.8
81.03403	24.4
81.07030	31.6
85.02892	43.3
91.05431	24.8
93.07028	81.6
95.04953	35.6
100.21713	21.3
105.07057	30.6
106.54285	21.8
107.08601	49.1
108.67663	23.9
109.10156	34.6
111.08081	100.0
119.08635	41.7
121.10161	56.9
137.09676	39.3
159.02975	24.9
159.56264	24.8
173.13245	19.9
190.89392	23.6
244.69075	21.7
247.29953	21.7
311.23651	34.5
352.85815	29.8
401.14337	25.6
549.10071	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.3
55.05485	9.7
57.03433	6.7
62.42889	6.9
67.05494	26.3
69.03418	62.6
70.79614	6.4
71.04974	26.6
79.05489	21.8
81.03415	24.0
81.07037	16.2
83.73302	7.7
85.02889	41.5
85.06552	17.2
88.15577	7.2
91.05468	16.2
93.07026	78.4
95.04941	15.3
95.08600	15.6
96.22775	7.6
97.02863	7.5
101.45142	7.7
103.45341	7.9
105.01859	11.6
105.07024	30.6
107.08587	15.8
109.02868	32.1
109.10161	37.9
111.08072	100.0
119.08586	31.2
121.10143	54.8
123.11703	9.8
127.03938	25.0
131.08591	12.2
133.10130	18.0
135.11768	12.0
137.09618	43.3
145.10115	14.2
157.10098	24.4
173.13255	21.7
183.11713	10.6
187.14917	12.7
189.12785	9.1
191.41592	7.9
196.41095	8.0
208.67172	8.6
211.14842	12.5
212.74794	8.1
213.16362	20.9
222.13992	9.8
229.15898	13.2
257.78906	9.1
284.11548	8.6
311.23642	65.6
366.15680	10.8
577.29956	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57401	13.4
63.15383	13.7
70.98197	18.2
81.09040	19.3
106.38595	13.9
117.07777	18.0
128.50444	16.1
228.04634	18.5
282.80814	17.6
295.63925	17.5
358.46155	21.6
461.69479	23.1
577.35150	100.0
588.72919	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58767	2.2
50.62699	2.1
56.69688	2.6
58.76427	2.4
60.08155	22.3
60.12312	2.3
61.79977	2.5
63.51205	2.4
71.07365	7.9
71.59723	2.8
83.04987	2.6
85.02740	3.2
86.09696	68.6
96.29486	2.9
101.93821	2.8
104.10741	100.0
124.99995	25.9
147.09105	2.8
184.07335	73.5
184.08916	4.5
336.52765	3.5
553.13171	4.0
560.33258	4.9
578.34381	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	22.1
59.88093	12.6
61.28538	11.3
62.78436	11.5
64.50840	11.8
70.71381	10.6
82.17171	11.2
83.08593	25.6
94.88703	11.6
100.11263	18.3
100.27854	12.2
105.07037	19.2
145.10133	19.9
155.50063	14.8
182.15405	16.8
264.13077	16.0
273.14554	19.1
313.17493	31.3
428.05792	17.9
535.24792	84.0
579.24188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34339	10.4
67.05484	15.7
67.85255	9.4
69.03411	17.7
71.04984	11.3
81.03405	15.2
81.07044	100.0
83.04971	18.9
85.02900	24.2
85.06528	11.4
91.05454	23.7
93.07042	38.3
95.04958	14.2
95.08598	16.0
105.07015	89.2
107.08600	11.1
109.06487	15.1
123.11711	33.4
124.46440	11.9
133.10139	22.8
151.07591	11.1
151.11194	24.9
194.63219	12.0
215.63396	13.0
267.68515	13.4
272.38748	14.4
275.71658	12.4
342.94955	13.8
352.61337	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34339	10.4
67.05484	15.7
67.85255	9.4
69.03411	17.7
71.04984	11.3
81.03405	15.2
81.07044	100.0
83.04971	18.9
85.02900	24.2
85.06528	11.4
91.05454	23.7
93.07042	38.3
95.04958	14.2
95.08598	16.0
105.07015	89.2
107.08600	11.1
109.06487	15.1
123.11711	33.4
124.46440	11.9
133.10139	22.8
151.07591	11.1
151.11194	24.9
194.63219	12.0
215.63396	13.0
267.68515	13.4
272.38748	14.4
275.71658	12.4
342.94955	13.8
352.61337	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20073	14.9
59.97157	21.7
67.05495	100.0
70.97498	16.8
73.38196	18.1
79.05493	19.8
81.07063	91.9
83.08591	22.9
91.05473	27.2
93.07046	46.8
95.08591	59.2
98.98458	46.4
102.35690	18.9
105.07043	29.1
107.08592	43.6
109.10143	22.3
109.34174	19.7
123.11738	21.1
133.10165	23.2
135.11722	27.1
153.41400	25.9
155.01027	40.8
166.96095	21.4
173.13290	22.1
230.29440	21.6
247.01936	21.6
253.29408	21.3
261.22110	66.0
262.82385	24.8
353.26950	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65843	21.7
61.07493	23.5
64.24128	21.9
67.05487	28.5
69.07047	24.5
73.85428	25.0
81.07060	65.9
158.52171	28.4
174.91374	31.4
194.13126	33.6
196.63181	38.4
197.15652	29.1
199.75275	27.7
204.57321	26.7
216.77846	29.9
333.68811	37.0
333.73233	35.1
353.26685	71.6
483.66388	35.5
520.15149	39.0
579.28796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03430	12.8
55.84990	13.5
62.20924	14.0
72.31608	16.6
96.26127	17.7
137.32272	15.0
146.04936	16.3
170.56200	16.7
336.54471	18.5
506.21014	20.3
579.31543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58098	6.1
58.11563	6.5
62.00539	5.5
85.89117	5.2
91.05490	7.8
133.54523	6.0
137.30142	6.3
143.36525	7.0
149.39522	6.4
304.33902	10.1
324.40918	7.2
331.10016	9.7
355.78799	8.1
579.31360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
63.17229	9.9
63.99772	8.5
66.68031	8.6
81.07069	10.0
90.84894	9.6
98.54163	10.2
111.27451	11.0
112.33286	9.9
115.85629	9.5
116.61590	9.4
217.48141	11.8
223.49387	10.9
232.55887	11.6
387.16232	12.4
539.27179	12.6
572.08380	12.2
579.31061	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11643	8.5
57.35317	7.6
60.99247	10.7
72.54556	9.4
90.91132	10.6
102.77795	9.0
108.06283	10.5
139.92410	11.1
155.59814	11.3
185.35266	12.8
192.42632	11.8
313.28336	12.2
321.52643	13.1
342.05811	11.5
348.26331	12.0
465.46741	13.5
579.38635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	15.3
57.07077	6.0
66.69939	4.9
67.05520	20.4
69.07073	23.8
69.93410	5.2
79.05493	9.3
81.07072	25.3
83.08620	28.1
91.18766	5.9
93.07079	24.1
95.08638	12.0
96.08175	8.9
97.10227	8.3
98.06130	5.9
107.08669	17.9
108.32827	5.5
109.10158	6.4
111.08144	10.4
121.10168	11.3
149.13319	23.5
159.11684	8.3
166.15921	13.8
169.00540	6.8
171.13846	9.6
174.69234	6.2
210.18781	6.9
231.15996	10.2
238.17952	58.5
256.19168	23.9
269.17371	30.3
287.18567	59.5
308.51370	5.8
312.21649	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	26.1
67.05490	34.9
68.61055	8.4
69.03425	11.6
69.07059	19.3
69.31522	10.6
71.04985	9.1
79.05495	17.5
80.39248	9.3
81.03401	11.0
81.07067	52.2
83.04967	19.0
83.08630	11.2
86.04014	9.6
90.91822	10.3
91.05466	11.7
93.07010	17.4
95.04958	17.1
95.08584	11.3
97.10175	14.3
105.07007	12.6
105.74247	9.7
107.08599	22.3
119.08621	19.3
121.06424	12.7
123.08053	22.5
125.09664	22.2
135.11723	10.8
136.00111	9.2
141.22932	9.6
184.42458	10.5
189.11229	20.2
192.23312	11.9
227.12799	12.0
271.58569	11.4
273.18576	14.9
291.19510	48.4
365.23416	48.8
383.24255	100.0
563.52460	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	17.6
55.05490	46.3
64.43983	8.9
67.05491	74.4
69.07038	29.5
77.56734	9.6
79.05458	17.8
81.03400	32.4
81.07058	100.0
83.04975	22.8
83.08607	23.6
85.02929	25.1
91.05475	25.7
93.07019	35.6
95.04975	24.7
95.08595	27.2
97.02891	12.1
97.06505	22.1
97.10162	32.1
105.07025	36.4
107.04942	24.8
107.08567	31.2
109.10125	13.7
115.34644	12.1
117.07025	16.3
119.08575	36.7
121.10177	16.1
123.08041	29.7
123.11685	11.7
125.09631	36.9
131.08537	10.1
133.10083	13.2
137.09557	10.3
145.10107	20.1
147.08066	14.1
157.10054	13.2
163.11166	33.3
167.78992	10.2
172.00110	11.1
179.07210	11.1
189.11261	24.0
223.13278	13.2
237.63643	11.6
273.18506	36.3
291.19559	96.6
309.20700	13.0
347.22131	14.3
365.23163	95.8
383.24042	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08141	15.8
64.47185	5.3
66.00928	5.4
71.07370	6.9
86.09696	49.9
88.66170	6.0
104.10737	100.0
125.00006	11.9
136.37819	6.1
184.07346	66.8
200.06160	6.4
237.22984	6.6
281.56683	7.6
320.46942	8.2
343.02115	7.2
355.35956	6.9
358.59833	6.9
580.35883	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.361
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	11.5
62.11068	1.8
67.93313	2.2
71.07365	5.4
81.07059	3.4
86.09698	47.8
91.71085	2.9
98.98420	4.8
124.99997	21.6
184.07327	100.0
184.08937	5.2
448.89603	3.9
580.35785	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2573
Annotation	Hydrangenoside E
Peak:m/z	Relative Intensity
51.00970	3.7
53.26405	4.0
70.42802	3.7
74.57681	4.3
77.61395	4.4
86.09688	4.1
87.14281	4.3
95.08632	4.3
121.10118	6.4
131.40768	4.7
137.05927	4.4
233.51393	4.6
247.71693	4.5
248.04364	4.3
289.05212	33.2
315.18921	5.0
477.24054	7.1
519.25317	16.2
537.26929	8.7
541.66284	6.2
545.23395	36.6
563.24512	100.0
581.25690	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03958	8.3
67.05475	26.8
68.41084	9.3
69.03423	15.8
69.07057	17.2
69.13638	9.4
79.05505	17.3
80.12641	10.3
81.03403	10.9
85.02905	13.4
85.06518	22.1
91.05470	12.0
93.07037	44.2
95.08610	12.5
96.97134	9.7
97.06525	13.4
107.07914	13.7
107.08600	100.0
109.02874	17.0
109.10145	48.8
117.76009	10.2
127.03879	11.1
135.11676	34.5
140.51314	11.8
153.12785	14.5
184.07288	12.4
279.12122	11.4
296.39493	13.1
315.23123	17.7
351.70239	13.1
358.10297	13.4
404.37039	13.6
553.80554	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.2
55.44106	2.6
58.66191	2.7
78.08694	2.1
86.09731	3.0
93.94572	2.7
103.20934	2.5
104.10744	6.9
111.04210	3.9
148.75142	2.5
151.06734	2.5
155.06799	3.8
171.06190	3.8
184.07339	4.5
243.11963	3.8
283.58441	3.0
424.96426	3.2
581.36591	100.0
582.36975	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76623	20.0
55.05506	31.6
65.57966	24.7
67.05511	38.1
69.07082	48.9
73.20238	24.2
79.05521	29.3
81.07085	84.4
83.50190	31.1
91.05498	70.6
93.07060	79.1
95.08633	70.2
96.01410	26.3
105.07078	100.0
107.08582	57.5
115.58082	28.3
117.07041	35.9
117.55902	30.1
119.08601	72.1
121.10178	80.0
123.11710	32.0
131.08545	39.2
133.10165	57.7
143.08583	37.5
145.10237	60.6
157.10136	50.8
161.21733	33.4
167.10789	52.3
173.13412	42.4
187.14835	51.7
221.15341	43.8
233.15472	34.4
581.40399	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	9.2
69.41935	1.4
71.07349	4.2
75.56332	1.5
75.62029	1.3
86.09697	44.6
91.71015	3.6
96.77724	1.4
98.04374	1.4
98.98470	2.8
104.10751	4.7
125.00005	20.5
127.72579	1.5
155.25775	1.6
156.75316	1.7
184.07335	100.0
383.28015	1.8
407.86691	1.9
506.56223	1.8
539.22534	2.0
582.37799	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89955	6.2
63.27013	6.8
70.06573	20.2
77.48569	8.0
86.09678	19.8
105.67704	9.5
145.80525	8.9
161.02361	22.3
175.03940	10.4
184.07321	15.5
189.68671	9.2
245.04533	29.7
289.03445	15.8
373.07117	10.3
389.77054	9.5
429.06021	19.7
447.07031	100.0
465.08026	17.9
467.98306	9.5
583.10223	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44721	13.6
70.06584	45.9
76.76733	15.5
82.23370	16.9
83.58039	19.6
85.02914	23.0
119.08480	18.6
131.60448	17.1
144.93735	18.1
149.09575	21.0
159.89154	16.5
187.03891	19.8
193.04915	26.2
221.30544	20.0
307.69534	20.8
313.04453	23.8
405.05807	28.2
447.06833	100.0
468.78098	22.1
583.10870	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	33.5
56.80834	25.0
56.93317	22.4
62.74130	24.5
63.31457	23.3
65.27904	27.1
67.05485	76.5
69.07052	27.2
71.00411	25.6
79.05462	29.3
81.07045	45.2
91.05476	31.8
93.07024	96.4
95.04942	30.8
95.08591	45.0
105.07034	98.5
107.08587	53.5
109.06480	32.0
119.08591	100.0
121.10123	75.2
129.73648	30.7
131.08591	43.7
133.10182	81.5
143.08568	43.6
145.10146	66.8
157.10150	60.1
169.10165	41.6
181.30513	36.3
207.11617	30.6
209.13347	42.8
221.15417	67.0
259.42996	31.9
583.41437	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12541	3.9
55.05513	12.8
57.07060	14.1
59.04988	6.5
67.05498	32.8
67.23801	4.6
69.03411	8.4
69.07072	25.6
71.08617	8.0
79.05494	26.3
80.53147	5.3
81.07052	46.3
83.04979	9.0
83.08626	12.6
85.06526	7.1
91.05473	72.2
91.71737	6.2
93.07030	68.7
95.04958	16.2
95.08587	36.6
105.07027	84.2
107.08576	57.1
109.06541	10.0
109.10174	29.8
111.08018	5.5
115.05434	6.3
117.07046	19.2
119.08572	100.0
121.06477	6.5
121.10158	50.1
123.08064	17.2
123.11706	7.7
128.06218	17.8
129.07025	13.8
130.07776	9.1
131.08551	35.8
133.10135	41.0
135.08127	5.9
135.11722	20.0
137.09598	8.6
141.06982	8.2
142.07774	30.2
143.08537	47.4
144.09300	7.4
145.10144	51.4
147.08060	20.2
147.11679	15.1
149.09575	6.2
149.13243	5.6
151.07581	13.4
153.07001	6.0
155.08653	16.9
156.09367	21.0
157.10132	48.6
158.10886	12.4
159.11684	21.9
165.07001	7.7
165.09132	25.6
167.08566	14.0
167.10716	10.0
169.10118	24.3
171.11710	27.6
173.13249	22.6
175.14861	11.6
179.08578	10.0
181.10161	14.9
181.12389	5.8
182.10915	10.8
183.11736	35.0
184.12486	7.3
185.13286	15.3
187.14774	11.5
191.14378	12.3
193.10179	13.2
195.11708	21.3
197.13306	20.4
199.14876	16.8
203.14333	17.2
205.10045	7.8
207.11726	18.5
209.13266	22.8
211.14850	12.2
219.11674	10.0
221.13342	11.1
221.15387	36.1
223.14761	9.4
225.16310	7.6
231.11812	7.6
233.13171	8.2
235.14890	11.3
235.72820	6.5
237.16385	7.2
245.13350	7.7
247.14844	10.6
259.14966	7.3
261.16293	8.3
263.18018	10.9
265.19547	8.4
269.18692	6.4
275.18015	10.1
283.20517	6.8
284.43896	6.1
307.97327	7.2
349.25354	9.3
375.26242	7.3
443.13293	6.5
460.21347	6.7
565.40271	7.1
583.41235	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.1
55.05505	17.3
57.07028	5.6
59.05011	6.1
67.05486	33.3
68.58457	6.7
69.03416	10.3
69.07049	31.2
79.05479	26.0
81.07052	43.8
83.04967	9.1
83.08605	10.9
91.05476	50.4
93.07042	72.4
95.04960	20.4
95.08606	45.7
103.05485	8.4
105.07024	100.0
107.08614	48.6
109.06536	15.1
109.10148	28.7
115.05445	8.0
117.06995	19.5
119.08572	95.3
121.10146	75.4
123.08061	12.1
128.06221	12.7
129.07022	14.7
131.08563	43.5
133.10135	60.4
135.11722	7.4
137.09656	17.8
141.06985	9.2
142.07802	25.0
143.08562	37.8
144.09258	8.7
145.10129	65.2
147.08107	11.2
147.11681	11.8
149.09641	11.3
151.07573	17.6
155.08543	22.4
156.09351	19.1
156.48360	7.5
157.10135	61.7
158.10896	7.9
159.11697	28.5
161.09570	9.9
165.07027	9.1
165.09117	14.7
167.08592	7.7
167.10641	24.5
168.09373	12.6
169.10107	25.9
171.11694	34.5
173.13223	34.7
179.08510	16.1
181.10138	15.3
182.10927	8.8
183.11667	32.1
185.13268	19.1
187.14821	10.2
193.10133	15.2
194.10884	9.7
195.11697	26.9
196.12506	10.2
197.13237	23.9
199.14845	24.7
206.10826	9.7
207.11697	22.3
209.13263	32.7
211.14850	21.0
215.14409	7.4
220.12492	7.7
221.13258	24.4
221.15460	25.8
222.14091	7.2
223.14815	14.7
233.13269	15.5
235.14749	14.8
237.16457	8.2
245.13257	11.3
247.14879	11.5
260.15237	7.7
263.41437	7.2
275.17807	7.6
283.20395	16.7
353.36420	9.9
414.89481	7.9
490.96722	7.1
565.40723	10.0
583.41461	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45726	7.8
55.05496	20.3
57.07061	11.7
58.58749	8.9
65.45295	9.5
67.05492	25.5
69.07054	33.6
72.65075	10.0
79.05473	29.9
81.07042	46.1
86.08793	10.2
89.06017	37.4
91.05475	73.2
93.07048	54.2
95.04973	15.0
95.08604	32.7
99.08164	9.6
105.07036	100.0
105.37930	9.3
107.07947	10.9
107.08562	64.6
109.10133	13.1
117.07030	18.7
119.08578	95.9
121.10101	58.2
123.08052	16.2
129.06987	22.1
131.08583	32.5
133.08586	31.8
133.10130	48.9
135.11661	13.3
141.07085	14.8
142.07796	34.6
143.08578	60.4
145.10168	51.3
147.08084	15.6
147.11693	17.8
155.08592	17.5
156.09348	14.1
157.10097	72.7
159.11682	22.0
167.08556	15.8
167.10684	16.5
169.10124	35.1
171.11687	26.0
173.13245	16.6
177.11304	13.0
179.08594	25.8
181.10124	22.9
183.11786	27.9
193.10083	15.1
194.10960	13.3
195.11635	20.0
197.13136	16.4
199.14861	18.0
205.10147	11.0
207.11719	20.6
209.13261	27.4
218.57460	12.2
221.13318	14.1
221.15291	19.5
223.14935	11.8
247.14798	15.1
288.56366	15.0
417.75366	14.0
583.41718	22.7
594.35413	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46280	15.6
55.05479	19.5
57.07042	17.7
59.04949	13.0
60.91349	14.9
62.08933	14.0
67.05478	48.0
69.07057	20.4
76.25217	16.0
79.05463	46.2
79.90903	16.8
81.07053	66.3
83.08598	18.1
83.37454	14.4
91.05470	68.3
91.71653	31.5
93.07037	78.3
95.08601	70.7
105.07024	84.7
107.08586	60.6
107.21500	15.1
109.10186	29.2
119.08577	100.0
121.10140	52.5
128.06256	17.7
129.06998	22.9
129.88181	21.2
131.08569	57.0
133.10152	55.5
142.07805	33.0
143.08542	46.8
145.10130	66.2
147.08112	16.2
147.09590	17.9
147.11612	21.3
155.08600	25.2
156.09401	26.3
157.10136	75.9
159.11673	25.0
165.09120	38.1
167.08553	27.7
169.10130	39.7
171.11702	49.7
173.13287	27.3
183.11734	30.0
185.13423	21.6
195.11699	34.4
197.13255	21.8
207.11739	20.9
209.13203	36.9
211.14902	23.4
217.83632	17.2
221.13246	34.1
221.15309	34.4
283.20447	19.6
307.35593	17.5
346.88776	17.9
583.41510	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26775	3.0
55.05505	17.6
57.07062	13.0
59.04986	2.6
65.03919	4.5
66.54723	2.7
67.05496	32.8
67.59295	3.0
68.21030	3.1
69.03414	11.2
69.07066	21.0
75.08572	3.4
79.05486	19.1
81.07053	45.6
83.04964	5.9
83.08604	8.8
85.06529	9.2
87.48350	3.2
91.05469	52.3
91.70999	8.3
93.07036	62.1
95.04957	21.9
95.08592	39.8
97.06531	8.2
105.07025	96.3
107.08587	49.7
109.06519	16.9
109.10138	25.0
111.08082	4.7
112.28048	3.7
115.05460	8.4
117.07018	22.3
119.08578	100.0
121.06561	5.0
121.10126	45.6
123.08053	16.0
123.11684	4.1
128.06238	10.1
129.07004	18.5
130.07797	7.5
131.08563	35.4
133.10117	45.7
135.08096	11.5
135.11691	11.8
137.09616	11.4
139.07594	5.1
141.06992	13.9
142.07784	26.8
143.08563	54.4
144.09384	6.6
145.06494	3.9
145.10123	54.3
147.08054	11.8
147.11699	13.6
149.09592	8.3
151.07555	14.6
153.07025	4.9
154.07730	5.4
155.08543	24.5
156.09375	17.9
157.10118	59.3
158.10869	6.4
159.11696	26.5
161.09621	4.9
161.13263	5.6
165.07005	11.3
165.09114	29.9
166.07835	4.6
167.08568	14.5
167.10696	7.9
168.09361	9.8
169.10136	29.0
170.10931	10.9
171.11729	28.4
173.13240	24.1
175.14796	8.7
179.08568	12.3
180.09393	7.1
181.10194	17.6
181.12247	7.3
182.10928	9.0
183.11702	27.8
184.12517	4.9
185.13298	20.9
187.14880	5.5
189.12839	4.9
191.14384	7.8
192.09309	9.5
193.10150	18.7
194.10927	15.5
195.11765	23.6
196.12399	6.7
197.13281	24.1
199.14899	15.4
203.14319	10.0
205.10223	4.7
206.10962	8.3
207.11662	13.5
208.12479	7.7
209.11603	3.6
209.13138	18.5
210.13972	5.1
211.14830	12.2
217.15935	10.3
218.10849	5.1
219.11717	9.2
220.12462	5.4
221.13298	10.1
221.15324	47.1
222.96207	4.1
223.14818	12.9
225.16484	8.8
231.11679	7.0
232.12321	6.4
233.13263	8.3
233.15393	6.5
235.14963	7.7
237.16411	5.3
247.14845	8.1
249.16447	10.1
251.18039	6.4
256.74054	4.2
257.19055	6.8
259.14938	5.9
260.15631	5.4
261.16428	9.0
275.18021	13.7
283.20605	13.1
289.19531	5.9
295.20679	7.3
301.19489	5.1
331.24503	4.9
553.40930	4.9
565.39929	10.7
583.41400	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25162	20.5
67.05500	53.9
76.72985	22.8
81.07060	52.0
91.05500	72.6
91.83165	25.7
93.07059	96.0
95.08633	51.8
105.07063	91.6
107.08635	98.6
109.06574	29.3
109.10242	29.0
113.07317	22.5
117.06166	24.2
117.06997	27.0
119.08619	100.0
121.10152	48.1
131.08563	51.3
133.10214	45.9
135.46046	27.2
143.08615	56.0
145.10150	52.3
157.10220	51.1
183.11757	41.9
193.10167	32.9
209.13260	32.1
217.16153	30.0
546.39099	29.2
589.95959	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39014	15.8
55.05497	32.2
60.75787	15.6
67.05497	49.0
69.07056	30.4
79.05496	23.3
81.07050	57.1
83.08579	16.5
91.05471	31.6
91.71626	38.3
93.07023	29.8
95.08602	62.1
100.33559	18.1
105.46856	17.4
107.08630	27.3
112.77934	18.1
117.06983	20.8
119.08587	34.9
121.10166	23.9
140.60419	18.9
143.08583	45.8
145.10136	21.9
171.11681	31.0
176.89403	23.5
183.11682	39.5
239.05185	23.8
258.82419	21.8
293.44174	24.7
311.19858	22.3
324.50528	24.6
450.82761	24.0
478.85571	24.6
565.40997	24.5
583.43359	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74122	6.4
59.94793	6.3
86.09682	18.0
88.80791	9.6
115.11443	8.0
124.99934	9.1
135.04404	10.3
147.04391	18.6
163.03824	41.4
175.03915	14.0
181.64748	9.0
184.07317	15.4
193.04961	100.0
203.03400	35.0
247.02101	8.8
296.89175	8.3
297.05099	8.9
313.03366	97.8
431.07349	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78014	6.2
54.75151	5.6
56.96558	86.8
56.96816	7.2
93.96223	8.0
97.99215	7.6
98.97575	89.0
98.98118	7.3
112.99183	22.0
113.22501	7.1
116.98632	39.0
119.56605	7.7
131.00201	36.2
134.99692	19.0
140.00174	58.8
149.01288	26.9
154.01715	36.7
158.01286	21.6
158.99738	43.8
161.01314	12.3
164.31506	7.9
164.35956	6.8
166.01811	8.0
167.02432	10.5
168.99202	7.4
172.02818	59.9
177.00764	32.0
181.02864	36.1
184.02910	11.9
195.04498	34.5
199.02776	12.9
200.02235	64.1
214.03867	10.5
219.01784	19.0
240.05531	15.0
248.56978	7.8
275.04556	17.6
289.14688	50.6
293.05585	26.7
307.15875	21.0
316.07013	70.9
330.17422	100.0
334.08136	21.2
349.17056	20.7
376.49228	8.0
525.23798	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07789	12.3
55.20206	12.2
56.46428	10.7
59.68518	11.6
64.59450	12.0
66.94846	12.1
81.07061	15.2
90.19649	13.3
103.50798	14.0
111.06193	17.8
132.52361	15.7
157.61093	13.6
180.79237	15.4
210.98676	14.4
230.24411	16.5
247.33286	16.0
251.71935	15.8
266.32001	18.8
286.90155	15.0
333.38147	16.6
543.48181	16.4
585.26501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
112.43231	25.5
138.19653	27.9
147.29747	25.4
191.12738	30.7
238.87106	33.6
263.27844	30.1
270.33691	26.8
464.40564	37.2
585.26959	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67376	8.2
76.77325	9.0
82.29350	8.4
91.71007	17.3
126.21481	10.5
126.48094	8.9
169.30153	10.4
175.88054	9.6
227.36987	11.3
247.22285	10.4
306.69604	11.9
338.08545	14.4
362.23160	11.3
445.88394	12.7
585.26672	100.0
596.77954	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94835	8.0
57.59074	6.3
59.31656	6.9
67.48764	6.5
99.92998	7.5
111.25341	6.4
112.02689	7.5
135.09973	8.4
136.33774	8.3
145.19603	7.6
148.31854	7.2
209.10677	12.7
231.40297	9.9
237.10333	9.9
239.11699	8.8
269.12997	8.8
297.12268	45.8
299.13953	31.2
321.57684	9.8
331.16605	11.5
344.17520	18.1
462.20200	17.8
544.14111	10.6
584.38647	10.2
585.27026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54530	11.7
59.47803	10.9
63.86914	11.2
63.99821	11.8
81.19287	12.0
100.74220	11.9
166.68883	14.5
291.05743	15.9
301.57950	14.1
406.45547	15.0
573.59052	16.0
585.28973	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10123	5.2
57.93631	6.5
58.62080	6.1
63.72134	4.9
84.76149	5.6
115.54078	6.3
130.11880	6.7
156.68642	7.0
213.81735	7.0
266.05402	7.3
331.09961	8.3
423.23386	7.3
585.28815	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14141	6.6
51.40222	5.7
52.10373	6.9
55.05492	30.1
57.03418	8.4
57.07062	18.0
66.37882	8.6
67.05489	91.7
69.07050	33.1
79.05460	44.8
80.20528	7.2
80.53047	8.3
81.07033	100.0
83.08614	19.3
86.66486	8.2
89.06016	18.1
91.03391	9.1
91.05448	45.6
91.70969	15.7
93.07028	89.8
95.08582	73.4
97.10139	8.6
105.07024	38.4
107.08595	58.0
109.10159	41.6
117.07007	19.9
117.09036	8.0
119.08589	44.7
121.10140	37.8
123.11687	20.6
129.06999	10.5
129.65712	10.7
131.08592	29.7
133.08562	11.7
133.10138	36.7
135.11696	33.9
135.66844	10.5
142.07687	8.6
143.08556	12.8
145.10106	32.1
147.11678	34.2
148.73766	8.6
149.13258	13.1
157.10144	9.9
159.11697	23.4
161.13255	19.8
169.10179	21.0
171.11699	9.4
173.13319	21.8
175.14876	11.7
185.13315	19.2
187.11316	12.2
187.14879	14.2
213.16457	9.8
215.17944	14.2
257.61542	9.6
297.93680	9.4
307.22897	14.0
567.44183	15.1
585.45050	93.3
592.58514	11.2
606.55969	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38726	7.4
53.32253	9.6
55.05492	22.7
57.03426	12.0
57.07063	13.3
59.40000	9.4
67.05499	100.0
69.07047	29.8
73.74441	11.3
73.99841	9.0
74.41676	9.2
79.05492	33.0
81.07043	82.6
81.93716	10.0
83.08613	12.5
84.12142	10.5
85.80576	9.3
89.06022	26.2
91.05478	53.8
93.07019	42.6
95.08591	45.2
95.67587	9.3
105.07005	46.8
107.08569	19.5
109.10149	13.4
117.06960	11.5
119.08573	36.9
121.10189	13.7
124.64039	10.4
131.08569	25.7
133.08633	15.7
133.10123	25.9
135.11714	11.5
145.10126	13.9
147.11655	18.5
151.49249	9.4
241.19531	13.6
257.41193	10.4
259.20602	26.8
309.24286	22.8
575.04602	13.7
585.45001	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.7
55.31301	7.0
57.29113	7.9
60.44183	8.7
67.05504	79.7
69.07043	20.9
71.08610	28.3
79.05478	41.3
79.26865	8.2
81.07055	100.0
83.08595	13.8
89.06011	15.4
89.72282	9.4
91.05450	24.0
91.71711	20.0
93.07031	44.7
95.04922	10.6
95.08586	41.3
99.08076	22.5
105.07051	22.0
107.08601	29.7
119.08602	12.3
121.10130	13.8
133.08633	21.7
133.10153	11.6
135.11659	28.1
149.13280	10.4
159.38029	11.7
161.13310	15.5
179.14313	68.9
185.76898	11.6
255.21893	12.7
277.21625	43.9
292.33475	10.9
358.95898	10.9
374.21298	11.4
409.42538	12.0
585.44983	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61387	2.1
69.07074	9.6
70.02964	2.1
70.06605	10.3
74.85339	2.2
84.08107	2.2
86.09180	5.6
86.09702	100.0
87.05601	4.7
87.11190	2.6
94.20882	2.3
103.31149	2.4
121.32410	2.2
124.07623	3.8
132.08073	2.5
133.06158	3.0
138.09181	5.1
141.10324	4.2
183.11354	6.9
200.13896	3.9
228.13385	23.7
341.21777	15.2
364.90897	2.7
426.67441	2.8
512.28894	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18514	8.3
63.59566	8.0
65.22891	7.8
66.23739	8.1
86.70486	9.0
108.08089	69.2
110.12778	9.5
136.07581	16.3
150.64522	9.3
223.55832	11.2
390.15048	11.5
404.16064	22.1
422.16876	21.7
432.15540	100.0
450.16635	57.0
569.23877	25.8
587.24567	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96341	6.7
56.96557	79.9
59.59033	5.9
62.26122	6.4
97.99184	12.9
98.81729	6.2
98.97575	74.0
112.99135	14.8
116.98616	46.1
131.00183	27.6
134.99632	18.1
140.00214	58.5
143.00240	9.9
149.01236	26.5
154.01772	32.2
158.01260	35.1
158.99626	41.2
161.01254	11.7
172.02751	45.5
172.34477	8.9
177.00763	31.1
181.02881	24.1
184.02843	12.9
190.03778	8.7
195.04445	30.8
199.02806	12.7
200.02264	68.7
212.02348	9.7
219.01799	11.9
226.03809	10.7
240.05554	19.5
275.04352	18.1
291.05270	10.2
291.16461	21.9
293.05475	24.2
309.17316	38.3
316.06870	65.8
332.18875	75.9
334.08139	9.2
350.20087	13.2
351.18375	47.0
373.21783	22.3
390.44693	9.8
527.25311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30101	19.0
63.33220	16.5
64.76110	17.8
67.91805	19.4
76.24307	19.8
78.38055	18.7
88.78535	18.8
95.94833	23.5
127.67603	23.5
186.01013	20.7
224.75409	19.7
318.68674	28.0
326.71249	22.6
544.99677	22.7
587.28418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.304
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
61.96232	4.5
63.32716	5.0
68.24383	4.4
70.27156	3.8
73.74704	5.6
83.81898	4.5
131.62643	4.8
133.72404	5.3
160.82617	5.9
456.66055	6.9
587.30334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
70.00470	8.7
73.72498	6.4
75.56933	6.3
81.95167	6.1
86.52341	7.3
90.24454	7.1
128.87680	7.1
132.78427	7.4
156.66783	6.8
200.61497	7.9
202.84406	7.7
255.83353	7.7
360.82312	8.4
433.67236	7.8
520.41437	9.2
584.01782	10.1
587.30420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3038
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
68.81665	3.2
88.18333	3.1
91.71661	4.8
116.12157	3.1
130.28065	3.2
157.77583	3.7
213.48601	3.1
219.23682	3.6
235.25604	3.2
308.28705	3.4
325.19785	3.8
350.43839	4.1
383.17560	3.5
552.58630	4.0
587.30273	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80095	13.7
55.05487	45.7
57.07070	31.3
61.40359	17.6
61.50486	17.3
62.64763	15.5
63.90375	15.7
67.05481	100.0
69.07074	29.8
75.95470	17.3
79.05483	29.7
81.07075	89.2
83.08641	28.6
91.05477	35.4
93.07075	62.7
95.08642	60.4
103.22478	18.9
105.07042	30.2
107.08622	40.3
109.10130	30.7
119.08570	26.0
121.10179	35.6
125.67758	23.2
172.65761	21.6
179.14323	29.0
196.75504	24.2
225.60760	22.2
301.48965	23.3
341.34470	21.4
351.52817	20.2
401.92657	22.4
407.46429	23.7
554.46436	23.5
587.46454	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.4
57.03433	6.4
57.07078	5.7
60.54448	3.5
67.05494	66.9
69.07058	32.9
71.04993	4.6
71.08640	5.4
79.05472	33.1
81.07047	69.2
81.07478	6.8
83.04980	4.8
83.08638	19.3
85.10222	4.5
87.64846	4.7
89.39084	4.0
91.05477	27.7
93.07037	42.9
95.04951	3.7
95.08598	36.1
97.06550	5.6
97.10177	8.5
105.07027	38.1
106.18948	4.1
107.08590	30.9
109.10184	19.0
117.07007	11.0
119.08575	34.7
121.10184	19.9
123.11724	6.7
131.08627	21.1
133.10127	22.6
135.11705	10.4
137.13289	9.2
143.08565	9.6
145.10193	16.2
147.11700	8.8
149.13376	8.1
157.10078	6.2
159.11656	7.9
161.13307	10.7
171.11728	8.5
173.13307	6.6
175.14842	7.2
177.16425	5.1
185.13350	5.3
187.14917	5.8
189.16611	5.6
190.11121	5.0
201.16489	8.7
204.53381	5.3
247.20667	5.9
255.21315	5.4
265.88986	4.8
302.06030	5.3
311.49509	5.2
397.34662	7.3
430.43356	5.8
495.41760	8.6
569.45679	6.5
587.46722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	37.6
57.07074	13.3
62.86697	7.3
63.29571	6.4
65.19481	5.7
67.05493	92.8
69.07044	43.9
70.88856	7.1
71.08624	10.1
79.05489	40.2
81.07043	98.9
83.08619	22.5
91.05469	34.5
91.71060	17.1
93.07036	66.8
95.04974	7.7
95.08586	71.7
97.10179	14.3
105.07043	55.1
107.08602	33.7
109.10152	21.5
117.06970	9.0
119.07826	8.0
119.08559	52.6
121.10113	23.8
123.08162	8.4
123.11723	8.4
131.08589	27.7
133.10100	14.1
135.11705	19.4
138.61890	7.4
145.10136	29.9
147.11671	14.6
149.13301	8.5
157.10112	8.9
159.11703	14.5
161.13240	11.6
171.11743	13.6
173.13240	13.7
175.14894	10.8
185.13347	9.4
200.75404	9.9
201.12904	10.5
215.17946	8.1
221.07619	8.1
282.98843	9.2
338.65948	9.0
457.61264	9.2
569.45416	19.1
587.46564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.2
55.05508	30.7
56.54528	4.8
57.03411	8.5
57.07059	12.4
57.16647	5.4
61.54815	5.7
67.05487	97.4
69.07054	41.3
72.18941	5.8
79.05473	41.0
81.07045	100.0
83.08601	23.5
83.38331	6.0
85.06529	8.3
89.81163	5.6
91.05470	43.2
93.07034	55.4
95.08598	85.4
97.10188	11.4
105.07036	44.4
107.08576	33.0
109.10152	37.7
117.06989	14.8
119.08601	41.8
121.10164	37.4
123.11671	10.3
131.08578	17.3
132.98665	6.6
133.10133	46.1
135.11708	26.5
137.13339	7.3
143.08522	10.1
145.10136	23.8
147.11710	22.0
149.13181	10.5
159.11737	10.5
161.13277	13.4
171.11668	10.6
173.13335	10.3
175.14865	7.3
199.45015	6.3
233.18834	8.8
255.72182	6.8
297.25662	7.0
335.25473	7.7
337.27374	7.9
354.56912	7.5
569.45612	16.9
587.46594	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51882	3.3
57.16944	3.4
57.94974	3.7
60.08147	9.7
71.07377	6.9
86.09692	49.9
87.78213	4.4
91.11768	4.3
104.10773	5.1
124.99976	22.3
129.93983	4.4
131.60652	4.9
143.50618	5.9
153.13257	4.1
158.90305	4.5
161.08961	4.3
169.41624	3.9
184.07329	100.0
611.02008	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01233	2.1
60.08168	9.7
69.70108	2.3
71.07397	4.3
86.09697	36.9
86.10120	2.9
98.98505	3.9
104.10776	4.0
121.69860	2.4
125.00007	23.3
135.67862	2.9
167.22528	2.8
182.05725	2.7
184.07343	100.0
184.08865	6.0
191.87704	2.7
240.14076	2.9
455.51376	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00186	3.0
55.05489	3.5
56.05039	3.4
60.08151	16.8
65.94678	3.5
67.05493	4.4
69.07064	3.8
70.06584	100.0
71.04978	15.3
74.02443	7.8
79.05539	4.0
81.07052	9.2
84.04498	28.3
86.09691	6.8
93.07021	5.0
95.08588	5.6
102.05537	18.1
107.08578	4.6
116.07100	28.4
130.05022	12.5
148.06059	11.9
150.56284	4.1
158.08157	7.6
204.24324	3.8
246.74236	4.8
380.15213	5.4
451.06375	8.6
485.83636	4.6
588.30322	4.7
588.38593	73.7
612.58698	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54811	3.0
61.31264	2.7
65.03926	13.6
70.06579	19.0
72.08132	2.9
79.05556	2.9
80.34859	2.6
84.04500	6.3
85.02889	10.9
86.09686	3.0
104.59334	3.2
110.07153	4.2
111.04445	29.7
112.08736	4.9
115.08663	3.3
120.08094	3.4
134.05968	5.1
137.02362	3.2
139.03922	17.2
153.01822	20.3
169.01332	18.5
175.12024	3.4
216.70630	3.9
223.85231	3.1
229.04982	5.5
245.50624	3.0
253.04912	4.5
257.04401	6.7
271.06033	3.8
285.03839	34.5
299.05319	3.4
377.06589	3.7
433.05396	4.4
451.06555	100.0
529.54517	4.2
543.08893	10.6
588.35669	11.4
589.36005	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40522	1.7
60.91978	1.8
74.47823	2.5
80.10660	2.1
80.36502	2.1
87.06979	2.7
87.86746	2.0
141.13849	2.4
288.11386	2.5
303.13531	4.3
330.12408	3.4
331.13046	2.5
360.13443	8.6
361.14078	7.3
362.14734	3.3
369.22983	2.8
379.06897	2.8
389.13708	10.5
390.14462	10.3
394.17551	14.0
420.15536	100.0
421.15720	5.8
557.23901	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43134	8.0
59.50743	8.7
74.50951	8.1
74.82784	8.7
78.75365	9.2
82.87416	8.5
108.08143	13.1
153.01900	21.1
208.83292	11.7
242.73801	10.3
302.12842	16.0
361.14200	21.5
380.72006	13.6
390.17975	12.2
406.17673	100.0
408.19171	39.7
421.05261	22.8
452.18082	67.3
589.26788	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28428	46.1
54.46864	44.3
55.85986	46.5
69.05753	54.9
71.94192	56.9
80.02983	50.2
84.04536	56.2
88.16512	53.3
142.75218	69.3
163.21683	63.8
303.13434	91.9
406.17651	94.0
589.25543	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52262	27.1
56.96559	100.0
81.07051	38.7
83.06995	34.4
86.09722	40.2
91.05481	37.9
98.97609	97.2
119.08525	39.6
129.71935	38.5
140.00259	69.0
193.02945	37.5
200.02328	43.4
280.27921	37.2
334.20737	77.2
383.12488	40.8
472.35165	44.2
490.36078	42.5
529.26752	70.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42931	4.2
60.48696	4.6
73.79594	3.9
81.31377	4.4
84.04546	6.2
90.81379	4.0
137.02420	7.0
141.83931	4.8
142.05434	4.7
152.02751	5.0
153.01811	10.4
204.82269	5.4
355.27274	5.5
395.07843	5.6
421.05328	27.0
437.08875	10.7
487.37454	5.4
550.85956	6.3
589.31775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.0
57.07055	11.0
67.05495	11.5
69.07066	21.0
71.08617	12.4
79.05486	5.6
81.07043	57.0
83.08614	47.3
93.07030	7.9
95.08601	7.0
103.63905	3.6
105.07064	7.7
107.04935	11.0
107.08569	8.1
109.10190	4.4
119.08604	4.5
157.10130	7.0
211.14780	5.0
370.66293	4.3
409.34644	100.0
427.35812	4.8
558.52930	4.8
589.42517	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.9
55.05499	4.8
57.07068	25.5
57.27993	4.1
57.56434	3.8
60.43689	5.3
67.05492	21.2
69.07061	7.7
71.08623	9.1
79.05507	6.1
81.07046	38.0
88.84779	6.6
91.71001	9.6
93.07046	9.4
94.80899	5.5
95.08597	17.2
96.48975	5.2
105.26323	4.7
109.06516	11.1
109.10143	7.5
111.04446	15.4
121.10188	7.1
123.11614	7.7
137.05965	100.0
149.09651	5.5
171.11646	6.1
175.38907	5.5
206.71455	6.6
231.17628	10.2
249.18459	9.0
277.17981	45.8
295.19003	15.4
528.55719	6.3
589.44257	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06969	21.8
55.05496	35.0
56.38653	21.4
67.05482	78.9
69.07047	46.3
77.44728	25.4
79.05489	32.5
81.07043	100.0
83.08589	41.8
85.24051	25.5
91.05476	49.1
93.07027	66.7
95.08589	70.9
105.06993	34.6
105.63485	28.4
107.08559	43.6
119.08560	31.8
121.10167	57.9
159.20795	29.1
183.27368	30.5
244.08884	28.1
463.35968	31.3
510.89548	31.5
589.48694	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	29.0
55.61301	31.1
57.07068	40.7
67.05506	74.6
67.68150	29.8
67.93095	24.7
69.07065	49.4
71.08636	36.5
79.05495	31.5
81.07069	73.5
83.71937	29.2
91.05489	60.6
93.07043	34.0
95.08630	72.5
98.28239	28.3
105.07070	100.0
105.45190	28.2
109.01379	31.4
109.10134	29.5
110.47292	25.0
119.06516	26.5
119.08604	57.0
131.03938	28.4
133.10120	32.8
147.11632	39.6
220.47992	35.1
241.19559	37.2
259.20587	67.6
313.27576	42.1
333.24075	53.6
560.16864	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.1
56.05037	3.7
58.99588	11.6
61.77071	4.0
63.79866	3.7
67.91616	4.4
71.05005	4.8
76.02242	19.4
79.05495	11.1
81.07070	13.0
83.05071	4.5
84.04491	100.0
85.02900	6.0
86.09690	4.1
86.99052	5.1
91.05478	32.1
93.07030	11.8
95.04986	6.7
102.05574	9.0
104.85553	4.3
105.07022	38.6
107.08634	8.5
113.63718	4.7
119.08606	14.5
121.10207	14.7
122.02708	85.7
129.07051	12.8
130.04999	48.3
131.08571	28.6
133.10182	16.9
142.03210	30.8
147.11679	7.4
149.09615	7.1
152.06017	4.7
157.10118	6.1
168.06593	9.5
175.11325	7.3
188.03851	13.4
193.12241	8.0
194.38989	4.7
195.07735	5.7
214.00508	4.5
234.04375	8.4
251.06943	99.2
372.17572	5.5
380.11090	51.1
388.77869	5.8
461.19690	13.7
476.03351	6.0
513.17767	5.8
590.25275	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92701	25.9
72.17602	29.1
79.05519	49.6
91.05463	100.0
93.07055	38.3
103.53661	41.1
105.07049	41.2
117.07041	58.5
119.08606	73.3
123.24231	41.3
131.08502	46.7
147.08011	43.9
203.37062	38.7
240.73518	37.9
469.47061	40.0
522.90814	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.6
56.05011	0.5
57.07047	0.5
60.07868	0.6
60.08154	9.7
61.24895	0.4
67.05463	1.2
69.07067	0.5
69.37955	0.5
71.07362	4.9
74.97019	0.4
79.05466	0.4
81.07027	1.8
81.88697	0.4
86.09697	44.1
93.07021	1.3
95.08571	1.3
98.98460	3.4
104.10735	4.2
107.08557	1.0
121.10081	0.8
124.99996	24.3
125.00925	1.2
140.01033	0.5
166.02647	1.4
169.28493	0.4
179.14111	0.4
184.07329	100.0
185.07686	0.7
201.20721	0.4
253.27768	0.5
328.42648	0.5
442.50928	0.5
493.84705	0.5
572.36346	0.8
590.37933	2.5
590.47864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.6
55.22010	7.5
57.07065	25.2
60.08150	5.9
67.05489	33.0
69.07058	20.7
71.08622	50.9
74.51440	6.4
77.55472	7.2
79.05478	17.1
81.07052	41.0
83.08604	14.8
85.10175	24.4
86.09695	16.3
87.04475	18.2
89.06022	100.0
91.05466	25.5
91.71650	14.3
93.07040	28.0
94.93290	6.6
95.08608	27.8
95.39930	6.8
97.10176	8.6
105.07069	8.5
107.08620	15.0
109.10152	17.5
110.34206	7.2
119.08581	16.6
120.03968	7.9
121.06518	28.3
121.10117	6.9
130.08620	23.3
133.08595	56.3
135.08037	12.4
141.77405	6.8
149.09560	8.1
177.11276	14.4
184.07381	31.4
209.11806	10.2
221.14015	10.6
247.20628	20.2
291.23251	31.9
385.18143	10.0
418.01047	9.2
573.40198	14.3
589.48193	14.4
590.48608	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88884	3.9
55.38446	3.4
58.61427	5.0
58.72245	3.8
81.58914	5.0
93.07051	6.8
94.06541	10.5
95.07353	5.5
96.08112	11.7
104.28683	4.1
108.08114	12.2
110.09686	35.8
120.08080	30.5
124.16435	5.2
138.09126	100.0
166.08508	5.1
202.02611	6.3
246.67363	5.6
301.93292	5.3
398.17075	18.8
426.16586	16.0
545.24060	7.6
556.44989	6.2
591.24615	7.9
594.50000	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70170	4.4
53.96986	4.1
57.69004	4.5
59.96835	5.2
60.19211	5.0
63.55420	5.0
70.06547	5.8
71.17896	4.3
73.92968	4.6
84.04479	6.5
93.07027	18.6
94.06570	12.2
95.07353	10.4
96.08123	19.7
108.08118	13.7
108.36193	6.8
110.09673	27.9
120.08101	64.9
121.08884	6.1
122.09657	11.4
138.09138	100.0
179.81535	6.4
184.97369	6.4
206.17607	5.9
226.48323	6.0
241.13271	6.0
261.74915	6.2
266.81018	6.4
277.11261	7.0
398.16919	15.8
426.16299	10.7
545.24274	27.0
563.24927	18.1
609.37103	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53106	22.4
68.56210	18.9
81.07044	22.7
85.02883	27.0
89.46806	21.5
96.98142	20.9
105.07039	27.5
107.08600	36.9
115.93591	24.8
123.37415	22.5
127.03856	25.1
131.08635	30.4
159.11638	32.6
173.13315	39.2
223.14827	24.3
236.10168	25.6
236.78116	24.7
298.18741	26.6
325.21649	100.0
346.70920	26.6
381.97409	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	38.7
57.07059	58.1
67.05495	98.1
69.07050	13.4
71.08610	57.7
76.86140	16.0
79.05471	47.0
81.07035	80.3
83.08597	26.2
83.34850	14.4
88.58932	17.3
91.05463	33.7
93.07040	76.1
95.08598	83.5
107.08561	29.7
109.10196	31.5
119.08589	17.4
121.10129	21.6
133.10104	27.8
168.18614	16.9
216.87184	16.9
235.10736	18.9
237.20232	16.7
243.21220	22.9
261.19565	17.8
261.22211	50.0
262.42850	17.7
313.27307	100.0
317.24902	21.0
335.25729	51.0
364.06503	21.3
421.98877	18.5
523.52789	21.8
591.38428	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84620	16.1
57.07055	64.3
59.87705	17.3
67.05484	88.9
67.40163	16.3
69.07063	42.9
79.05479	57.0
81.07047	85.6
83.08592	31.1
91.71696	19.3
92.08318	19.4
93.07033	64.7
95.08604	54.2
106.10832	18.8
107.08585	35.3
108.40540	18.5
109.62447	21.3
113.10730	21.5
121.10155	28.1
195.29401	25.6
228.23038	20.4
243.21127	29.7
261.22220	55.1
313.27255	100.0
335.25821	39.7
370.37192	23.5
591.39240	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	27.7
57.03411	13.4
57.07066	75.7
67.05495	70.7
69.07059	23.2
71.08601	41.0
71.80913	9.5
79.05480	33.5
81.07035	80.3
83.08613	20.1
85.10161	11.6
91.05463	24.8
93.07047	58.5
95.08612	66.7
105.07038	25.5
107.08598	26.4
109.10155	30.5
110.88631	9.9
119.08578	11.4
121.10181	20.0
130.17332	10.3
135.11737	17.7
144.42859	10.3
145.10147	18.7
146.87964	11.9
149.13306	12.7
159.11655	14.1
163.14795	15.8
177.16313	11.0
183.90193	11.2
212.04225	12.6
243.21037	16.5
261.22122	31.6
261.36993	12.2
313.27335	100.0
335.25775	49.5
350.59283	11.3
355.84814	14.3
482.55405	11.8
573.48480	22.7
591.38647	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61053	16.1
69.03426	33.9
70.06596	20.6
79.05478	19.9
81.03398	21.0
85.02892	19.9
91.05474	22.3
95.04954	30.9
97.02903	21.5
97.60965	17.3
105.07024	28.1
107.04976	53.9
107.08615	24.0
119.08588	30.2
133.10141	100.0
135.08066	22.4
145.10164	20.6
151.90175	20.5
153.01826	22.3
155.53502	18.5
173.13264	40.7
189.22424	18.7
338.61279	20.1
535.21521	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
78.01949	31.8
79.56531	31.1
81.98636	31.5
116.98687	36.5
163.76529	34.1
184.07375	37.7
214.23990	43.4
390.53244	46.6
428.11487	45.3
548.28821	100.0
615.25104	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
59.19859	5.0
76.17423	5.9
78.68200	5.2
97.25301	6.7
116.12656	5.6
126.15414	7.3
251.49843	6.6
280.54532	7.0
382.27414	6.6
431.18558	12.1
460.22278	11.6
475.28226	8.3
522.43634	8.0
533.24927	29.9
554.55878	9.2
593.27441	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54616	11.1
52.89323	10.8
53.03963	11.2
53.67030	11.6
55.05486	11.0
56.61236	11.7
59.30950	9.7
62.68227	12.0
66.98047	13.7
67.05488	16.8
68.33423	15.0
70.76788	11.0
71.18658	11.2
82.99885	12.2
91.05441	15.8
93.06985	12.4
109.10218	19.4
112.09789	16.7
138.55354	15.2
192.34146	14.2
199.17822	13.5
289.76187	16.0
329.25238	17.5
349.87411	19.9
593.37994	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95383	3.5
51.87906	3.7
56.95895	4.0
62.21524	3.9
65.03920	12.0
70.36362	3.9
84.84820	4.0
92.37572	4.6
110.19249	5.1
117.60019	4.2
121.02856	7.5
139.03819	5.1
143.34187	4.9
149.02335	100.0
149.03511	5.7
175.03954	6.2
193.04968	60.8
385.09393	7.9
577.13458	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96093	5.5
53.00301	4.7
56.66109	5.3
65.03941	11.1
68.36256	5.9
127.70336	7.6
139.03909	5.4
143.13560	6.2
149.02344	100.0
149.03459	8.5
167.90797	5.8
170.39490	6.1
193.04958	70.7
281.76025	6.9
349.16434	7.3
443.52530	6.8
479.02133	7.7
577.13452	47.6
614.12628	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02944	4.3
55.01852	5.4
57.31488	4.4
68.26583	5.0
68.58015	5.2
74.28613	4.6
81.58282	5.1
81.87450	5.0
84.04501	24.1
85.02896	7.7
91.71081	6.2
92.44027	5.6
94.06599	8.7
102.05540	9.2
102.35525	5.9
115.85364	5.7
130.05043	6.1
134.06010	17.3
146.06007	20.9
148.07515	29.5
174.05507	26.2
181.22237	7.3
186.05490	6.9
188.07083	10.8
190.08656	8.3
190.25212	6.8
199.08682	14.6
204.06470	7.6
212.09341	6.8
213.10109	11.3
214.10881	8.4
215.11839	7.2
225.10188	10.7
227.11694	11.3
229.09833	14.5
230.08125	42.1
239.11853	11.2
241.09749	12.7
241.13229	7.9
242.08131	100.0
242.10371	9.5
243.11133	12.9
255.11218	17.1
257.12762	12.5
260.09238	29.8
269.12823	8.7
278.10208	60.5
283.10767	7.7
285.12317	8.2
296.11166	29.8
297.12338	15.2
298.13062	10.2
309.12451	8.5
313.11990	8.0
321.12231	7.6
325.11661	7.6
337.11722	8.4
337.15649	6.7
341.14978	7.3
357.14447	10.4
393.14328	12.3
396.62369	6.7
429.16309	10.6
432.17480	9.3
444.17346	17.8
540.19806	48.9
554.29041	6.7
558.20746	21.5
576.21771	67.6
583.58850	7.2
594.22937	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77433	6.6
51.78642	6.0
53.13825	5.8
55.22423	6.8
62.85581	6.4
62.95160	6.4
69.27254	6.5
84.04494	14.5
85.02872	9.6
88.21460	6.9
91.35320	6.7
109.05931	7.3
118.92995	7.1
122.06038	8.9
130.05066	7.5
131.12234	7.4
131.45425	7.8
134.06046	15.9
146.05960	18.7
148.07610	20.5
152.65042	7.5
174.05501	27.6
176.07085	16.3
186.05563	8.9
190.08653	10.2
200.09431	11.1
213.10152	11.5
214.10849	10.0
225.10327	9.9
227.11797	8.9
229.09737	10.2
230.08177	32.4
230.45399	8.0
242.08057	77.7
255.11336	18.6
257.13168	10.2
260.09192	36.0
269.12964	12.2
278.10217	100.0
283.10681	10.9
296.11124	13.7
297.12454	10.3
301.97449	9.6
365.14951	11.8
429.16284	15.1
432.17407	14.5
442.81961	10.4
444.17746	16.8
482.92413	9.0
540.19727	49.0
558.21185	17.7
576.21826	86.2
594.22589	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06574	1.7
60.08162	6.8
66.76756	1.1
71.07362	3.2
72.23135	0.9
86.09702	15.9
104.10739	100.0
111.07854	1.5
113.61892	1.1
113.62761	1.3
172.95230	2.3
184.07372	1.4
198.96773	6.5
209.05370	1.3
216.97881	3.7
218.98520	1.5
221.98312	6.8
222.53632	1.2
239.99390	1.8
245.00015	6.0
263.00992	1.9
274.43488	1.3
478.26318	1.9
534.29010	2.1
561.29669	1.5
594.30438	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49569	4.7
58.39859	4.3
60.08144	22.9
64.43668	5.1
71.07347	9.4
74.18710	6.0
86.09700	51.1
104.10744	100.0
107.66628	5.8
122.66114	6.1
125.00018	25.1
127.45803	5.8
159.19786	6.4
168.60774	6.7
181.13530	6.6
184.07326	79.4
594.33923	14.0
599.45819	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82356	0.8
58.06603	1.0
60.08155	11.0
71.07355	4.4
79.00960	0.9
86.09695	46.3
95.08591	1.1
98.98466	2.5
104.10724	3.0
124.99994	25.4
125.00909	1.3
157.87202	1.0
184.07323	100.0
263.16632	1.1
349.56812	0.9
500.27182	1.1
523.42664	1.2
545.40625	1.2
594.37988	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3763
Annotation	POV-PC
Peak:m/z	Relative Intensity
52.44184	0.5
54.29300	0.5
55.53464	0.5
56.04246	0.5
56.05016	0.7
57.07062	0.7
57.43932	0.7
60.08155	9.7
64.91969	0.5
71.04977	1.3
71.07357	4.4
78.19235	0.6
86.09694	47.2
95.08611	0.7
98.98441	2.6
104.10718	2.6
107.95368	0.7
118.18186	0.6
124.99988	22.5
136.20786	0.6
160.48799	0.6
166.02612	1.0
184.07324	100.0
260.48029	0.8
365.93369	0.8
386.92972	0.7
518.28668	0.7
594.37543	6.7
595.37738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06955	1.5
65.03950	6.1
84.34991	1.8
85.12295	1.9
97.02084	2.2
107.91051	2.0
111.08685	1.8
133.07935	1.9
139.03941	4.8
148.37854	2.0
149.02338	100.0
158.85739	1.9
193.04942	78.2
194.05315	2.4
197.20012	2.3
237.07549	24.2
237.09355	1.9
341.06860	4.8
360.64197	2.1
385.09070	13.2
429.11990	6.1
577.13300	11.8
595.31189	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	84.8
67.72240	17.2
70.06593	22.2
72.07609	14.3
83.21970	14.7
86.00365	17.4
98.97600	53.0
101.76923	17.6
108.55074	17.2
116.98618	28.7
134.99678	28.7
140.00191	52.4
144.25647	21.0
167.36412	17.3
200.02231	24.6
214.03838	27.6
289.11090	20.8
312.12668	26.2
329.14285	78.9
347.15131	25.0
352.15909	33.6
370.16849	100.0
389.16379	61.2
427.02444	19.6
430.19107	22.8
453.07913	19.9
504.58777	19.9
509.20886	43.4
551.21552	22.5
618.80414	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98675	47.3
56.81242	42.5
64.99153	39.0
77.35253	43.9
86.09701	76.5
99.58280	52.1
104.10724	100.0
125.28323	52.3
144.39427	51.6
160.38316	52.9
167.38513	53.5
170.83456	57.0
184.07307	80.3
194.06119	51.4
247.72157	54.0
270.76862	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79874	4.2
69.03427	12.2
78.42893	5.3
79.05464	5.3
81.03403	15.0
81.07040	8.4
85.02896	14.2
91.05467	9.3
91.71036	8.0
93.07056	13.4
99.04462	8.8
105.07055	7.2
107.08589	100.0
109.02882	8.3
121.10147	25.6
126.19306	6.2
127.03938	9.1
130.85168	6.0
149.09641	24.3
167.10695	35.3
205.89845	6.2
329.21017	9.3
565.20441	6.9
595.27454	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18959	12.2
53.45210	11.7
57.03418	21.6
59.20049	12.3
59.71706	10.8
64.42224	12.0
67.05492	59.6
69.07049	15.3
79.05503	29.0
81.07041	48.2
86.09682	15.4
91.05478	14.2
91.71059	22.3
93.07046	38.7
95.08620	43.1
98.98465	16.8
105.07086	14.8
107.08630	22.8
121.61282	14.7
142.83867	13.5
143.72206	14.8
163.06693	19.1
188.53342	15.2
214.06061	14.0
296.38736	14.8
313.99689	16.1
335.25809	100.0
344.72067	14.5
355.98453	15.7
510.98105	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23156	8.5
64.93807	10.0
66.12397	9.5
79.07538	11.0
100.11910	12.4
158.06335	13.7
178.41444	11.8
271.24597	11.8
289.37582	11.9
297.28336	15.7
360.10873	13.4
464.19348	15.0
595.30664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82997	5.0
55.05494	14.2
67.05501	89.3
69.03410	7.1
69.07052	12.6
72.95700	5.8
74.63293	5.8
79.05481	30.6
81.03411	7.7
81.07044	100.0
83.08613	15.2
88.77278	5.9
91.05472	28.1
93.07037	53.2
95.04992	9.6
95.08602	60.6
105.07027	18.4
107.08598	34.1
109.10141	37.1
119.08566	20.0
121.10156	32.0
123.11736	12.4
131.08615	24.8
133.10033	10.0
135.11668	28.7
137.13258	8.5
140.59323	6.2
145.10133	13.2
147.11688	12.2
149.13329	14.6
149.70285	7.4
159.11700	15.1
161.13217	10.7
163.14885	10.8
173.13297	17.4
177.16443	6.9
187.14891	7.2
224.84883	9.4
243.21078	29.0
261.22125	57.6
335.25848	20.4
353.26865	27.8
364.92084	8.0
419.13339	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37302	5.1
51.51100	5.2
53.25603	5.0
53.77103	5.0
56.01292	5.7
58.21979	5.3
60.08147	19.8
71.07384	6.5
83.23517	5.8
86.09700	68.4
100.76023	6.5
104.10749	100.0
125.00019	29.6
131.16417	8.0
143.24640	7.9
148.38879	7.0
184.07304	61.9
275.19171	7.2
596.35693	16.1
607.78113	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40019	3.7
52.15539	4.3
59.71819	4.3
60.07405	4.2
60.08142	10.7
63.77896	4.7
68.14464	5.1
78.84730	4.5
86.09692	42.5
86.34853	5.0
90.62679	4.8
91.71534	5.1
104.10761	11.7
112.88302	5.3
118.85387	5.8
124.99976	26.3
184.07344	100.0
195.85820	5.9
228.93915	5.9
314.08255	6.2
388.79007	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2906
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
55.01860	11.0
55.05494	18.2
67.05488	33.9
69.03416	41.3
69.07058	12.4
71.04975	10.0
73.02902	100.0
79.05492	10.0
81.03401	40.5
81.07056	51.3
85.02886	43.2
85.06536	35.8
87.00827	11.0
91.03982	8.8
91.05479	17.8
91.71064	11.2
93.07040	24.4
95.04939	16.5
95.08598	52.9
97.02884	18.5
97.06512	9.4
97.10146	22.3
105.07031	41.2
107.08598	61.6
109.02833	29.5
109.06426	10.8
109.10161	15.5
114.05507	15.7
119.08543	11.3
120.51687	9.3
123.08083	29.3
125.09652	18.5
127.03929	28.3
130.15395	9.2
133.10162	42.8
136.36169	9.1
145.10146	8.8
151.07538	23.2
151.11174	53.2
161.09627	18.3
163.11179	13.0
169.12241	82.6
189.12767	25.9
313.21646	19.8
331.22556	18.7
597.29346	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3035
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
50.82092	3.6
55.05496	20.6
57.03424	14.1
57.07069	6.1
61.72343	3.9
64.31916	4.2
67.05495	67.6
69.07069	31.5
69.07403	5.8
77.95470	3.9
79.05495	11.2
81.03413	5.4
81.06607	5.0
81.07051	53.8
83.08617	17.2
91.05489	8.1
93.07027	11.8
95.08607	39.7
97.10177	5.2
98.98478	12.2
101.22797	4.3
105.07115	4.2
107.08594	9.1
109.02905	5.6
109.10160	12.8
119.08582	6.2
121.10150	8.2
123.11720	7.0
132.78798	4.6
147.21779	4.0
245.22809	4.5
251.87706	4.3
337.27304	100.0
338.27750	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04883	5.4
66.09586	4.1
67.05484	7.1
74.05085	5.4
75.64111	4.5
77.21158	4.8
98.59851	4.8
104.10748	9.5
118.48815	5.1
125.74601	4.9
344.11441	5.6
348.95248	6.5
580.92181	6.0
597.33875	100.0
626.70441	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77828	6.5
69.07041	8.2
70.06587	11.9
70.64474	7.5
77.00066	7.9
86.09689	52.9
113.78677	7.7
114.05527	17.4
116.07100	12.1
116.47852	7.6
126.84627	8.7
146.63972	9.0
153.94678	7.8
157.09785	10.4
185.09207	100.0
256.12857	67.3
369.21216	75.7
434.84586	13.6
534.63428	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3761
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
126.47967	13.0
337.72168	15.2
597.37646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37785	5.2
73.38528	5.4
84.04498	16.9
99.50774	6.3
122.02778	16.0
130.05020	16.1
133.10155	6.5
147.14346	6.6
154.18240	5.4
188.03761	6.8
203.14369	26.6
219.15320	11.3
219.17406	100.0
219.19229	7.3
235.85706	6.4
249.42188	7.6
251.07062	24.9
263.27026	6.1
380.11102	29.9
440.24841	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58518	9.8
55.01841	9.8
55.35720	8.9
66.93717	9.7
67.05484	16.4
69.03412	49.3
69.07034	22.1
71.04965	12.8
81.03384	48.7
81.07049	18.5
85.02889	46.0
85.06529	80.6
91.05480	22.7
93.07044	27.3
94.17121	9.8
95.08602	37.9
97.02888	10.0
105.07026	39.2
107.08577	49.5
108.60490	9.3
109.02865	19.2
109.10144	35.9
109.99165	10.7
115.13323	9.1
117.07024	10.7
119.08595	34.5
121.10130	17.1
121.48021	9.3
127.03953	34.4
130.07793	16.7
131.08551	25.4
133.10115	71.2
135.11678	10.3
142.07736	11.1
145.10114	27.7
152.59702	10.1
157.10152	18.4
159.11702	42.1
169.10104	14.9
171.11717	12.4
177.12787	38.2
181.10098	17.8
183.11769	17.5
197.13232	23.7
206.73798	10.2
207.31581	11.3
242.25182	11.4
247.49533	10.2
281.35049	10.8
297.22141	100.0
300.84070	13.0
315.23303	15.0
368.98560	12.3
525.77881	12.7
563.28259	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95912	9.3
54.48543	9.3
54.95844	8.6
55.05493	19.7
57.03433	13.8
57.07052	13.0
64.10033	9.6
67.05485	72.6
68.24716	9.7
69.07043	32.2
71.08600	15.8
73.87494	11.4
77.52004	10.1
77.79418	12.2
79.05482	21.7
79.40107	12.6
81.07047	100.0
83.08605	34.9
83.63161	10.7
89.23586	11.1
91.05464	25.8
93.07047	34.9
95.08599	85.5
103.56537	12.5
105.07025	15.5
107.08591	24.0
109.02885	13.5
109.10152	39.9
116.85294	12.3
121.10120	23.7
123.11789	16.0
123.37776	11.2
125.89232	12.6
133.10083	16.6
135.11636	13.9
147.11594	12.5
245.22701	51.8
260.59048	14.5
263.23718	66.1
292.73065	15.1
308.91510	14.2
320.98389	13.0
337.27209	41.8
563.29779	13.3
579.10797	14.0
579.22235	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26971	4.9
60.08150	24.1
71.07367	9.1
78.92360	5.9
85.71194	6.1
86.09696	58.4
104.10735	100.0
124.99991	23.3
125.21928	6.5
184.07309	81.8
280.14563	7.4
293.49939	8.0
509.32718	8.2
572.32880	9.1
580.36200	8.8
598.37042	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	27.3
60.04501	32.7
63.40351	13.1
67.05461	15.1
70.06576	42.6
76.80499	16.0
81.74712	13.4
82.06605	19.2
83.04929	15.5
83.08605	18.3
97.26606	18.3
99.30338	15.4
100.11256	62.8
111.04432	18.7
112.14045	14.5
128.07089	17.8
164.36096	17.1
169.84837	15.4
182.15369	51.1
210.14874	100.0
221.71010	21.0
301.61041	16.1
302.20377	19.5
353.17935	19.1
391.24823	18.9
447.21613	17.9
501.65469	23.6
580.40393	23.0
598.41309	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49316	1.4
55.05507	22.5
57.07078	3.7
57.84733	1.6
59.49779	2.1
59.97849	1.9
67.05495	3.4
69.07080	2.7
69.78048	1.8
70.06594	8.4
76.61961	1.7
81.41033	1.7
82.06601	5.5
83.05017	5.5
83.08617	18.7
83.08994	1.9
84.08149	2.1
97.06533	2.4
98.09732	5.7
100.07614	20.6
100.08125	1.9
100.11251	63.7
101.06055	2.4
104.00912	1.9
110.06071	2.3
111.04434	26.1
112.07652	8.1
125.42168	2.1
126.09190	4.5
128.00066	2.2
128.07079	23.2
128.07797	1.8
139.08716	3.2
140.07088	10.9
147.11687	2.7
158.64867	1.9
164.14441	2.5
166.15936	2.7
182.15405	67.9
209.16425	14.6
210.14882	100.0
210.56696	2.2
211.15327	2.3
227.17650	5.9
228.15926	15.0
245.18744	7.5
337.21292	10.8
354.23837	3.3
355.22256	13.3
436.31696	3.7
451.02658	2.2
453.34839	2.8
454.33002	5.5
563.38171	6.7
581.38904	25.3
599.40192	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86427	0.9
57.07075	1.2
57.68760	1.2
69.07059	1.1
73.64169	1.2
85.44433	1.1
91.05514	1.4
94.04172	1.5
121.42406	1.2
122.03638	5.0
131.88788	1.4
137.05969	100.0
150.97765	1.3
163.12891	1.5
170.15433	1.6
246.98802	1.6
294.20834	2.2
306.20712	2.0
416.88040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.0
57.07069	14.2
57.08179	11.2
67.05488	48.8
69.07046	42.5
76.56802	13.9
81.07037	46.0
83.08603	30.0
87.99245	16.7
88.90463	12.7
91.05479	55.2
91.70969	18.0
93.07039	69.3
95.04925	29.2
95.08598	30.9
105.07032	56.4
107.08597	76.2
109.10170	27.7
119.08587	52.2
121.10131	72.1
123.08069	21.2
131.08580	30.2
133.10139	34.6
135.08139	28.2
143.08575	35.1
145.10155	49.0
147.11705	22.8
149.09644	22.0
151.07529	20.3
157.10149	20.0
159.11674	32.4
167.10664	100.0
169.10150	22.4
171.11720	32.9
183.98573	18.0
195.11685	17.8
197.13326	17.2
221.15393	22.0
233.15370	44.1
238.97198	17.2
599.41144	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01857	1.0
57.03421	2.2
57.43908	1.0
58.81562	0.8
63.66922	0.8
67.05507	3.3
69.03418	6.8
70.06580	1.2
70.25403	0.9
73.00974	0.8
73.02912	1.2
81.03426	5.2
85.02899	6.9
87.00790	1.2
92.41325	0.9
97.02890	3.2
99.04439	1.6
108.30614	1.1
109.02870	3.9
112.68735	0.9
119.03516	1.3
127.03906	5.7
136.06178	100.0
136.75230	1.0
148.06200	3.9
159.02898	2.3
159.06648	3.3
173.08212	1.3
175.09814	1.6
185.08226	15.3
202.10843	26.7
208.08434	1.2
220.11900	34.6
244.12859	1.0
277.12915	1.2
422.61319	1.2
424.18192	7.5
468.17218	28.8
556.22192	1.6
600.21283	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17669	2.9
60.08148	6.7
65.60674	3.3
67.05483	5.2
71.07345	4.0
73.66394	3.5
81.07042	5.6
86.09695	24.3
104.10735	100.0
127.49393	3.7
133.27774	3.6
187.15326	3.5
198.66541	3.8
262.03204	5.1
600.31335	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17669	2.9
60.08148	6.7
65.60674	3.3
67.05483	5.2
71.07345	4.0
73.66394	3.5
81.07042	5.6
86.09695	24.3
104.10735	100.0
127.49393	3.7
133.27774	3.6
187.15326	3.5
198.66541	3.8
262.03204	5.1
600.31335	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99569	17.9
67.05473	27.9
70.45655	20.5
72.61388	25.6
81.07047	42.9
81.17262	25.2
89.06024	79.5
91.05437	52.5
93.07037	34.8
97.06528	25.9
104.38673	23.3
105.07037	55.2
119.08579	42.5
121.10147	37.0
130.08708	38.2
133.08615	100.0
145.10153	42.9
157.10132	30.5
203.30421	27.7
233.15324	30.1
273.63498	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	20.6
57.07060	16.6
66.30382	7.3
67.05489	31.5
69.03416	13.0
69.07053	22.4
75.35452	8.4
79.05496	18.6
79.65993	7.3
81.07035	40.4
85.06540	8.2
88.77379	6.7
89.06017	23.1
91.05473	57.7
93.07034	79.1
95.02221	7.5
95.04964	15.9
95.08591	42.9
97.06557	13.5
101.17316	6.8
104.54655	8.0
105.07018	100.0
107.08591	54.3
109.06511	21.0
109.10131	20.4
111.08083	12.9
117.07019	23.8
119.08570	79.5
121.06481	18.7
121.10144	62.3
123.08080	33.6
128.06236	19.6
129.07034	27.4
131.08563	53.1
133.08569	19.4
133.10103	43.4
135.08060	28.5
135.11702	14.8
136.44650	8.0
137.09659	22.6
141.06940	13.4
142.07776	20.8
143.08559	42.2
144.09322	15.9
144.81180	7.5
145.10135	54.8
147.08055	26.5
147.11668	22.1
149.09569	18.4
151.07576	16.0
155.08566	17.9
156.09352	27.3
157.10097	50.5
158.10831	8.6
159.08063	22.2
159.11702	38.5
161.09576	17.5
161.13358	8.2
163.11206	11.8
165.06982	8.9
165.09076	37.1
167.10666	22.7
169.10156	26.1
170.10892	11.5
171.11711	34.9
173.09647	10.4
173.13287	15.7
175.11163	16.7
179.08521	9.9
181.10019	10.0
183.11716	25.5
185.13274	26.8
187.11050	10.5
187.14835	10.6
190.13588	9.6
193.10191	17.6
193.12155	14.2
195.11725	15.7
197.13260	22.1
203.14360	22.7
207.11769	12.7
207.13687	10.1
221.13402	18.5
221.15331	72.9
227.14221	8.8
233.15416	17.8
237.14754	16.9
248.13919	11.9
255.17458	18.5
271.17072	10.0
286.19409	10.2
287.19958	11.5
303.19421	38.7
352.23862	50.4
428.34412	9.4
520.35339	25.2
600.41370	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88555	12.2
52.12775	12.8
56.04166	12.8
57.00045	14.7
57.07058	19.1
63.61815	13.3
67.05486	81.9
67.44809	13.1
71.04967	33.3
74.37791	15.3
77.36184	18.3
81.07016	17.0
86.89111	15.6
89.06043	100.0
94.95819	15.2
97.75160	15.6
109.10151	46.3
115.96159	16.0
122.91249	14.3
130.08612	14.9
130.38773	15.5
133.08588	54.2
137.90033	17.3
151.03322	18.9
153.35716	16.8
327.17926	33.9
355.60391	20.3
411.30988	23.4
421.63483	18.7
460.60977	22.2
465.84854	20.8
467.36914	29.0
481.70810	20.5
541.00189	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86994	1.4
57.07071	11.1
61.69860	2.0
64.48214	1.6
71.08614	6.1
73.06528	1.9
73.55394	2.2
77.60226	1.7
85.10184	3.1
87.04460	7.8
89.06020	100.0
90.22427	2.0
93.07065	3.0
102.91718	2.0
121.10132	2.4
130.08627	21.9
131.07050	3.2
133.08598	71.4
151.64383	2.3
177.11180	22.4
187.97649	2.1
217.74384	2.2
218.22456	2.1
254.02162	2.5
260.83087	2.3
288.90878	2.2
309.18921	2.4
323.86926	3.0
366.56726	2.4
371.22693	3.2
381.91940	2.6
415.25360	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29899	1.5
57.07066	11.1
64.50882	1.3
66.87093	1.6
67.05495	2.4
71.08619	9.2
78.82532	1.5
85.10190	2.5
85.39860	2.1
87.04453	7.3
89.06019	100.0
96.09532	1.5
123.09227	1.8
130.08618	23.8
131.07001	2.7
133.08588	69.6
177.11186	20.9
182.53691	2.0
196.47385	2.1
221.13803	3.5
344.04919	2.4
359.65640	2.3
371.22809	3.9
415.25333	27.6
470.96344	2.1
600.46423	2.6
615.39868	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17114	1.5
56.56311	1.4
57.24915	1.3
57.73949	1.4
60.04515	4.8
63.11911	1.4
65.94974	1.7
69.74938	1.7
70.06584	100.0
72.25528	1.5
75.57264	1.7
86.09702	13.5
87.42297	1.6
120.13404	1.8
127.08674	7.3
134.04478	4.2
145.06038	2.0
155.08174	14.4
199.13901	2.0
203.06570	2.3
223.05087	1.8
242.11333	3.2
260.08896	2.2
375.15067	39.2
376.15128	1.8
500.74847	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21681	9.7
54.53613	11.3
55.05490	35.4
57.03404	10.4
65.79155	11.9
67.05491	37.9
69.03417	18.8
69.07050	32.1
79.05458	36.3
81.07057	70.9
83.04958	21.8
83.08588	21.7
88.08606	12.5
89.06005	43.0
91.05460	72.6
93.07030	88.9
95.04945	31.3
95.08581	46.0
97.06521	15.0
98.56532	12.0
105.07018	100.0
107.08575	92.3
108.97598	11.2
109.06501	27.6
109.10151	29.2
113.09657	11.8
117.07016	23.3
119.07841	11.6
119.08541	100.0
121.10143	71.2
123.08051	17.0
125.09645	16.4
128.06218	13.0
129.07008	16.9
130.07805	14.4
131.08551	54.7
133.08589	21.4
133.10097	70.5
135.08043	47.3
135.11684	17.4
141.06902	17.7
143.08572	26.6
144.34995	14.1
145.10075	72.0
147.08054	22.7
149.09616	35.3
155.08562	21.4
157.10120	58.7
158.10645	16.6
159.11659	46.5
161.09531	13.5
163.11194	14.8
165.07089	16.1
167.10635	55.3
169.10170	31.9
171.11664	45.9
173.13234	29.4
182.10867	13.8
183.11667	37.5
185.13342	20.6
194.10847	20.0
195.11589	24.2
197.13193	28.9
207.11794	22.0
209.13246	30.4
221.15419	22.0
233.15379	23.3
401.70773	16.4
586.25702	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40300	20.7
54.68288	18.4
55.86130	22.7
56.31155	19.8
57.07068	20.8
67.05482	68.1
69.07037	24.1
74.70332	20.1
77.89038	24.3
79.05523	28.5
80.57720	22.6
81.07058	84.5
86.42796	22.8
86.87041	24.1
89.06001	74.5
91.05474	43.4
93.07047	53.4
95.04974	36.2
95.08612	51.0
105.07026	71.7
107.08562	57.3
109.06442	24.6
109.10230	24.6
119.08600	100.0
121.10168	54.8
131.08601	43.8
133.08618	51.5
133.10126	66.6
143.08540	27.3
145.10118	69.8
157.10187	26.0
171.75319	25.3
197.13312	29.0
227.35548	24.6
343.70319	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08281	3.8
54.57254	3.6
55.05494	15.5
56.83190	3.7
57.07069	10.3
59.06709	3.7
63.00814	4.4
65.03932	3.9
67.05496	47.6
69.03412	17.2
69.07068	30.2
71.08628	13.5
79.05478	34.8
81.07049	56.3
81.07491	7.0
83.04972	17.9
83.08618	12.3
91.05466	58.9
93.07039	69.6
95.04963	20.9
95.08600	51.1
97.06529	7.4
97.10107	6.2
99.08098	8.4
105.07024	100.0
106.00912	4.7
107.08587	60.1
109.06473	11.9
109.10149	24.8
111.08083	5.5
113.09583	7.4
116.06255	6.1
117.07011	12.6
119.08583	81.7
121.06487	9.9
121.10141	65.8
123.08061	12.1
123.11677	5.5
125.09561	7.7
125.85625	5.3
128.06250	11.2
129.07018	17.5
131.08569	27.7
133.08586	10.0
133.10130	43.3
135.08058	17.2
135.11682	14.1
137.09616	15.4
141.06992	8.1
142.07796	15.0
143.08594	35.6
145.10114	55.4
147.08070	14.2
147.11644	12.3
149.09654	16.7
149.13132	7.4
155.08595	15.1
156.09325	10.6
157.10088	33.7
158.10817	7.6
159.08089	8.6
159.11685	26.7
161.09608	13.4
163.11191	15.6
165.09135	19.5
167.08575	9.5
167.10626	29.4
169.10109	19.3
171.11728	24.6
173.13316	14.8
175.11209	11.3
179.08498	6.5
179.14256	8.2
181.10229	7.0
183.11739	15.5
185.13243	13.8
187.14833	6.1
193.10220	10.3
194.10857	6.6
195.11681	19.5
195.25160	5.9
196.12515	7.5
197.13225	18.4
199.14742	8.9
200.19209	6.6
206.10712	6.3
207.11652	7.4
209.13367	16.0
211.14832	9.5
215.17682	5.7
221.15384	33.7
223.14803	9.9
225.16568	6.5
231.51967	5.5
233.15398	13.8
283.20621	7.0
307.22824	12.6
388.88708	5.8
425.77411	6.6
498.28839	7.1
512.83679	5.5
583.43384	11.0
601.43195	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	5.1
55.05501	25.6
55.11761	3.6
57.07064	9.0
65.03924	9.1
67.05491	38.6
69.03411	17.4
69.07055	29.6
79.05482	24.9
81.07047	52.3
83.04961	22.7
83.08598	15.3
91.05470	69.8
91.71634	8.8
93.07039	85.1
95.04955	41.4
95.08605	39.4
97.06501	16.1
103.05456	6.4
105.07022	100.0
107.08585	62.1
109.06494	16.3
109.10144	24.4
111.08136	5.4
115.05431	8.4
117.07021	17.0
119.08566	97.3
121.06500	9.8
121.10134	87.1
123.08062	16.3
123.11715	9.5
124.68140	4.8
125.06037	9.3
125.09621	9.4
128.06233	14.3
129.06992	13.5
130.07805	11.7
131.08553	39.7
133.06511	6.8
133.10120	53.0
135.08058	19.0
135.11696	13.6
137.09592	9.3
141.06969	9.5
142.07721	30.6
143.08577	47.4
144.09357	10.1
145.10132	64.4
147.08052	22.0
147.11711	28.7
149.09598	21.6
151.07578	5.4
155.08574	11.1
156.09352	15.9
157.10127	57.7
159.08049	16.4
159.11641	31.8
161.09578	16.8
161.13246	10.1
163.11101	8.9
165.09082	27.1
167.08566	10.0
167.10674	49.8
168.09331	10.4
169.10109	27.4
170.10820	9.7
171.11696	28.2
173.09619	9.2
173.13280	19.1
173.15846	5.1
175.11125	9.9
175.14810	13.4
179.08516	7.3
181.10110	14.9
181.12248	10.1
182.10910	7.4
183.11690	21.6
184.12364	6.2
185.13266	19.8
187.14749	7.6
189.12752	8.6
191.14294	5.2
193.10205	10.2
194.10912	6.3
195.11673	12.7
197.13246	23.5
199.14847	11.7
203.14330	17.4
207.11731	16.4
207.13812	6.8
209.13264	15.2
211.14825	15.8
216.86371	5.5
219.11632	6.9
221.13321	9.2
221.15302	62.3
222.15691	6.7
223.14861	7.9
225.16367	10.1
227.14328	9.7
233.15349	17.1
235.14719	15.0
237.12482	6.9
261.16412	6.2
275.17868	8.7
315.21185	6.7
336.11353	5.6
349.25043	6.2
601.42139	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07087	25.2
67.05489	46.1
68.05070	23.7
81.07030	49.9
83.08683	32.6
89.06033	71.7
91.05490	60.8
93.07046	62.8
105.07016	74.0
107.08644	35.3
119.08563	80.0
133.08643	40.2
133.10120	50.2
145.10095	62.8
165.09134	90.6
191.24786	30.7
221.15431	100.0
308.27332	40.1
543.75952	31.5
565.67285	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22365	8.8
53.01958	8.3
57.07076	14.0
60.35780	9.6
64.64561	8.2
66.23821	9.0
66.66372	8.8
67.05500	28.1
69.03446	19.6
69.07088	13.6
79.05485	12.0
79.33967	10.1
81.07075	34.0
89.06033	13.2
91.05509	16.1
91.71626	23.3
93.07059	41.1
95.05035	12.9
95.08615	17.9
105.07077	34.9
107.08617	22.6
109.10168	15.3
117.07167	14.8
119.08625	38.7
121.10185	17.6
126.87531	11.3
131.08652	13.1
133.08627	26.7
133.10172	24.5
135.08125	20.3
138.76616	11.0
145.10191	37.6
147.08054	17.7
157.10138	31.9
157.17407	13.5
159.11719	18.0
165.09160	46.7
171.11763	15.0
175.11317	15.6
203.14380	17.1
207.32152	13.3
221.15356	100.0
240.22563	12.2
272.30811	12.4
509.36371	15.1
576.86597	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	24.8
57.07064	12.2
59.04985	12.5
59.83623	8.0
67.05484	42.3
69.03414	20.7
69.07047	34.4
71.93070	7.7
76.81867	10.3
78.88175	8.0
79.05485	38.1
81.07055	52.3
83.04977	21.5
83.08606	23.7
91.05470	72.2
91.67902	11.0
93.07034	81.7
95.04977	22.1
95.08615	32.5
97.06516	15.6
105.07020	100.0
107.08562	73.5
109.06532	15.9
109.10154	30.8
117.07017	12.0
119.08584	92.9
121.10143	91.4
123.08066	13.4
123.11690	11.8
125.09644	17.6
128.06226	11.0
131.08569	47.4
133.10120	50.1
135.08115	11.4
135.11650	10.8
137.09615	12.7
141.07040	12.8
142.07724	21.7
143.08569	46.0
144.09393	13.7
145.10115	65.6
147.07983	12.4
147.11676	18.8
149.09650	19.6
155.08640	30.3
156.09348	19.1
157.10141	51.1
159.08115	12.3
159.11696	29.1
165.09117	12.0
167.10695	57.4
168.09319	11.8
169.10130	42.8
170.10915	13.0
171.11668	24.9
173.13240	11.5
179.08514	11.9
181.10033	22.9
183.11758	29.0
193.10184	12.5
195.11659	14.4
197.13232	18.1
199.14709	13.9
201.16322	11.1
207.11620	16.4
221.15417	13.1
233.15335	21.1
271.28806	11.0
394.18542	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	2.9
53.03949	4.0
55.05511	9.3
57.03437	4.4
57.07074	14.9
59.04983	4.5
60.40807	2.8
67.05503	25.1
69.03429	12.9
69.07069	13.6
71.08619	10.5
77.69196	3.6
79.05478	21.9
79.79614	3.5
81.03446	3.8
81.07053	40.0
83.04974	9.8
83.08618	7.4
85.06550	8.5
91.05466	41.7
93.07030	51.2
95.04993	11.6
95.08596	33.1
97.06571	4.6
99.08129	4.9
105.07022	56.6
107.08588	25.3
109.06567	11.6
109.10124	18.4
112.84664	3.4
115.05436	5.8
117.07072	11.5
119.08579	51.2
121.06510	8.5
121.10136	30.0
123.08105	17.0
125.05981	8.3
127.33700	3.8
128.06239	7.1
129.07042	8.5
131.08572	25.9
133.10114	21.0
135.08104	10.9
135.11743	11.6
136.59006	3.3
137.09677	17.1
142.07785	7.5
143.08586	20.2
145.10092	33.0
147.08051	26.5
147.11708	6.3
149.09712	6.4
151.07567	9.7
155.08617	6.9
156.09433	4.8
157.10187	16.7
159.11674	23.8
161.13266	6.7
163.11192	11.9
165.09097	53.6
169.10196	12.9
170.11015	4.8
171.11757	11.9
173.09807	4.3
173.13300	6.3
175.14827	4.2
182.11011	5.8
183.11772	11.6
185.13303	6.7
187.14864	4.3
193.10147	4.6
194.72353	4.1
195.11868	3.8
197.13269	8.2
203.14243	21.2
207.11758	5.8
213.16370	4.3
221.15324	100.0
237.16452	4.4
293.21393	5.9
367.26239	9.2
491.35141	8.3
583.41693	7.6
601.42584	18.1
612.92035	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	39.3
67.05511	45.5
79.05491	33.8
81.07066	65.4
91.05508	62.1
93.07054	77.2
95.04996	28.1
95.08614	62.5
103.90202	21.1
105.07056	100.0
107.08609	60.0
109.06557	26.4
109.10200	34.3
117.07034	36.0
119.08619	98.5
121.10195	83.6
131.00029	21.1
131.08568	28.4
133.10173	69.4
135.19547	19.8
139.58080	21.7
141.39355	20.6
145.10185	62.6
159.11751	33.7
174.13554	22.3
189.16330	23.7
349.85287	23.6
489.89819	24.6
509.28229	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.3
55.05505	42.4
57.07060	9.3
63.17145	5.7
65.03910	9.3
67.05177	7.8
67.05497	100.0
68.98015	5.4
69.07056	24.5
79.05482	42.5
80.59029	6.1
81.07053	90.4
82.39694	5.7
83.04964	18.6
83.08595	27.8
85.02908	9.5
91.05469	39.9
93.07044	47.3
95.04951	47.9
95.08581	32.6
99.08073	9.8
105.07040	26.4
107.08584	25.5
109.06488	7.9
109.10162	14.6
115.25670	7.2
115.69180	6.7
117.07067	7.3
119.08580	21.8
121.10105	16.7
125.09627	11.1
133.10112	16.2
135.11688	11.9
138.54745	8.2
145.10167	12.7
145.77695	7.2
147.11685	8.6
149.09610	12.6
161.13269	11.4
163.11194	14.3
223.13364	32.0
227.12851	8.0
248.00287	7.0
254.06845	8.5
275.17297	7.2
275.19907	32.8
293.21194	14.6
309.24222	11.0
375.10947	7.4
472.89557	7.7
601.44482	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69349	11.9
55.05508	21.9
57.03423	16.2
63.24108	11.9
67.05508	54.7
69.07073	24.7
71.08622	100.0
73.97282	12.5
74.58083	15.5
79.05518	51.9
81.07061	78.5
83.05000	15.5
83.08651	18.2
91.05490	60.3
93.07066	56.9
95.08636	54.2
99.08110	41.6
105.07079	41.1
107.08603	31.5
119.08608	35.9
121.10207	40.8
131.08615	33.9
133.10176	24.8
140.69612	14.5
143.08609	15.1
145.10245	21.6
149.09708	25.1
151.11255	23.2
188.37567	13.9
256.43909	15.8
259.69583	14.6
335.26059	17.6
456.69574	16.2
476.56653	16.0
479.80911	18.0
490.71188	16.9
520.63391	16.7
583.43286	29.0
622.57324	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90337	60.3
78.53068	69.5
83.01096	67.8
88.75072	68.4
146.30894	85.6
165.05112	84.8
200.05557	75.8
200.64038	76.8
216.32472	81.0
246.05081	94.4
252.21481	99.2
281.18954	98.0
517.23535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81173	4.7
52.70642	4.2
57.07060	10.7
61.23689	4.1
64.59154	4.6
68.82888	4.1
70.06588	47.1
88.07617	38.6
102.09156	32.5
121.01487	5.3
149.02338	60.9
149.04929	4.9
163.64481	5.7
193.04926	71.3
200.20068	88.6
202.08466	5.8
233.65323	5.4
237.07536	21.8
341.06561	11.6
359.07483	7.3
370.03409	5.6
385.09119	18.4
408.33405	6.0
429.11566	34.9
532.10352	6.7
602.29523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24548	13.4
71.32360	14.4
74.01718	13.1
148.07584	15.0
288.02145	17.6
298.49753	21.7
377.05212	18.0
559.29053	34.8
603.27869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	28.6
57.07052	15.1
57.07435	8.1
62.79776	10.6
67.05494	79.6
69.07053	24.2
71.08643	10.7
79.05487	30.0
81.07057	100.0
83.08613	11.9
85.10166	16.1
91.05465	32.2
93.07031	30.9
94.04175	8.0
95.08588	41.8
97.06478	9.6
98.56897	8.3
105.07046	27.3
107.08580	20.2
109.10161	27.1
112.86773	9.9
113.09655	15.5
119.08578	14.0
123.11724	11.0
166.75531	10.4
273.53592	10.7
277.21759	38.1
287.21051	10.7
295.22556	62.1
302.32614	10.0
314.08090	11.0
438.25528	11.4
586.28375	10.8
603.46027	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	24.7
57.07071	17.6
59.20165	13.6
66.19400	12.9
67.05495	100.0
69.07059	18.2
71.08644	41.4
72.22749	12.9
79.05520	39.3
81.07048	97.1
83.08630	24.3
85.38083	12.2
91.05489	37.7
93.07040	74.8
94.25189	12.6
95.08597	71.6
97.10226	21.5
99.08108	29.9
107.08600	26.0
109.10166	20.4
119.08610	21.0
121.10172	31.4
133.10187	24.1
135.11739	33.4
161.48865	13.8
179.14343	71.9
205.86732	15.1
272.54367	15.8
277.21786	50.9
309.24377	66.2
329.55365	16.4
394.47079	20.4
399.27048	19.6
585.44995	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	7.5
62.24259	7.2
73.02912	9.2
77.81789	7.1
85.06532	28.6
86.09698	7.8
87.04463	75.6
89.06017	100.0
96.50507	7.6
117.09109	10.4
126.09156	17.0
129.09123	40.9
130.08621	20.9
133.08595	64.8
149.00418	9.4
173.11703	23.5
177.11293	24.0
225.14191	8.4
238.52495	8.7
300.50595	10.4
343.44360	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	42.8
62.84978	14.3
71.79423	17.3
83.04989	37.2
84.04513	16.6
89.06033	40.4
92.63585	21.0
97.91385	18.1
102.21620	19.9
105.45417	17.3
106.67863	17.5
107.07068	31.8
108.06178	20.6
111.04438	26.1
125.72886	18.0
129.05481	19.3
142.80910	20.1
146.02415	100.0
155.07033	56.3
173.08118	59.5
217.10594	48.0
265.06021	40.1
309.08679	85.8
371.12451	53.7
415.15012	28.9
461.21863	23.7
465.46576	28.3
477.18634	70.4
622.99872	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58048	19.8
64.83839	21.7
73.01746	18.1
75.62383	20.9
78.99809	21.3
84.21904	22.0
86.73098	21.2
86.78214	21.9
123.97330	27.2
126.82311	22.8
198.84387	24.9
202.97104	24.7
215.11691	23.1
219.01472	26.2
261.44800	27.2
315.13364	30.0
404.15875	31.2
406.17578	100.0
421.12482	27.6
450.16492	56.1
543.26251	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80610	7.4
54.93300	6.4
58.68059	6.6
61.05992	6.3
63.68317	5.6
63.88212	7.7
71.51749	6.7
103.56405	7.8
116.71717	8.5
138.09218	8.1
144.45985	8.9
168.00121	8.3
193.00117	8.5
202.07336	14.9
217.09819	13.6
256.08365	10.9
257.09241	15.0
259.47400	9.9
261.08661	100.0
277.08234	11.5
285.08752	32.3
287.10300	35.0
301.11685	63.3
302.16675	8.8
310.91660	9.2
313.08102	24.2
330.99362	9.5
331.09213	15.4
398.17233	23.9
406.17697	22.9
424.19116	9.8
468.17548	10.1
543.25812	17.4
550.97528	9.7
572.84839	11.8
606.03528	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38839	8.8
53.01294	7.3
53.03947	8.1
54.04260	7.4
55.01847	15.3
55.05502	62.8
56.68848	8.7
57.03407	7.5
57.07063	87.3
57.31495	7.1
67.05495	100.0
69.07059	42.7
71.08610	65.1
79.05495	32.7
79.51943	8.4
81.03410	10.8
81.07039	87.9
83.04967	12.3
83.08596	51.7
85.02911	11.6
85.10170	29.3
91.05495	49.5
91.71031	24.2
93.07031	43.3
95.04960	72.3
95.08593	67.8
97.10166	15.7
99.04464	19.5
105.07040	22.2
107.04945	16.5
107.08595	39.0
109.06528	13.2
109.10150	44.5
111.04417	19.2
113.12093	10.5
117.07067	11.8
119.08585	16.5
121.10150	19.9
125.09579	9.3
125.24212	9.7
127.88719	10.5
131.08536	17.2
133.10112	16.1
135.11700	15.8
145.10088	22.7
147.11679	16.5
149.09656	30.5
149.13293	11.1
163.11168	31.5
189.11270	12.2
223.13219	67.1
275.20050	61.3
293.21115	37.5
297.51752	11.2
313.27432	30.9
335.38129	11.8
349.23767	13.2
605.39136	12.5
605.48206	74.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18880	18.3
51.68409	15.8
55.05497	42.9
56.91941	16.1
57.07062	82.1
63.02405	18.5
67.05489	100.0
69.07059	19.5
71.08620	53.6
76.78200	19.3
79.05488	44.4
81.07049	74.8
83.04971	20.6
83.08619	26.1
85.10174	27.5
91.05463	39.3
93.07030	46.1
95.04988	67.2
95.08598	74.4
97.10181	34.0
98.02613	19.3
105.06991	26.2
107.08589	36.1
112.61746	20.8
115.71581	20.4
135.39133	21.7
223.13307	31.4
275.20105	57.8
313.27499	26.3
325.55490	28.2
356.89645	23.4
516.98407	29.4
605.47498	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88117	1.2
53.27741	1.1
67.05489	1.9
73.02914	2.3
73.04741	4.5
73.06545	1.8
77.00586	12.6
79.02141	2.0
82.56740	1.3
86.09633	1.3
87.04489	1.5
89.06022	12.8
91.05807	7.3
91.71030	3.3
94.03236	2.1
95.01635	52.0
102.03737	6.5
103.02192	2.3
114.07346	26.4
117.07305	2.1
117.09123	1.6
118.03207	100.0
119.01598	5.1
121.03185	10.0
130.08604	2.0
133.08607	3.2
144.04750	5.5
145.06786	18.4
147.04712	78.7
161.09923	3.1
162.05875	1.9
165.05771	12.4
188.07307	12.8
189.09479	8.7
191.07339	32.3
204.03558	1.6
221.08331	1.6
233.11960	2.1
235.09962	6.2
239.09441	12.1
279.12723	1.9
409.22589	6.2
586.88953	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50365	5.3
70.00665	5.1
71.64460	5.1
72.08142	30.3
86.09687	68.6
91.05481	10.1
95.07827	6.2
98.57529	6.6
109.46365	6.4
115.38473	7.5
119.04951	6.9
136.07570	100.0
166.58888	7.5
167.09381	7.8
173.86935	6.2
179.00194	6.2
227.17665	9.2
235.14439	31.2
263.13943	35.1
317.61804	7.0
369.53482	8.4
376.22342	23.3
568.48175	7.2
611.88287	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06326	3.2
55.82921	3.9
70.06562	4.7
84.04485	28.2
86.56859	3.7
93.07039	6.1
94.06551	10.6
95.07346	8.8
96.08130	12.7
102.05517	9.8
108.08119	5.8
110.09647	27.7
120.08141	21.6
126.05508	15.3
138.05511	17.3
138.09128	100.0
148.06096	5.1
164.07019	8.6
166.08632	12.4
168.78558	4.4
179.26167	4.1
181.09727	6.6
186.07668	4.8
364.33423	5.1
392.41046	4.9
442.15985	8.4
501.00513	5.3
569.70599	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.09535	11.5
51.02125	11.6
55.05816	13.5
68.50956	13.8
81.07061	15.5
93.07050	17.9
94.48411	14.3
113.39901	16.1
114.66948	18.9
134.79407	17.0
169.26611	15.8
197.53764	18.9
223.79570	14.1
225.44670	14.0
286.70398	16.7
454.36218	20.2
607.25525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
65.91895	3.9
73.70220	4.0
124.59971	4.4
174.54182	5.1
233.09460	5.1
431.18317	6.7
434.93631	5.9
442.34998	4.9
460.22479	14.1
461.23141	11.0
547.27112	25.6
607.29047	100.0
625.82349	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2911
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
53.80592	3.1
54.69012	3.3
57.07088	6.3
69.07060	4.0
71.08609	5.7
76.83425	3.8
79.03993	3.5
79.29866	3.9
81.07031	5.5
93.24459	4.0
101.26604	3.7
119.00725	4.3
119.36440	4.0
138.87280	4.4
163.78711	4.2
245.39255	4.9
310.83978	4.8
322.69391	5.3
417.20364	6.1
418.21661	4.6
431.18756	7.3
433.23618	10.5
445.20200	11.8
459.21313	5.4
460.22430	12.4
461.23129	22.4
520.92816	5.3
547.27057	44.4
607.29065	100.0
608.29236	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58524	5.9
55.05486	10.4
56.17192	6.6
57.07059	18.8
59.29868	7.7
63.33822	7.5
67.05495	19.0
69.07043	12.3
71.08607	16.9
72.75532	7.9
77.23510	8.3
81.07032	42.5
81.61992	7.2
82.80319	7.8
85.10160	9.9
93.07076	10.8
95.08605	25.3
100.04082	9.6
104.52225	8.3
105.07040	11.0
107.51384	7.7
109.06494	18.1
109.10151	9.6
110.80043	8.0
111.04426	16.0
119.08557	9.2
122.39117	8.5
137.05975	100.0
143.60222	8.7
277.17975	32.4
295.18851	13.9
313.27386	30.2
332.96719	10.1
405.98715	9.9
414.15686	10.8
436.09485	9.3
481.12915	10.1
567.09607	10.6
589.44983	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70134	15.8
53.93978	12.5
55.05489	23.6
57.07064	51.9
61.37431	14.8
67.05490	56.4
69.07040	17.5
71.08614	44.4
77.23512	16.4
79.05484	32.5
81.07036	85.0
83.08611	24.8
85.10156	19.1
91.05478	44.3
93.07021	48.8
95.08591	56.3
97.10135	17.4
98.61168	15.0
99.08077	29.4
101.82460	17.1
105.07019	23.5
107.08601	20.4
108.18407	15.1
121.10120	21.7
133.10143	17.2
135.11618	34.4
137.05978	30.5
179.14319	58.5
277.21515	40.0
277.61014	17.4
313.27356	100.0
567.22107	23.7
589.47845	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.5
55.34788	11.2
56.40785	10.3
57.07061	61.1
61.92855	9.3
67.05493	60.4
69.07045	27.2
70.51106	11.0
71.08614	46.1
71.96473	10.4
79.05471	21.8
81.02161	10.4
81.07042	53.2
83.08624	15.6
85.10166	54.5
91.05466	24.6
93.07047	35.7
95.08588	37.1
105.06976	16.9
109.10133	26.0
113.09633	19.3
113.31638	11.0
118.55220	12.1
147.53233	12.2
165.12753	25.8
277.21582	42.0
295.22531	100.0
309.06644	15.2
313.27359	27.3
422.81998	13.5
551.70862	17.1
607.49017	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.4
55.39632	11.2
57.07052	56.8
60.39370	11.9
67.05486	65.5
69.07036	30.5
71.08617	62.8
75.25387	11.8
79.05463	21.0
81.07048	81.4
83.08609	35.6
85.10157	42.7
91.05453	41.8
93.07033	29.1
95.08608	76.4
105.07024	25.7
109.10134	21.9
118.03464	14.0
121.10104	13.8
133.10266	14.5
137.32120	13.8
141.93434	13.5
142.24246	18.9
149.13237	15.2
151.11188	17.5
257.24387	15.6
277.21649	44.8
313.27319	100.0
351.25333	21.0
568.05493	18.5
589.49597	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.7
55.05509	24.1
57.03424	10.0
57.07072	63.8
64.08198	9.3
66.10009	9.4
67.05497	68.1
69.07076	36.7
69.55023	10.7
71.08616	58.0
79.05510	26.4
81.07040	100.0
83.08630	23.5
85.10184	22.0
91.05502	24.6
93.07062	26.4
95.08585	59.4
97.10203	11.1
99.08126	16.6
105.07079	24.4
107.08586	14.3
109.10189	23.2
111.08141	11.2
133.10158	11.8
151.11226	20.2
165.12848	16.3
182.79343	11.3
183.22734	12.9
277.21738	45.6
295.22855	16.8
313.27069	69.5
351.25345	13.2
407.91147	12.9
445.74542	16.3
589.48517	32.3
620.48718	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03056	0.8
54.48538	0.7
56.05031	0.9
57.07062	0.8
58.00060	0.8
60.08150	10.7
67.05489	2.5
71.07363	4.3
76.20189	0.7
78.28780	0.8
81.07062	0.8
86.09695	45.9
98.98469	3.8
104.10736	3.0
124.99993	24.6
133.52031	1.0
184.07330	100.0
185.07683	1.4
216.48106	1.0
222.32382	1.1
608.38971	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68891	1.5
60.08168	10.4
65.66077	1.5
68.59519	1.8
71.07362	3.3
86.09697	45.4
104.10764	3.7
125.00003	21.7
128.25787	2.0
138.42674	2.1
149.08479	2.2
172.51854	2.4
184.07335	100.0
272.68134	2.8
310.81940	2.5
464.68848	2.5
563.34558	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49614	9.9
59.04994	10.8
63.31945	8.4
85.02876	17.9
93.07041	33.3
95.08652	13.7
107.08596	27.6
121.10142	100.0
125.09732	11.8
127.03955	18.8
135.11691	15.1
145.10144	11.7
163.11140	26.6
181.12209	63.2
218.67029	12.1
420.10059	14.2
582.11572	15.0
609.28723	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19503	3.8
51.65901	3.4
59.46098	3.5
63.22736	3.8
64.75806	4.0
68.26467	4.3
79.05463	4.7
79.92580	4.7
81.07073	5.5
91.05458	4.8
92.81558	4.3
105.07045	6.1
121.06451	5.3
122.07294	25.5
135.04349	5.3
152.07051	5.4
153.05455	7.2
160.10683	5.3
180.13808	6.7
185.09544	6.9
199.07391	5.3
213.09120	15.9
259.09634	9.6
271.09634	20.8
273.11197	100.0
578.89746	6.0
600.02460	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4511
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.19565	7.3
55.05493	42.0
57.07059	9.7
58.00766	7.3
62.10378	9.2
67.05495	70.1
69.07065	27.9
78.40279	10.1
79.05492	25.2
81.07045	52.0
83.08611	12.1
91.05473	21.8
91.71579	17.5
93.07041	40.3
95.08610	36.8
97.10162	11.2
104.93707	9.0
105.07024	29.0
107.08580	29.7
109.10160	20.9
117.07007	16.7
119.08572	28.6
121.10161	16.9
126.86220	10.1
129.07030	19.7
131.08577	22.8
133.10126	20.5
143.08595	29.6
145.10138	12.3
147.04051	10.3
157.10121	21.5
159.11551	14.3
169.10168	19.3
171.11620	16.3
173.13190	20.0
177.63960	9.7
181.10074	14.5
192.10498	12.3
197.13220	15.3
591.43738	17.9
609.45325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86428	27.2
70.06585	77.1
84.04504	100.0
85.02884	37.7
98.69549	31.7
102.05517	61.4
108.04485	49.6
109.10551	32.7
111.32204	34.0
201.02869	33.9
224.80185	40.8
293.83276	43.0
296.19470	38.1
556.18896	59.5
558.31073	42.9
592.21332	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3712
Annotation	PGPC
Peak:m/z	Relative Intensity
50.91493	0.5
56.05025	0.7
60.08155	9.3
65.75922	0.4
65.85818	0.5
70.06583	0.5
70.79057	0.5
71.07063	0.5
71.07366	5.5
86.09698	41.9
91.71657	0.6
98.98448	2.9
104.10733	3.2
124.99995	24.5
136.20775	0.6
152.92308	0.6
156.03119	0.6
159.91272	0.5
166.02573	1.2
184.07329	100.0
185.07639	0.7
224.86148	0.6
242.26582	0.6
341.84576	0.7
472.93311	0.7
610.37048	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45782	20.8
56.96573	54.1
76.33236	28.1
81.07065	30.6
98.97603	62.8
119.62856	25.2
140.00233	48.7
143.42998	29.6
149.01230	29.5
154.01854	36.9
158.01326	32.9
172.02853	42.9
200.02383	95.0
273.11270	36.2
315.16425	100.0
316.06610	32.6
356.19092	65.8
356.72336	30.2
529.12128	30.5
551.24823	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	30.3
57.03444	8.9
57.07070	16.7
65.33797	7.5
67.05500	54.6
69.07061	25.8
79.05488	32.7
81.07044	52.8
83.08611	28.1
91.05468	31.3
93.07043	44.7
95.04973	10.1
95.08604	38.5
104.90514	10.8
105.07018	17.7
107.08589	14.8
109.10106	15.0
115.51593	9.5
117.07028	20.0
118.10194	9.7
119.08584	28.2
121.10143	9.9
129.06979	17.7
131.08574	23.0
133.10165	21.7
143.08598	33.5
145.10100	20.0
157.10162	21.5
159.11606	21.7
161.13245	18.3
161.60638	9.4
169.10123	17.3
184.98132	11.2
185.13235	15.2
187.14809	11.5
287.97348	11.9
469.52905	12.3
528.53619	11.1
611.46936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22630	12.0
54.11372	12.7
55.05492	32.8
57.07063	22.1
67.05492	54.3
69.07054	31.8
79.05455	23.8
81.07051	60.6
91.05461	30.2
93.07023	45.2
95.08601	66.6
99.83499	16.9
105.07043	29.7
109.10162	17.2
119.08609	31.5
124.14457	13.6
128.98418	13.8
129.07013	15.3
131.08566	48.3
133.10153	22.7
143.08527	28.3
145.10135	26.6
157.10120	43.4
157.19193	18.4
169.59587	16.1
170.64365	16.1
184.07446	21.9
190.60800	14.7
198.88477	16.1
199.14914	17.4
239.17810	18.3
246.98045	17.9
365.56705	23.2
410.77914	16.2
519.41876	19.6
611.36908	21.4
611.46521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26870	6.5
55.00945	7.4
55.40667	7.3
56.42358	6.3
56.96559	73.8
77.62106	8.2
81.55492	8.2
96.32632	8.0
98.97559	71.4
99.82681	8.1
116.98584	42.5
118.49211	7.8
121.01398	8.7
131.00156	25.9
134.99683	10.0
140.00156	50.8
141.61674	10.1
149.01233	37.7
154.01778	34.9
158.01277	29.6
158.99669	30.7
172.02814	40.4
176.72037	8.8
177.00708	19.7
181.02881	29.3
195.04471	32.1
200.02258	63.6
214.04001	10.5
242.72047	9.0
275.04370	21.1
293.05402	25.0
316.07138	56.6
316.10263	10.3
317.17761	49.7
334.08118	15.5
335.19028	24.8
358.20563	100.0
367.48746	9.8
377.19986	31.2
388.79150	9.5
553.26978	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	81.4
64.34918	11.3
91.70957	23.7
97.99164	13.1
98.97559	85.7
112.99168	26.3
116.98639	55.1
128.98546	12.6
131.00169	48.3
134.99661	17.6
140.00145	75.0
149.01189	31.6
154.01787	47.8
158.01286	21.3
158.99641	21.9
172.02853	49.3
177.00740	30.5
181.02849	20.7
195.04434	37.6
200.02264	82.8
204.08977	14.4
209.01260	15.4
214.03967	15.0
249.63484	16.3
293.05505	40.4
316.06931	76.2
317.17822	93.0
317.83923	16.3
335.18842	17.6
358.20456	100.0
436.74344	16.9
553.26813	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
54.06174	6.3
54.18000	7.3
55.05495	28.7
57.03424	12.5
67.05499	65.1
69.07057	35.5
71.53181	7.3
79.05476	20.0
81.07035	58.6
83.08633	16.3
91.05466	38.8
93.07043	45.1
95.08605	56.3
95.89072	8.7
105.07026	36.2
107.08598	21.7
109.10146	20.9
117.07026	20.4
119.08563	66.7
121.10128	16.1
129.06995	10.2
131.08586	31.9
133.10124	25.5
143.08556	14.5
145.10100	46.6
147.18379	8.4
155.08578	8.8
157.10178	22.9
159.11707	19.0
161.13289	12.2
169.10204	15.5
171.11729	13.1
172.21700	10.9
173.13211	18.5
201.16327	10.1
205.50606	9.8
521.43921	13.8
595.46735	21.8
613.48242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17196	9.6
55.01854	9.5
55.05494	23.1
57.03435	11.7
58.93482	10.7
60.18373	8.4
67.05489	54.3
69.07056	28.7
71.08604	13.2
71.97580	10.6
73.60027	10.0
79.05494	22.8
81.07047	54.3
86.14842	11.9
91.05470	25.8
93.07041	37.9
95.08606	45.7
97.10166	15.8
98.77906	10.0
105.07023	47.0
119.08606	44.7
121.10152	22.7
131.08571	32.6
137.78165	12.0
145.10130	38.6
159.11729	15.4
173.13252	14.8
173.37917	12.9
187.14720	14.4
201.23901	14.2
219.16882	11.6
262.45343	13.2
271.62805	14.4
521.43378	16.4
613.47986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66518	3.1
55.88710	3.2
56.30696	3.3
56.96552	6.7
60.08156	7.1
70.96484	3.9
71.07355	4.9
86.09697	26.9
104.10734	100.0
109.26609	4.1
198.96928	6.6
216.97871	4.3
227.19717	4.6
315.16199	19.3
349.80939	4.3
356.19135	7.9
554.25580	15.8
614.27631	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61272	6.4
57.07050	13.5
59.12936	8.4
62.92604	9.1
64.08273	8.5
70.06582	39.5
88.07626	52.7
90.35928	7.9
102.09194	23.5
134.11916	10.4
149.02345	86.3
193.04959	86.9
241.06688	11.4
256.26343	92.5
341.06531	13.2
385.09125	52.0
614.33154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84767	4.1
65.11361	4.5
69.25597	4.7
70.06572	9.2
72.34787	4.7
74.85471	4.8
86.09699	7.1
140.23589	5.7
153.81046	5.8
225.77483	5.7
227.11821	8.9
255.11235	11.7
281.09201	8.9
299.10193	100.0
300.43222	6.2
597.21985	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25444	19.1
56.96555	61.7
59.16203	20.5
61.47804	18.9
63.72714	18.7
67.05483	25.4
67.73490	20.0
77.81988	22.4
81.06995	20.4
93.07018	29.2
98.97563	65.1
119.08595	30.8
131.00258	37.1
140.00256	30.4
145.10115	24.0
154.01779	31.6
175.82428	24.1
200.02258	59.1
288.93744	28.5
292.20493	30.5
316.07166	42.5
345.35727	28.7
360.22116	100.0
518.48145	30.6
555.28265	69.5
585.30408	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	35.5
57.07058	14.7
67.05486	52.2
69.07047	32.2
79.05482	31.9
81.07043	60.9
82.45226	11.4
83.08591	28.3
89.06003	33.8
91.05476	33.2
93.07036	38.5
95.08602	48.2
105.07027	30.2
107.08617	27.5
108.62419	10.7
109.10103	22.8
119.08613	35.5
121.10158	21.6
123.11706	12.2
130.08734	12.6
131.08609	18.6
133.08603	25.1
133.10132	27.6
145.10132	23.2
173.13226	13.7
250.98935	12.1
335.96851	16.7
524.58990	12.9
615.49677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97184	13.5
54.44513	13.6
55.05507	31.9
55.59069	16.7
57.07071	15.9
57.59123	12.1
67.05505	87.0
69.07054	43.7
70.44606	14.6
79.05484	25.3
81.07063	97.8
83.08613	27.0
89.06025	44.0
91.05471	45.6
93.07041	68.5
94.35382	15.2
95.08609	75.0
105.07021	52.0
107.08595	45.7
109.10188	48.2
119.08574	24.1
121.10161	27.4
121.39529	19.3
131.08566	18.0
133.08641	34.1
133.10150	19.2
135.18443	21.9
145.10068	23.2
149.13278	19.0
227.36208	20.2
259.16968	18.8
261.21994	21.9
261.70407	18.4
313.64099	22.1
324.53729	18.2
333.24121	21.8
370.09402	20.0
492.91266	19.9
615.49738	100.0
642.78400	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48132	1.1
55.83734	1.1
56.96575	3.4
60.08158	7.6
64.57480	1.2
64.65951	1.1
65.34536	1.2
66.31966	1.2
67.05486	1.3
71.07355	2.9
78.29267	1.6
81.07027	1.8
86.09697	12.7
104.10740	100.0
130.03648	1.4
154.94339	2.0
155.50703	1.6
198.96811	4.6
199.36037	1.5
221.98404	4.6
245.00027	3.9
278.01102	1.8
317.17749	8.5
358.20541	10.1
373.31839	1.6
391.11615	1.5
437.10339	1.8
497.19620	1.5
500.24503	4.7
556.27338	4.3
616.29541	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	1.5
56.96549	5.1
60.08153	8.7
63.10585	1.3
67.05512	1.6
71.07357	7.1
71.79820	1.4
74.16351	1.3
86.09698	28.4
91.99577	1.4
92.89035	1.3
93.07049	1.5
104.10735	100.0
122.57751	1.6
125.00008	2.8
154.94206	2.0
172.95164	3.2
180.95703	1.7
184.07321	2.7
195.96785	3.4
198.96808	8.8
210.37132	1.6
216.97926	3.0
221.98326	8.4
239.99518	3.6
240.09926	2.7
245.00024	3.0
274.70343	1.9
278.00940	2.4
317.17789	9.9
335.18896	2.9
358.20419	13.7
366.36093	1.7
411.15057	1.7
432.18277	1.7
497.19974	3.0
500.24246	6.7
556.26605	8.6
558.15680	1.7
616.28949	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.9
56.96559	6.1
60.08157	6.7
67.05491	2.5
69.54070	0.9
70.23505	0.9
71.07359	6.1
72.08144	1.8
81.07029	1.2
86.09703	26.3
88.41677	1.0
93.07007	1.2
93.33163	1.2
95.08608	1.9
97.99241	1.4
100.80043	1.0
104.10738	100.0
125.00047	1.6
137.02100	1.0
172.95229	2.6
177.06844	1.0
177.95731	1.2
184.07365	2.2
190.96295	1.3
195.96837	3.3
198.06407	1.2
198.96776	6.6
216.97824	3.5
218.98424	1.7
221.98415	5.6
239.99388	2.6
240.10114	1.6
244.99957	5.6
263.00964	1.9
290.79861	1.2
293.81329	1.2
317.17743	7.3
335.18881	3.9
358.20462	13.3
422.30804	1.3
494.19617	2.0
497.19617	2.5
500.24265	7.0
556.27185	11.2
616.29303	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83238	16.2
56.96561	45.7
73.65622	21.1
92.72314	20.9
93.07008	31.7
131.08545	20.4
228.58603	28.8
272.32938	26.1
312.30389	25.7
617.22626	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85865	10.6
76.42881	12.5
81.73039	10.7
108.08175	13.3
120.08081	24.8
161.82256	13.3
233.59828	13.0
261.08774	53.6
406.17648	77.1
408.19150	15.1
480.17709	100.0
589.26678	24.8
601.78839	15.0
617.26141	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31720	2.5
63.05127	2.5
71.29074	2.7
85.22429	3.2
89.18428	3.2
89.35975	3.1
93.07050	7.9
94.06564	10.1
95.07359	7.9
96.08156	14.2
108.08131	9.2
110.09676	27.0
120.08096	17.2
122.06030	4.5
136.07611	6.9
138.09132	100.0
148.16875	3.5
166.08664	5.5
203.55586	3.3
238.94774	3.4
257.09259	9.1
261.08765	15.9
317.11288	3.8
329.11380	10.5
452.18127	17.1
484.83496	3.6
571.25439	5.2
617.26233	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02146	1.3
51.37931	1.5
59.18771	1.6
70.06610	1.5
80.05022	1.5
81.07044	1.9
91.71092	2.3
94.06582	3.6
100.56651	1.5
105.07040	2.1
107.07307	9.3
108.08124	3.7
117.58443	1.6
118.70906	1.6
122.06082	1.7
122.09650	14.2
131.07343	4.8
131.76253	1.7
132.08170	2.1
134.09628	2.0
138.09181	2.9
146.09668	8.8
147.10376	2.1
150.09132	52.4
166.32600	1.7
174.09109	9.4
187.08698	2.1
192.10164	1.7
201.06720	3.8
202.07359	8.6
217.09659	10.8
220.09685	13.1
233.09232	2.8
257.09363	10.2
259.10782	2.2
261.08691	100.0
285.08710	12.5
287.10391	5.7
313.08264	15.0
330.16095	2.0
331.09207	25.1
368.73978	1.9
398.17050	12.6
406.17444	4.8
434.16873	10.2
452.18448	3.4
468.17548	8.9
480.17664	29.3
617.26178	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2606
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
55.08920	2.5
56.09670	2.5
58.05585	2.4
67.24620	3.3
70.06590	4.9
94.06522	6.1
94.81406	3.0
108.08117	7.3
110.07114	3.4
110.09702	3.6
120.08102	9.2
122.06020	4.4
122.09669	8.8
122.32156	3.8
131.07335	5.4
136.07526	5.3
138.09151	7.9
139.26476	3.6
146.09644	8.4
150.09126	22.1
174.09167	12.4
192.10233	5.0
194.24649	3.5
202.07416	11.9
217.09760	8.3
220.09744	10.0
242.22958	3.2
248.99855	3.6
257.09076	3.4
261.08679	100.0
285.08588	4.4
287.10373	7.7
289.27066	3.6
309.77557	3.3
313.08243	4.9
331.09174	7.8
398.17215	9.1
406.17355	6.4
434.17099	6.6
452.18195	10.4
480.17691	19.5
528.95111	4.2
589.26245	6.4
617.26447	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2604
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
75.08492	3.6
82.36695	3.6
107.07310	12.1
109.13445	4.8
122.09679	27.7
132.03229	5.3
150.09129	100.0
174.09146	5.5
192.10274	5.9
217.09642	4.8
220.09697	12.5
257.09311	14.6
261.08710	46.3
285.08743	23.2
313.08237	14.2
331.09247	36.1
468.17023	7.7
480.17609	45.8
617.25653	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2603
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
50.31874	3.1
55.69158	3.1
65.79102	3.9
77.51946	3.8
94.06594	4.7
107.07344	15.4
111.59415	4.9
120.08119	4.2
122.09671	49.1
138.09029	4.7
146.09712	6.2
150.09126	92.4
150.10246	5.4
164.07028	5.3
173.12938	5.4
174.09097	6.4
202.07372	18.3
217.09709	13.0
218.86693	4.9
220.09718	15.8
225.32497	4.4
243.56866	5.2
257.09323	16.9
259.10532	4.9
261.08670	100.0
285.08640	20.8
313.08276	12.4
331.09256	28.3
353.09436	4.9
468.17316	10.2
480.17621	54.1
599.28040	7.3
617.25867	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2598
Annotation	RP 66453
Peak:m/z	Relative Intensity
70.06591	7.0
85.17975	4.9
108.08163	5.4
115.03940	6.4
136.07643	6.9
150.09099	6.3
153.39183	6.0
171.10394	71.7
172.11191	11.6
202.12268	100.0
217.62862	5.6
223.12320	10.8
226.12276	6.7
241.13443	12.0
261.08716	9.0
269.12997	9.8
298.66968	6.4
442.03793	6.6
459.20465	6.8
480.17685	11.5
526.23419	16.2
571.25446	20.2
581.34973	6.6
589.26520	32.8
599.24994	95.7
617.26367	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	26.7
57.07063	18.6
61.63608	8.2
61.96500	9.2
67.05483	55.0
69.03403	14.0
69.07059	33.3
74.06184	9.0
76.43556	9.8
79.05482	30.9
81.07040	64.9
83.04963	30.1
91.05485	70.6
93.07036	71.6
95.04969	28.4
95.08594	38.6
97.06501	21.5
105.07027	100.0
107.08585	62.6
107.95783	10.5
109.06498	31.5
109.10133	28.1
110.22986	10.4
117.07002	25.6
119.08576	70.3
121.10127	93.5
123.08094	18.3
125.05967	20.8
129.06956	25.0
131.08568	48.8
133.10126	45.3
135.11697	21.4
137.09599	14.0
142.07811	20.0
143.08565	35.0
145.10094	54.0
147.08057	15.3
147.11684	14.9
149.09558	12.3
155.08531	13.0
157.10124	51.2
159.08015	13.7
159.11694	35.2
163.11165	20.6
165.09024	12.4
167.10622	63.7
169.10066	17.1
171.11646	23.0
173.13277	11.0
175.11177	15.7
181.10150	18.6
181.12283	26.0
182.10883	13.6
183.11667	14.1
193.10103	16.3
197.13249	19.6
199.14911	12.4
209.13202	20.6
215.14337	11.0
221.13228	15.7
221.15321	19.2
233.15393	27.9
280.93402	12.7
299.20056	11.5
405.53156	13.5
463.84012	10.6
472.74173	11.6
575.19019	12.2
625.23187	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10318	12.7
53.03952	14.6
55.05495	15.6
55.63836	12.7
57.07078	17.1
61.15178	18.4
67.05494	40.3
71.97183	15.8
72.15639	15.7
79.05473	15.1
81.07022	49.2
82.06149	17.2
91.05479	58.8
93.07027	62.6
95.08619	33.3
105.07026	79.1
107.08618	26.0
115.62362	16.7
117.07062	26.9
119.08602	64.7
121.10149	41.3
123.08052	37.5
133.10156	28.0
135.08047	28.4
137.09610	18.7
142.07832	22.5
143.08620	19.6
145.10143	45.1
147.08058	25.9
151.07640	26.6
156.09363	21.9
157.10130	38.0
159.11751	22.6
163.11259	22.7
165.09114	67.4
167.10683	44.2
169.10130	27.8
169.55447	18.0
180.71786	20.5
203.14223	21.7
221.15297	100.0
240.70984	21.3
261.93369	19.6
286.19165	35.5
406.88861	20.0
617.41913	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86999	20.9
55.05495	25.2
57.07048	34.5
59.49572	21.1
63.10502	23.0
67.05490	50.1
67.13345	21.9
68.11504	20.1
68.49013	25.3
69.07045	48.6
78.99800	22.2
81.07046	87.2
91.05478	32.3
93.07037	56.1
95.08586	61.6
107.08562	40.9
119.08562	33.9
160.83795	30.8
170.41847	25.2
318.03076	29.9
356.29761	30.9
471.79590	29.1
494.64175	30.9
617.51691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	32.4
57.07069	25.3
60.71970	24.0
67.05511	76.0
69.07070	41.8
79.05489	41.0
81.07078	100.0
83.08649	29.9
91.05500	28.6
93.07050	54.1
95.08611	72.9
100.65289	25.1
109.10178	44.5
111.72496	24.0
119.08555	35.6
129.37773	29.0
163.45396	26.5
168.04814	26.9
213.95193	24.8
253.28775	30.3
261.22238	32.7
291.99789	26.1
313.39682	29.8
340.12051	36.1
483.07660	28.8
616.95300	31.2
617.51416	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	7.0
65.64608	2.7
71.30475	3.3
72.26533	3.1
73.55961	2.7
76.27894	3.3
83.68568	3.3
86.09702	14.9
87.04475	3.6
91.71056	4.2
104.10738	100.0
109.95117	3.3
176.70305	3.5
184.07422	4.5
198.96812	4.3
221.98312	4.9
283.73004	4.1
360.22119	4.4
450.42117	4.6
558.28241	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.3
56.16853	0.8
56.96562	4.6
58.06615	1.4
60.08160	6.9
67.05498	1.3
69.61185	0.8
71.07371	5.4
74.49059	0.9
81.07057	1.7
86.09698	26.3
86.10194	1.7
87.94529	0.8
104.10740	100.0
109.10241	0.9
125.00055	1.1
138.05620	1.0
143.51694	1.0
148.65881	1.1
154.94200	1.7
172.95335	3.4
175.32782	1.1
184.07394	1.1
190.96283	1.7
193.02965	0.9
195.96919	2.8
198.96739	6.4
203.97444	1.5
212.16869	1.0
216.97981	4.0
218.98476	1.5
221.98352	7.4
239.99564	2.9
240.10048	1.9
244.99960	4.7
285.06320	1.2
319.19626	3.5
337.20715	3.5
360.22098	11.9
455.19556	1.2
461.48874	1.0
472.32950	1.1
473.19608	1.2
496.21326	2.7
499.21548	2.5
502.26291	6.1
526.11078	1.1
558.28400	7.4
618.30365	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89126	1.7
53.62373	1.5
53.82905	1.7
56.05008	1.6
57.03474	1.6
60.08166	8.5
62.65659	1.9
70.83618	1.6
71.07370	4.2
81.07066	3.1
86.09699	37.9
87.10051	1.9
89.23048	2.0
90.65089	1.9
104.10751	4.0
123.08096	1.9
124.99990	21.5
131.60904	1.9
184.07329	100.0
191.84830	2.0
217.13066	1.9
268.47644	2.1
354.78879	2.1
426.57034	2.3
487.53662	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	21.5
56.92498	14.1
67.05509	37.3
69.07081	22.5
71.72094	16.0
79.05519	25.0
81.07076	79.9
83.08594	22.5
91.05492	56.8
93.07059	86.4
95.04980	48.9
95.08635	57.7
101.15826	18.0
105.07037	100.0
107.08612	56.8
109.06551	19.3
109.10105	19.0
119.08582	97.9
121.10155	48.4
129.07057	21.5
131.08627	56.3
133.10167	59.9
139.11176	25.0
141.58351	21.0
143.08612	26.2
145.10120	93.9
147.11729	30.9
157.10187	48.8
158.85716	20.3
159.11736	50.5
163.11226	24.8
169.10208	27.8
173.13379	34.5
175.11266	24.9
183.11795	25.3
209.13310	25.9
250.38913	21.0
335.38910	23.6
401.96671	22.0
624.64307	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.6
55.05494	46.3
55.19182	7.5
60.56521	8.8
67.05490	39.6
69.03403	16.7
69.07059	10.9
79.05490	29.1
81.07065	57.2
83.04958	27.7
83.08615	56.3
85.06538	11.3
86.09719	14.3
91.05466	43.1
91.71123	10.7
93.07030	62.0
95.04967	41.7
95.08608	29.5
97.06532	17.6
103.55046	9.6
104.10758	19.1
105.07023	100.0
107.08591	63.0
109.06494	13.5
109.10152	28.6
117.07030	26.0
119.08576	69.3
121.10129	49.2
123.08025	14.5
131.08562	47.4
133.10097	47.5
135.08012	13.3
136.79306	9.5
139.11246	13.0
141.06981	12.5
142.07788	22.6
143.08543	40.5
145.10120	60.3
147.11681	16.2
149.09576	20.6
156.09299	15.3
157.10098	54.2
159.11687	30.2
160.08826	15.8
161.09691	12.3
167.10603	12.1
168.09427	11.8
169.10167	22.7
170.10925	14.2
171.11766	28.0
173.13228	18.4
181.12250	14.8
183.11682	26.6
193.10109	12.0
195.11705	16.1
197.13347	31.4
209.13268	18.9
211.14642	18.8
221.15361	14.0
223.14935	11.9
233.15387	22.5
255.17343	20.6
270.20016	17.9
394.30573	11.3
443.07672	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44805	56.7
55.41588	54.3
55.53533	52.4
56.52130	54.6
65.72183	50.1
71.26962	61.9
80.13097	53.5
80.40349	72.9
86.09727	100.0
131.00008	56.8
136.34073	66.4
137.37605	60.8
261.09149	74.8
336.08868	73.5
358.70206	74.1
374.73828	81.6
388.42371	70.2
472.31415	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2458
Annotation	Oxofangchirine
Peak:m/z	Relative Intensity
55.05535	9.1
56.96555	61.0
57.71837	7.4
58.66148	6.7
60.09257	7.1
67.05495	9.5
68.14277	7.7
84.96045	30.3
86.09724	14.2
91.71572	12.5
93.07076	9.0
98.97595	9.8
104.10815	9.6
125.00025	10.5
133.10182	10.4
140.00259	14.2
141.30768	9.3
184.07436	30.6
193.02779	11.1
224.02391	10.5
282.93338	11.0
286.26736	10.3
287.98697	14.9
305.99728	21.8
331.88501	11.4
352.56412	11.8
360.22177	34.0
619.24609	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39596	17.2
54.23875	16.4
54.37723	16.9
59.04048	17.3
80.97507	19.0
81.07028	21.1
103.86198	22.2
115.55312	22.1
147.15689	25.0
156.94888	22.6
178.32462	20.9
212.91051	21.8
251.66199	22.9
261.08749	100.0
313.08243	26.4
601.26221	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49097	0.9
51.10364	1.0
58.59745	1.0
60.87553	1.1
67.06004	1.3
91.71636	2.7
93.77126	1.4
94.06544	1.8
106.06528	2.6
107.07324	14.8
110.16380	1.3
122.06020	2.6
122.09659	100.0
124.11216	1.3
124.62277	1.2
134.83957	1.4
136.07581	4.4
147.94437	1.1
150.09148	13.3
151.17786	1.2
164.07047	8.2
177.06557	1.6
177.33385	1.3
181.09747	4.7
191.08170	4.5
202.08626	3.9
217.09782	1.7
230.08109	2.9
230.83997	1.5
235.10516	1.5
248.09169	2.1
261.08603	6.2
272.09332	2.0
293.13605	1.6
307.12964	3.7
398.16919	3.4
421.01147	1.3
428.21606	3.0
454.19418	1.8
456.21448	1.8
470.19153	6.0
496.48538	1.7
528.50739	1.5
573.26434	2.4
601.26617	3.1
619.27295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.3
55.29625	2.1
67.05490	12.4
69.07056	8.1
73.70602	2.3
79.05491	4.0
81.07046	15.4
82.06564	4.1
83.04970	4.8
83.08617	17.1
84.08112	2.7
85.06570	2.3
91.05467	4.5
91.31238	2.6
91.93540	2.8
93.07030	7.1
95.08609	14.9
100.07650	4.5
100.11256	62.6
105.07031	5.7
107.08562	4.4
109.06507	3.0
109.10142	5.7
111.04419	5.6
112.07584	3.1
119.08578	5.1
121.10082	4.3
128.07069	6.3
133.10172	3.2
139.08650	3.4
140.07146	2.8
147.11679	4.7
149.13255	5.3
176.30640	3.1
182.15382	19.1
182.16676	2.2
196.54312	2.6
209.16557	14.9
210.14903	12.3
226.19220	3.6
243.60460	2.9
246.27031	3.0
266.24744	24.9
375.30347	6.3
392.33090	4.9
492.41711	3.3
577.93219	3.3
601.46936	9.8
619.47876	100.0
620.49103	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10929	4.0
68.61261	4.3
70.06613	7.1
84.04527	20.2
88.04827	4.4
90.05581	16.4
91.20499	4.9
94.06545	5.3
102.05572	7.7
108.04484	7.7
119.07358	14.2
130.05061	6.3
146.05980	27.5
147.04414	14.2
147.06816	17.0
148.07597	15.0
150.05533	8.1
168.50223	5.4
174.05667	5.6
188.07155	5.4
199.08662	10.8
213.10268	17.9
214.11012	8.2
215.11819	11.7
226.10869	7.0
227.08255	7.5
227.11797	14.4
228.12465	7.0
229.09833	6.5
239.11720	9.1
241.13443	16.6
242.10495	11.3
243.11348	15.4
255.11211	25.3
262.07230	9.5
265.58353	6.1
269.12900	18.7
280.12048	6.3
297.12360	23.6
298.13226	19.8
315.13507	13.7
322.09207	100.0
444.17548	70.9
445.17908	7.0
482.25653	6.3
620.20734	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
56.05014	1.3
57.07082	1.0
60.08159	9.5
67.05475	0.9
69.03424	1.4
71.07352	4.7
71.72221	0.8
81.07027	0.9
86.09694	46.5
91.71114	0.9
94.72742	0.8
95.08569	0.8
98.98447	3.4
104.10739	2.8
124.99990	21.8
127.03412	0.9
140.92380	0.9
142.29591	0.8
147.11842	0.9
184.07335	100.0
539.90607	1.0
620.38910	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	98.3
58.83869	2.0
59.52308	1.8
67.05482	2.2
69.03409	2.6
70.14513	2.1
76.21432	2.2
81.57909	2.0
86.09709	4.6
87.04469	19.2
89.06024	100.0
91.05479	11.2
91.21468	2.2
91.71082	4.3
93.07043	8.2
95.04976	6.3
95.08585	3.2
105.04549	2.6
105.07024	3.1
107.08563	3.9
117.07051	3.3
118.07784	2.8
119.04962	5.4
119.08562	6.8
121.06498	37.1
124.99992	3.1
130.08627	23.7
131.07051	8.6
133.08601	76.0
135.08060	4.0
137.09695	2.3
147.08064	16.4
148.64114	2.3
149.09628	6.5
150.06815	6.2
165.09074	17.8
177.11243	22.9
184.07346	9.3
185.07655	4.1
191.10667	3.5
209.11752	6.9
211.13290	2.9
219.12413	2.9
221.13890	5.5
233.19000	23.5
245.11427	2.6
277.21585	30.8
288.48810	3.1
321.24265	11.5
378.38046	3.5
491.28482	5.6
603.41162	14.4
620.43463	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37001	38.2
69.38466	32.5
70.06584	100.0
86.09695	67.3
91.38483	38.8
150.09236	42.2
156.41867	38.0
166.47343	45.7
184.07361	66.6
194.84117	42.8
205.95418	36.3
261.08728	51.6
274.80023	41.9
559.25092	72.5
563.64240	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01439	5.6
53.72335	5.6
67.05479	5.7
68.28773	6.6
70.06569	9.1
85.09229	9.1
102.08358	6.7
109.51122	6.7
142.44870	7.2
168.01585	8.0
178.08640	9.0
254.87994	7.8
261.08643	44.1
269.09216	9.1
287.10397	26.7
302.12891	8.9
313.13406	8.3
361.04581	8.9
361.14120	9.9
374.37198	7.8
390.14392	9.1
394.17465	12.7
398.17059	8.7
405.12402	10.7
407.14896	19.9
413.76498	9.3
420.15350	37.3
422.16916	96.6
437.12085	35.1
451.13647	28.5
466.16010	46.0
526.73846	8.8
559.25494	100.0
603.24072	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53690	34.7
52.67292	32.2
61.19240	37.3
65.32984	33.8
84.46466	35.4
91.78623	34.3
107.86669	39.0
120.94070	40.3
121.61693	48.3
134.50964	43.9
149.55190	42.8
212.26573	47.9
250.60614	52.1
355.78555	49.9
362.32886	45.1
398.13379	57.0
466.15497	52.8
484.16769	100.0
591.15875	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
79.80668	3.5
110.70136	3.2
122.06042	5.1
130.06644	3.6
188.30951	3.1
200.09433	4.4
202.07365	8.2
217.09720	14.3
229.13373	5.5
233.09175	5.2
241.09779	6.1
242.10411	3.4
244.36021	3.5
257.09137	36.5
257.12894	4.7
261.08682	67.6
273.12335	10.3
285.08740	41.3
287.10229	35.3
301.11798	100.0
313.08127	27.4
331.09207	23.4
394.17804	4.2
398.17114	15.0
422.17117	35.8
424.18835	5.8
438.20285	13.3
440.18054	10.8
468.17572	11.5
484.16724	5.5
559.25494	37.7
577.26733	17.2
621.25299	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76448	6.9
60.09037	6.3
62.19687	8.3
71.54723	6.2
84.04502	7.5
84.10210	8.3
86.09692	6.7
87.59546	7.2
90.53223	7.4
122.05956	9.2
125.48169	7.3
142.93425	7.4
166.37257	6.8
173.86984	8.4
217.09689	12.1
233.09103	8.2
257.09277	30.7
261.08649	77.5
273.12396	11.6
277.24323	8.7
285.08713	41.4
287.10358	29.8
299.09818	8.4
301.11829	100.0
313.08252	32.3
331.09232	30.9
398.17023	14.4
422.17142	42.8
438.20157	19.1
440.18347	10.9
441.17654	9.7
468.17355	16.2
559.25494	26.0
616.06592	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24738	7.1
55.05490	8.6
57.03429	8.3
57.07052	11.0
60.02138	8.0
66.64632	7.2
67.05486	22.0
71.08600	11.8
79.05457	8.1
81.07069	21.6
83.08615	10.8
91.05457	12.2
93.07008	10.6
95.08630	8.5
98.98479	14.9
109.10143	14.3
155.01051	13.5
157.24194	8.1
169.36890	9.1
211.13307	40.0
235.46202	9.0
256.42841	10.4
313.27390	21.3
365.13919	11.2
445.20245	17.4
447.21313	11.9
475.21414	26.1
521.26563	10.3
533.25189	11.0
561.24811	100.0
613.17529	12.1
621.27124	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	16.4
67.05492	37.2
69.07040	10.0
71.08641	8.3
74.76660	6.8
79.05495	7.0
81.07067	17.3
83.08613	11.2
91.05462	10.0
93.06972	11.2
93.15653	7.3
95.08569	14.4
98.98470	19.8
107.08517	8.7
109.10148	17.2
121.73763	7.0
155.01010	11.7
158.49876	6.2
168.62219	8.6
211.13303	27.8
223.97179	7.8
252.79906	7.7
313.27365	14.8
383.14590	15.3
405.20474	8.7
419.22519	9.2
533.25409	11.8
561.24646	24.6
621.27216	100.0
621.38037	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14793	11.8
55.05484	16.3
57.06827	13.8
57.07065	100.0
67.05496	16.8
73.42140	15.9
74.94745	13.9
83.04974	16.2
85.76287	14.2
91.71680	38.5
109.10185	19.2
122.23444	17.5
128.06230	17.2
129.36609	17.0
141.07042	15.4
147.02060	29.1
147.11726	27.0
206.20358	18.2
223.05153	58.3
241.71941	18.7
279.11560	21.4
313.27466	20.9
390.66599	21.4
509.18521	51.6
621.30957	29.2
621.40240	28.4
624.79254	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	4.3
55.01874	12.3
55.05508	31.5
55.20747	3.7
57.03436	8.9
57.07067	29.4
65.97028	3.7
67.05499	34.5
69.07075	18.7
71.08627	22.8
79.05500	20.6
81.03409	6.9
81.07047	100.0
83.04974	12.1
83.08627	21.4
83.13683	4.4
85.02901	6.9
85.10189	7.1
91.05494	18.5
93.07070	20.5
95.04985	15.0
95.08605	35.1
97.10198	17.6
105.07070	9.2
107.05009	6.1
107.08636	17.6
109.06546	6.5
109.10194	21.3
111.04416	22.3
116.91685	5.3
117.07137	5.3
119.08625	18.5
121.10157	10.2
123.08047	26.9
125.09679	10.9
129.07011	7.2
131.08563	5.9
135.11678	8.1
138.73650	4.5
145.10191	7.8
147.08110	7.9
150.72377	5.5
153.12778	10.9
157.39526	5.3
163.11285	13.8
165.09161	4.7
181.12305	8.7
189.11325	9.1
191.10670	7.0
192.10161	5.2
227.12924	8.9
253.63235	7.3
263.30161	4.8
273.18591	18.9
291.19424	41.4
313.27371	37.2
365.23495	17.6
603.46179	18.5
621.47504	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.1
55.05503	16.1
57.07062	20.1
58.07972	5.1
66.41363	5.5
67.05492	28.1
69.07030	12.0
71.08617	11.8
79.05478	29.8
81.07047	100.0
83.04955	8.8
83.08605	17.7
84.92762	5.9
88.28005	6.1
88.90470	5.7
91.05465	17.8
93.07034	15.4
95.04931	12.0
95.08601	14.8
97.10117	7.0
105.07047	14.7
109.06510	49.9
109.10153	19.2
111.04475	9.7
116.06248	6.0
117.07034	9.5
119.08578	21.9
121.06503	16.4
121.10155	7.8
123.08093	7.4
140.77011	5.9
145.10155	15.2
147.08035	9.8
161.09604	13.1
163.11160	9.7
189.11353	10.7
195.70827	7.0
273.18582	20.7
291.19485	62.4
313.27386	33.9
603.45819	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	29.2
57.03445	10.6
57.07061	35.5
66.26797	5.0
67.05499	43.2
69.07058	11.7
69.58929	5.7
71.08640	24.1
79.05500	11.9
79.91869	5.8
81.03423	11.6
81.07044	100.0
81.07469	8.7
83.04986	15.1
83.08633	17.1
83.66594	6.4
85.10202	14.9
91.05494	18.6
93.07080	18.1
95.05002	15.5
95.08584	32.4
97.10188	16.1
105.07040	13.3
109.10174	19.7
111.04488	15.0
119.08596	14.7
121.06557	9.8
121.10223	10.4
123.08073	14.9
125.09658	12.7
131.08589	8.6
135.11684	7.5
145.10170	10.6
151.07375	5.9
153.12775	8.6
165.09193	6.5
176.97495	5.9
181.12253	10.0
189.11288	6.4
224.42044	7.0
227.12865	14.6
234.99246	6.4
251.30247	5.8
254.56133	6.0
273.18622	17.7
277.53690	6.5
278.98892	7.2
291.19354	39.0
313.27322	42.6
365.23492	8.2
572.01044	7.2
593.45972	7.1
621.47473	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	1.5
60.08150	10.0
64.57178	0.9
68.44389	1.0
69.57135	0.9
71.07391	4.0
76.61561	1.0
81.07093	1.2
86.09695	40.0
86.10191	2.2
104.10773	3.4
119.42611	1.1
124.99990	20.9
125.00817	1.5
149.09355	1.1
169.20724	1.1
184.07327	100.0
190.78441	1.2
268.86700	1.4
336.81699	1.3
446.81256	1.4
598.46893	1.1
622.40613	6.7
650.40118	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25414	1.7
58.58143	1.6
60.08160	9.6
65.90921	1.8
71.07388	5.3
81.07061	2.0
86.09695	45.8
86.10194	2.7
91.70970	3.3
93.28900	2.0
98.98532	2.6
104.10744	5.0
124.80565	2.1
124.99991	21.9
132.38693	2.4
156.07373	2.4
184.07315	100.0
372.39511	2.4
397.26364	2.7
622.40753	7.8
641.25677	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65293	0.8
56.05019	1.2
58.90641	0.7
60.07887	1.1
60.08158	10.0
67.05512	0.9
71.07365	5.3
71.08589	0.9
81.07027	1.0
86.09702	43.1
98.98459	3.4
104.10736	3.4
120.73846	1.0
125.00003	22.8
131.45348	0.8
166.02777	1.1
184.07338	100.0
185.07718	1.2
191.25316	0.9
290.40601	1.1
400.60962	1.2
464.39969	1.1
622.40668	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.0
57.07066	2.0
58.25952	0.8
60.08157	10.9
61.78171	0.7
67.05476	0.7
71.07364	4.1
71.08610	1.0
72.04502	2.3
74.94364	0.7
81.07038	1.0
86.09696	41.1
91.71632	1.5
92.68031	0.7
93.07037	0.8
98.98471	2.7
104.10719	2.6
112.56181	0.7
123.23134	0.9
124.99994	21.3
184.07329	100.0
310.30951	0.9
622.44421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76374	4.4
66.82000	4.5
67.05482	6.8
81.06987	6.0
91.05444	7.8
93.07030	22.6
94.06554	25.1
95.07341	13.6
96.08122	27.2
97.06509	7.8
108.08115	58.3
110.09669	62.6
113.38732	4.8
120.08083	42.3
136.07584	11.0
138.09145	100.0
148.07552	8.7
158.09515	6.9
162.09178	8.7
166.08653	38.8
196.58727	6.3
211.08669	6.8
213.10324	7.0
216.08876	9.4
231.11249	14.4
233.09319	6.8
245.12737	6.3
259.10812	14.9
271.10803	19.7
275.10165	39.0
277.11832	33.3
303.09692	44.0
378.18317	9.8
396.19153	45.2
406.17172	8.3
424.18793	16.2
440.18091	99.3
442.19235	11.8
460.20786	6.9
468.17609	54.3
577.26422	32.5
585.07208	6.1
605.25928	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71131	23.4
52.89381	27.0
55.05491	46.4
57.07060	74.4
67.05448	31.9
71.08619	79.5
76.10347	31.6
81.07047	100.0
83.08617	60.5
91.05467	31.1
93.07037	60.9
95.04975	34.4
95.08566	43.1
97.10165	38.6
105.07014	37.9
108.61318	31.5
121.10208	31.4
261.39883	30.8
275.19876	36.4
293.21164	73.1
313.27341	63.6
336.58450	39.0
367.24799	63.8
394.61154	35.1
434.52350	38.4
472.29388	34.1
531.24194	35.5
605.47247	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27188	25.5
50.75771	22.3
55.05500	35.9
57.03447	28.1
57.07057	77.1
58.16206	23.6
59.20596	29.3
67.56614	27.0
69.07057	44.6
69.32000	24.9
71.08611	69.5
73.00364	25.1
81.07051	75.9
83.08617	26.9
93.07008	60.1
93.36934	31.4
95.04949	54.7
95.08610	39.2
103.91694	24.2
105.07015	28.9
119.08619	29.5
135.47893	32.6
149.09615	51.3
159.90259	28.4
163.11203	56.1
176.06445	29.9
179.71487	31.8
179.99060	31.8
249.18790	37.5
269.84497	28.0
275.20026	90.1
278.52850	35.0
293.21402	37.6
313.27304	100.0
605.47797	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23204	13.8
55.05494	39.7
57.03432	29.5
57.07058	68.6
67.05480	85.2
69.07058	36.0
71.08612	100.0
79.05515	22.3
81.03407	32.0
81.07055	62.5
83.08614	47.8
85.10176	31.7
86.62080	17.6
87.03092	18.6
91.05472	17.0
93.07033	29.0
95.04989	27.6
95.08592	76.5
105.07009	20.6
109.10130	31.2
119.08559	23.9
138.52466	18.8
149.83841	18.7
165.75754	18.0
269.94934	20.8
293.21066	62.8
313.27386	73.6
447.13367	23.9
523.40082	39.9
579.81604	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	45.9
55.83443	11.3
57.03428	23.1
57.07056	58.8
57.26809	10.4
67.05495	100.0
69.07065	30.3
70.48756	9.7
71.08618	88.6
79.05453	17.0
81.03391	17.2
81.07044	61.8
83.04948	19.1
83.08636	31.8
85.10194	18.4
86.09669	17.5
93.07032	28.0
95.04936	16.7
95.08588	60.3
97.10142	21.2
99.08074	21.9
107.08617	18.3
109.10159	50.3
111.08098	13.8
115.64705	13.2
121.10251	11.6
121.32867	12.9
138.63634	14.9
139.11171	25.7
142.27640	13.2
151.11171	27.3
159.11580	12.1
165.12807	14.6
173.11751	14.9
179.10680	12.9
184.07381	18.4
185.43797	14.4
213.93590	13.7
275.20065	14.0
293.21158	49.6
313.27319	62.6
467.37643	24.2
505.26602	15.4
623.40027	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48341	0.3
53.81434	0.3
60.08071	0.3
61.02906	0.4
69.03400	0.9
71.07140	0.3
82.77670	0.5
85.02902	3.7
91.05471	4.9
97.02871	1.5
109.02774	0.4
112.43055	0.4
119.04935	15.3
128.10916	0.4
136.61259	0.4
145.04919	0.6
147.04402	100.0
148.03511	0.3
148.04723	1.6
283.08066	0.9
358.02228	0.4
377.68033	0.4
450.84222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.9
57.07054	32.4
67.05494	20.3
69.07037	10.0
71.08605	15.9
73.68031	7.4
80.53804	7.5
81.07054	15.0
83.08613	20.7
85.10171	8.7
88.58907	7.2
91.18993	8.0
95.08613	12.5
97.10156	31.8
107.09302	7.9
117.95216	8.3
125.09642	27.0
180.40469	9.1
189.11180	12.1
215.16541	8.4
215.50316	8.7
215.52274	11.3
227.12874	9.4
235.11664	9.7
247.84636	8.0
251.02286	7.4
313.91647	10.6
314.80582	8.8
388.92334	8.9
400.83456	9.6
483.36673	100.0
536.94800	10.2
573.12738	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	7.6
71.07362	3.5
76.27737	1.9
80.07199	1.7
86.09697	44.6
86.82126	2.0
98.98468	3.4
104.10733	4.0
111.96600	1.8
125.00010	22.5
148.61288	2.2
160.28755	2.1
181.28433	2.4
184.07333	100.0
184.62602	2.0
220.30911	2.3
226.60811	2.2
233.78801	2.0
344.78717	2.4
440.11688	2.3
624.38849	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45713	1.0
56.69613	1.1
58.57416	1.2
60.08155	9.7
67.05499	1.6
70.88004	1.1
71.07373	3.7
80.43188	1.1
86.09175	2.4
86.09699	47.5
93.46867	1.2
96.59391	1.1
98.18462	1.2
98.98458	2.6
104.10757	3.3
114.78377	1.4
124.99995	21.0
184.07330	100.0
195.47646	1.1
279.41550	1.5
313.35928	1.3
463.88144	1.4
497.01660	1.3
546.29529	1.4
624.42194	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	29.7
57.07071	38.3
60.28669	21.0
61.19517	23.4
62.19510	21.7
67.05495	50.4
71.08634	20.3
79.05492	35.7
79.65490	20.3
79.69410	23.1
81.07079	68.8
91.05497	55.4
93.07097	29.4
95.08611	55.2
101.27654	25.6
105.07035	54.7
107.08662	29.5
112.46577	26.4
113.22614	23.0
119.08599	63.2
133.10210	28.8
147.11676	31.8
157.88887	22.3
161.13255	28.7
166.93930	26.7
170.89514	33.0
241.19650	30.2
259.20563	39.2
279.64114	27.5
313.27466	100.0
496.38507	33.3
499.80066	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59251	3.3
77.08883	4.0
91.71023	7.8
111.04186	7.5
137.23602	3.8
155.06734	5.4
174.30051	5.2
273.00562	4.9
290.31610	4.7
389.46271	5.1
398.42047	4.6
612.40094	4.9
625.29797	7.6
625.39215	100.0
626.39496	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93099	9.0
54.08846	7.7
55.05505	26.7
57.03450	13.3
57.07076	57.7
62.53345	7.5
63.16812	9.0
67.05513	46.3
69.07073	24.8
69.85749	8.1
71.08646	36.3
76.93291	8.8
79.05506	27.3
81.03416	9.0
81.07053	67.2
81.84814	8.9
83.04987	8.6
83.08617	22.8
85.10191	43.0
91.05487	19.3
93.07061	11.6
95.05056	11.7
95.08623	41.5
95.33478	8.8
97.10142	10.4
101.43215	9.1
102.96205	9.3
105.07050	17.8
107.08672	11.6
109.10166	21.5
111.80801	10.4
113.09657	29.1
147.11769	10.3
153.82886	9.6
165.12811	44.1
179.24091	10.5
266.23798	11.6
277.21768	38.7
277.41357	11.1
295.22629	100.0
313.27267	60.4
369.26624	12.8
467.12787	11.8
565.56018	11.0
580.22015	12.2
607.49298	30.3
626.63519	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	19.8
69.07056	13.7
81.03410	15.4
81.07061	11.0
85.02882	42.4
91.05467	14.7
93.07025	32.4
95.47089	9.0
97.02856	9.5
99.04403	8.3
105.07015	18.8
107.08590	23.8
109.10173	11.7
117.06968	9.8
119.08590	27.4
121.10170	11.3
126.13760	9.9
127.03941	22.6
131.08594	12.8
133.10139	17.9
145.04929	13.3
145.10091	19.5
147.11676	12.3
157.10188	17.3
159.11656	21.6
163.02289	11.0
171.11650	26.8
173.13264	41.8
197.13295	19.4
204.36542	9.3
209.13303	11.2
211.14857	14.8
223.14894	11.8
228.75456	11.0
325.21509	100.0
343.22778	24.0
591.28644	12.2
651.04620	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46872	6.2
53.03921	7.6
55.01855	12.3
55.05505	63.9
57.07060	12.7
57.83801	8.2
58.42393	6.4
61.60403	7.1
65.03933	13.8
65.97161	7.2
67.05495	100.0
69.03397	7.5
69.07053	41.3
71.04972	11.8
71.08618	21.3
71.12009	7.7
79.05481	56.2
79.05869	7.9
80.11460	8.5
81.07047	97.2
83.04996	10.9
83.08609	24.6
89.05981	9.6
91.05471	51.5
93.07034	70.8
95.04953	18.8
95.08578	54.9
97.10148	38.4
97.63413	8.4
99.08106	10.8
105.07002	57.4
107.08578	52.2
108.00485	7.8
109.06550	8.9
109.10167	33.5
111.08109	13.0
117.07014	26.2
119.08559	35.1
121.06560	9.6
121.10144	22.2
125.09644	20.8
129.07005	9.3
131.08560	32.3
133.10146	27.6
135.11736	19.4
143.08533	13.6
145.10153	32.5
147.11713	14.3
157.10190	17.0
159.11642	10.1
161.09634	11.2
161.13286	14.5
171.11656	10.6
175.14919	10.2
185.13138	14.2
187.14876	14.5
189.11296	11.2
213.16383	11.4
227.12827	17.0
255.96510	9.2
266.72702	9.5
275.19949	10.3
293.21109	26.5
317.24960	10.5
362.40439	11.7
383.32986	14.6
522.28296	11.8
527.37372	23.6
609.44946	21.1
627.45819	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72047	6.0
53.00301	10.6
53.58600	6.1
55.01874	6.9
55.05504	44.3
55.05719	5.5
57.03425	16.1
57.07066	11.6
66.41766	6.8
67.05493	94.0
69.07051	34.8
71.04963	10.1
71.08624	86.1
79.05479	72.4
81.03383	9.0
81.07056	100.0
83.08627	17.1
91.05473	68.2
91.71693	15.6
93.07038	83.5
95.04944	20.4
95.08617	64.4
97.06554	15.5
99.08089	50.7
101.01629	9.9
105.07023	69.8
107.08625	49.4
109.06564	7.1
109.10107	15.3
117.07053	18.9
119.08580	54.5
121.10143	28.0
129.07001	24.7
131.08607	33.4
133.10158	41.6
135.11726	29.6
143.08540	20.1
143.11604	7.5
145.10158	27.2
147.08109	9.2
147.11711	30.6
151.11192	14.7
155.08569	10.2
157.10161	16.6
159.11678	20.1
161.13255	23.7
169.10193	17.1
171.11745	28.5
173.11781	12.0
173.13206	15.4
174.95557	7.8
175.14835	8.7
179.14305	46.4
179.43457	7.7
183.11681	15.4
185.13231	10.7
187.14879	11.0
205.74025	9.1
216.50296	7.9
230.28513	7.8
232.99646	7.9
241.19498	23.8
259.20523	23.3
277.21683	39.2
278.94540	7.9
333.24249	35.8
351.25308	31.3
609.45007	31.6
627.46002	44.4
655.98346	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.8
53.03921	1.2
69.03419	100.0
70.06580	0.9
81.03408	2.4
81.25507	0.7
85.02888	3.9
86.09711	1.5
87.00810	1.4
87.04460	31.9
96.91715	0.7
97.02896	1.8
97.39223	0.8
105.05504	7.6
109.02872	1.5
127.03933	1.8
128.07114	2.4
155.07027	15.1
156.85529	0.7
159.02979	0.8
173.08119	10.3
191.09114	8.5
191.10451	0.8
241.10815	2.9
258.67392	0.7
259.11728	13.4
269.59399	0.8
277.12756	12.3
277.15369	0.8
292.27167	0.8
345.15518	2.6
363.16733	2.3
606.46527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78400	9.2
63.92049	8.0
69.31326	9.6
70.71681	11.6
75.75985	9.2
80.64404	12.1
95.19552	8.9
97.77347	9.6
155.49657	11.1
165.73685	12.1
166.80104	11.8
202.27820	11.9
233.31734	13.2
473.27155	14.0
513.90802	13.7
589.42145	13.9
629.47412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63177	10.5
53.03944	13.3
55.05499	38.2
57.03413	14.4
57.07064	24.8
67.05491	100.0
67.70123	11.7
69.03933	12.7
69.07050	28.7
69.15865	12.4
71.08624	17.3
79.05492	48.6
79.92413	12.4
81.07056	84.4
83.08602	22.5
85.10178	29.9
89.06018	55.1
91.05475	52.7
93.07040	45.2
95.04972	24.2
95.08600	48.4
97.06490	11.7
99.75637	12.7
105.07029	52.2
107.08579	26.8
109.10164	38.9
113.09631	15.0
116.71013	14.1
119.08567	28.7
130.08646	24.3
131.08603	21.8
133.08604	37.5
135.11705	21.8
157.10143	18.2
159.11778	20.9
165.12764	16.2
217.07639	17.2
221.59563	14.5
246.73029	15.2
277.21622	25.1
279.40091	14.6
322.35440	19.6
335.25415	19.3
501.35895	21.8
629.47571	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	9.0
55.05495	34.4
56.49677	8.8
57.07061	11.5
57.11454	7.8
67.05490	100.0
68.40411	8.2
68.66927	9.3
69.07069	23.1
71.08631	11.1
72.56625	8.4
75.17971	10.7
79.05479	25.0
80.25785	9.0
81.07047	75.9
83.08610	18.5
91.05471	27.3
91.71072	19.6
93.07013	30.2
95.04974	34.2
95.08582	49.4
105.07047	24.1
105.78123	11.1
107.04958	12.6
107.08594	33.5
109.10165	14.6
117.84598	9.3
118.69062	13.9
121.10101	12.3
132.35892	9.8
149.09596	17.9
156.96364	11.9
161.30292	9.5
163.11209	20.2
245.83916	12.4
275.20163	14.9
293.21164	13.8
319.23367	11.2
373.48019	11.6
629.47766	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	8.9
55.05495	28.4
57.03393	8.3
57.07061	9.7
58.78740	7.7
63.40276	10.1
67.05488	96.1
69.07045	17.8
69.61160	8.4
71.08625	60.7
77.52701	10.8
79.05482	46.5
81.03398	8.9
81.07043	85.5
83.08578	13.2
83.57352	8.7
89.06023	29.7
91.05476	47.5
91.71034	23.3
92.04332	11.1
93.07040	100.0
95.04941	14.1
95.08598	76.3
97.10135	9.7
99.08099	30.7
104.48005	9.8
105.07049	28.8
107.08598	37.3
109.10120	17.5
117.06998	16.5
119.08604	26.1
121.10131	36.7
131.08542	22.6
133.10124	25.7
135.11696	41.7
147.11713	17.7
149.13245	16.8
152.49255	13.2
157.10007	10.7
161.13309	12.8
179.14311	54.7
185.50017	9.9
224.09845	12.1
239.67119	12.3
277.21594	37.5
277.98068	12.7
316.79153	11.1
326.00140	11.0
335.25812	29.5
351.25027	27.4
611.46643	37.5
629.48004	14.9
631.13629	12.8
646.86884	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.9
53.93227	7.5
55.05492	40.7
55.26070	7.9
57.03411	8.0
57.07059	32.6
58.06583	37.7
59.76994	8.6
60.08144	17.1
67.05492	86.8
69.07043	29.8
71.08621	38.9
73.33736	8.7
75.63988	10.5
79.05486	37.4
81.07041	100.0
83.04966	16.3
83.08598	24.1
85.10154	12.7
86.55203	10.4
89.06012	32.9
91.05470	44.9
91.70986	16.7
93.07039	65.8
94.09061	9.3
95.08604	61.2
95.72194	8.6
97.10154	12.0
99.08091	18.3
105.07011	36.9
107.04968	10.7
107.08599	25.4
109.10147	40.1
117.06976	16.0
119.08579	32.8
121.10144	20.0
122.49488	9.9
123.11739	13.2
130.08551	15.1
131.08557	20.1
133.08601	20.9
133.10133	28.1
135.11641	17.7
140.20636	9.6
143.08600	12.6
144.10161	13.0
145.10153	21.3
150.85742	11.4
161.13341	14.1
168.68896	11.2
213.16711	10.2
236.14957	30.8
237.15118	12.5
285.34082	11.2
391.57913	11.1
430.48663	11.3
450.79538	12.5
591.25751	11.3
611.46271	22.4
629.48401	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	46.4
57.07054	20.7
67.05487	100.0
69.07064	24.4
71.08627	19.6
72.87801	13.6
73.08041	16.3
79.05486	34.6
81.07034	75.2
82.95304	14.6
85.35124	17.3
89.06032	38.5
91.05481	44.1
93.07047	62.6
95.08596	82.2
105.07011	41.9
107.08593	26.5
109.10159	34.9
117.07023	20.1
131.08629	24.4
133.08594	30.4
145.10109	26.4
209.11334	17.9
281.97229	21.4
353.23392	22.2
425.71286	19.8
441.72232	23.1
629.48083	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	17.1
62.82972	11.0
70.06586	37.8
72.73425	10.7
81.58083	11.1
88.07654	41.7
102.09213	41.8
110.05199	13.6
149.02400	46.7
193.05023	61.2
228.23184	73.2
237.07652	25.0
337.91452	15.2
371.93198	14.4
385.09381	18.7
429.12012	37.1
554.79584	16.1
630.32611	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49115	21.8
60.57818	22.6
96.08145	39.5
106.99327	23.9
114.50874	26.3
119.52064	27.4
120.08110	40.7
136.07620	48.8
138.09143	34.0
146.06038	43.6
148.07635	52.6
166.08701	93.8
166.37120	30.6
190.04996	53.4
211.08409	30.3
267.11334	47.0
281.12769	28.1
285.12296	37.0
297.12418	50.5
299.13907	39.2
313.12308	28.5
464.22015	100.0
490.19910	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30198	8.8
55.05510	11.0
57.03431	26.3
61.02919	91.3
62.19093	11.2
67.05496	35.3
67.32703	10.7
69.03409	48.5
71.04972	13.9
72.44716	10.8
73.02894	28.6
73.75809	10.0
76.31566	10.7
76.59843	12.9
79.05489	26.3
81.03412	30.2
81.07050	41.1
85.02881	100.0
90.32336	10.4
91.03938	47.6
91.05473	39.1
93.07027	54.3
95.08573	26.6
97.02886	76.4
103.85771	11.5
105.07034	20.4
105.47572	11.3
109.02851	18.2
109.10145	12.1
116.93216	12.3
117.07011	12.1
119.08551	21.4
121.10149	37.3
125.36584	10.6
127.03937	37.1
133.10109	22.4
135.11690	28.4
145.04941	27.3
145.10109	16.8
307.22736	48.9
313.29300	13.0
361.55902	14.0
465.59665	13.7
598.89838	14.9
631.37439	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	22.1
55.05495	49.1
57.03432	12.7
57.07071	11.0
61.59102	9.7
67.05501	100.0
69.07052	47.7
71.08622	33.3
75.05594	10.3
79.05487	65.4
81.07050	85.0
83.04993	16.9
83.08593	40.3
85.87016	14.2
91.05479	48.5
93.07026	75.6
95.08573	85.7
97.10167	19.5
97.45988	11.6
99.08044	12.1
100.44510	13.4
105.07043	31.1
107.08576	58.6
109.10146	43.1
111.86379	11.6
119.08571	42.5
121.10156	37.2
129.94417	11.9
131.08566	16.9
133.10138	20.5
135.11667	29.5
143.31114	12.9
149.13245	26.6
153.12714	13.6
161.13187	12.5
179.14346	43.6
187.77361	15.2
224.17403	13.6
261.22177	20.7
274.15906	12.5
277.21667	24.2
335.25845	29.8
337.27271	16.3
349.97708	14.3
351.25287	19.6
469.49323	15.0
613.48334	53.8
629.99103	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	21.7
56.53548	9.8
57.03418	26.0
67.05504	68.5
69.07054	29.0
69.99564	10.3
71.04993	62.0
79.05450	12.0
81.07057	74.5
83.08619	22.1
91.05467	17.2
93.07039	17.6
95.08604	48.4
97.06583	12.9
99.04459	16.0
109.10143	13.0
119.08560	13.1
121.10128	23.0
128.12135	11.1
173.08134	38.1
253.51253	12.3
271.56372	15.1
337.27414	100.0
338.45648	13.2
435.31119	37.5
455.40167	13.7
632.11072	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69862	3.1
57.48453	2.7
59.20001	2.8
70.06595	4.5
72.08147	100.0
91.05460	4.5
91.71027	4.0
94.56771	3.6
97.06532	5.4
105.07023	9.2
120.08109	13.2
125.09547	4.6
130.07416	4.9
141.28990	3.1
153.09006	13.3
188.14310	19.6
208.75835	4.2
216.15004	13.3
244.14423	52.7
273.76318	4.9
286.22729	20.7
314.22226	79.3
373.29636	66.4
466.60944	4.4
501.07022	4.4
585.56921	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72025	4.5
60.07906	5.0
60.08157	72.6
63.60721	4.4
68.78491	4.0
72.08121	4.5
75.64307	5.7
86.09711	13.7
88.23259	4.6
130.06529	10.8
142.70702	5.3
146.05933	6.8
159.09189	15.2
185.07118	11.3
188.07037	6.6
287.23178	36.3
346.21231	100.0
396.72299	5.7
459.08212	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49633	4.0
52.83796	4.7
61.57771	4.2
111.47498	6.1
162.05511	11.7
174.49303	5.4
184.04680	5.7
217.09802	15.1
220.09709	15.4
231.11375	12.3
235.10765	100.0
235.12885	7.3
259.10855	18.9
262.65839	5.1
287.10315	19.8
305.11084	27.1
396.15686	34.1
452.00845	6.4
454.19452	6.4
466.15906	14.0
537.98303	6.5
615.24463	22.9
633.25616	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31500	6.3
86.79246	7.5
90.88956	8.2
106.75723	6.7
112.39894	7.0
155.63852	8.3
217.09761	10.4
220.09981	7.6
235.10762	100.0
259.10736	18.8
279.24255	11.4
287.10248	10.6
288.16882	9.1
305.11389	14.5
321.72238	7.8
361.41397	10.8
396.15369	39.4
607.26764	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54695	17.5
56.77020	20.3
61.02900	54.5
67.05495	60.3
69.03402	34.5
70.05299	26.5
79.05470	26.4
81.07056	66.5
83.08575	32.3
85.02887	100.0
91.03946	60.7
95.08596	56.1
97.02891	96.0
105.20827	20.5
111.04430	31.2
116.26308	22.0
125.06814	24.1
127.03929	35.8
133.10115	27.0
187.06546	25.5
309.24289	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62201	32.7
67.05472	100.0
69.07058	61.6
75.64174	34.0
81.07040	91.7
86.53904	33.7
87.55776	37.8
93.07037	60.6
95.08591	94.9
108.61649	39.7
167.41490	44.7
222.14902	55.5
251.21187	38.8
253.53510	44.5
279.23096	45.6
337.27136	63.6
342.87091	45.4
418.77551	43.0
499.79147	49.6
517.08063	44.3
527.12817	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.0
60.08156	7.8
70.48510	1.3
71.07360	4.6
86.09699	41.0
92.87498	1.3
98.98462	3.2
104.10804	1.3
104.71210	1.2
107.08050	1.3
119.08602	1.8
124.99996	22.1
131.55472	1.2
166.02721	1.3
184.07336	100.0
248.66348	1.4
575.97955	1.8
628.40991	1.6
634.40717	3.1
648.99109	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56942	14.9
52.57195	14.6
54.08513	12.9
55.05522	17.1
57.07075	66.6
61.82077	15.6
67.05499	22.0
71.05015	37.8
71.08640	75.2
79.05483	21.5
80.89864	17.5
81.07083	30.4
83.08617	23.7
85.10197	50.9
87.04491	53.3
89.06023	100.0
91.05495	33.7
93.07088	30.8
95.08624	51.3
97.06494	85.5
107.08634	24.3
112.85210	17.6
121.06522	23.9
130.08665	22.9
133.08655	79.1
135.08060	24.0
145.10175	28.7
163.11221	29.8
177.11224	33.1
181.12259	26.5
188.64224	21.1
197.12288	17.8
216.98492	21.0
232.22948	19.8
267.57776	22.1
291.23117	32.3
296.44412	20.2
315.66812	20.0
341.05356	21.2
405.73462	20.7
493.39377	89.2
634.98395	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	23.8
55.05491	15.4
57.07053	69.8
67.05493	44.5
68.23631	12.7
71.04973	29.5
71.08612	70.8
77.26728	14.4
81.07043	41.5
85.10181	40.8
86.08910	15.9
87.04463	24.8
89.06017	100.0
91.05482	30.6
93.07016	30.1
95.04955	15.7
95.08606	27.0
97.06499	84.1
104.10429	15.4
109.98557	13.8
119.08613	21.9
121.06492	28.1
126.30283	15.9
130.08623	21.0
133.08614	63.2
135.08075	16.3
147.08174	17.8
163.11179	25.5
176.55792	14.9
177.11211	18.7
181.12279	33.8
184.07324	24.4
198.81906	14.7
291.23260	40.9
493.38852	50.4
583.20789	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29511	1.8
59.21322	2.2
60.78924	2.1
67.05524	2.7
69.84084	2.4
79.05529	3.1
79.47249	2.7
87.13306	2.3
91.05515	4.5
93.07037	6.2
94.06586	8.8
95.07378	8.8
96.08132	19.5
107.07365	3.4
108.08089	13.9
110.09666	21.7
120.08122	25.2
120.66738	2.8
122.06072	6.7
122.09699	3.6
123.06857	2.8
124.07639	2.9
127.61396	2.4
136.07661	6.1
138.09128	100.0
146.09715	2.8
150.09183	3.0
164.07146	10.6
166.08606	2.7
174.09248	6.9
181.09781	3.0
191.08188	9.6
202.08836	4.6
220.09695	3.8
230.08168	5.8
243.56781	3.2
252.50073	3.2
261.08597	19.1
263.10446	3.4
272.09055	3.1
287.10425	4.5
305.11563	3.8
398.17230	5.2
424.39938	3.2
434.17520	3.5
440.17206	3.6
444.20975	3.7
452.18588	5.9
454.19382	4.4
470.19382	8.6
472.20728	3.4
480.17703	7.0
589.26642	7.7
617.25854	10.7
635.27045	4.4
636.69153	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2709
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
52.40411	1.9
55.34591	2.1
58.38533	1.8
64.67358	2.0
72.79208	2.2
87.65360	2.3
87.72441	2.0
91.05451	5.1
91.70937	3.1
93.07047	9.9
94.06550	6.3
95.07335	7.4
96.08118	17.3
97.06472	3.2
106.06618	2.8
107.07321	2.5
108.08125	10.0
110.09671	28.2
120.08097	22.7
121.08913	2.8
122.06047	4.1
122.09661	8.8
136.07567	9.9
138.09129	100.0
146.09628	4.1
150.09171	15.9
164.07042	13.1
166.08653	7.2
174.09186	8.1
177.06705	2.8
181.09720	8.6
191.08180	5.7
202.08820	4.8
203.08133	3.8
217.09801	4.1
220.09734	4.0
245.09288	4.1
248.09312	3.9
257.09167	4.2
261.08670	32.5
263.10272	5.2
272.09146	2.8
287.10248	6.3
303.66769	3.0
307.12869	5.8
331.09399	7.0
398.17029	6.6
434.17053	4.1
452.18362	3.9
460.03458	2.7
468.17450	2.6
470.19257	12.3
480.17648	11.0
567.21118	2.8
589.26154	4.9
617.25702	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94671	3.8
62.33912	3.6
74.50043	3.3
96.08112	5.6
104.22314	3.4
108.08098	4.6
110.09648	6.4
120.08075	7.0
129.96342	3.8
138.09137	21.4
146.09593	6.4
159.74629	4.1
166.04652	4.5
174.02824	5.1
174.09224	7.0
188.31909	3.9
202.07362	9.0
210.60435	4.0
217.09761	11.1
220.09729	18.7
257.09210	22.2
261.08664	100.0
261.11380	5.2
285.08743	30.7
313.08054	20.2
315.17630	5.7
331.09097	23.0
398.16910	9.6
406.17361	9.7
468.17380	8.2
480.17633	35.6
617.26001	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53848	2.7
66.02641	3.0
82.62766	2.9
89.28928	3.6
91.05454	3.7
93.07018	5.9
94.06600	7.9
95.07347	5.7
96.08130	16.5
105.51539	2.9
106.96143	2.9
108.08166	10.2
110.09677	30.4
110.10350	3.1
117.59398	2.7
118.00045	2.8
120.08084	27.9
122.05999	4.2
122.09727	3.5
136.07549	6.6
138.09129	100.0
146.50121	3.5
150.92300	3.1
164.07101	8.6
166.08678	6.7
174.09172	4.1
174.99742	2.9
175.74492	3.6
181.09787	8.6
191.08200	4.1
202.08714	5.5
230.08092	4.1
252.76421	3.5
261.08838	11.3
307.12823	5.0
398.17145	4.1
470.19336	8.9
480.18073	4.5
589.26666	6.4
617.26050	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79388	10.2
55.05501	21.2
57.03421	22.9
57.07048	17.4
60.68599	9.1
67.05502	84.1
68.76400	10.7
68.93192	10.7
69.07046	35.9
79.05478	43.6
79.83781	10.9
81.07045	100.0
83.08629	13.9
91.05470	64.0
91.70932	21.9
93.07040	55.1
95.08600	86.9
105.07037	75.3
107.08614	35.9
109.06573	12.8
116.54800	14.9
117.07012	45.6
119.08566	36.3
121.10168	15.7
129.07002	50.1
131.08553	52.9
133.10112	23.3
137.35043	11.6
141.06969	21.8
143.08551	22.1
145.10153	23.4
147.11697	25.4
151.11316	14.4
154.07773	13.7
155.08496	17.9
157.10168	21.9
159.11646	18.4
167.08571	26.2
169.10161	35.2
171.11647	25.2
173.13269	16.0
181.10185	24.2
183.11655	13.8
195.11638	29.4
199.14738	17.9
207.11674	17.1
209.13356	14.2
211.92369	13.2
261.09058	13.2
353.02768	13.1
361.24692	13.6
394.61569	15.4
458.71765	13.5
477.82684	16.3
525.10992	16.2
635.46796	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	9.9
60.37635	7.5
69.03401	8.5
69.07060	27.3
70.99198	7.1
81.92365	9.0
83.08633	9.7
84.04494	96.9
93.07050	10.9
95.08600	16.2
95.85538	8.5
102.05543	61.5
102.06103	9.4
105.07023	10.8
111.08066	12.9
122.06140	10.5
130.04996	87.4
148.06033	100.0
189.12704	15.1
199.71376	14.2
370.25775	26.7
370.40060	12.0
384.97394	10.7
388.26883	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65294	1.8
56.96548	5.8
60.08171	11.1
67.05522	2.5
71.07391	2.9
82.65414	2.3
86.09693	38.1
86.10128	3.1
98.97575	3.1
104.55681	3.0
120.42845	2.7
124.99994	16.7
125.84201	2.5
153.16093	2.6
153.94621	2.6
184.07321	100.0
202.31691	2.6
339.44565	3.1
378.94336	3.2
505.45874	3.7
547.89233	2.9
595.24445	8.5
636.27155	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59048	2.6
55.86977	2.6
60.08146	9.4
62.53305	3.6
64.48085	3.1
71.07317	3.6
79.13809	3.1
81.07036	4.4
86.09695	41.4
100.94463	3.4
112.11127	3.3
115.25785	3.1
125.00001	16.5
138.02950	3.4
156.86638	3.7
184.07323	100.0
184.45477	3.4
189.70683	3.8
231.79329	3.7
256.31949	3.6
493.14279	4.4
636.38287	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	8.3
71.07323	5.1
82.19998	5.8
86.09702	32.8
117.61584	5.5
125.00007	22.6
145.22327	7.0
184.07329	100.0
195.25452	5.9
252.02237	6.8
396.34479	8.2
466.06992	8.5
547.24792	8.6
636.41888	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
60.08158	9.9
62.98827	0.6
64.71406	0.5
71.07366	4.7
81.07041	0.6
86.09697	42.2
91.71642	0.8
95.08609	1.2
98.98475	3.1
104.10733	3.1
104.59532	0.7
111.01299	0.6
124.99996	22.9
126.87748	0.6
132.70956	0.7
166.02635	0.8
184.07333	100.0
202.45767	0.6
221.71817	0.7
290.18344	0.7
344.67798	0.6
636.42218	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13486	0.7
55.53346	0.9
58.69254	0.8
60.08154	9.6
71.07366	3.0
86.09697	40.6
97.78992	1.0
98.98468	3.0
104.10742	2.4
111.24763	1.0
124.14931	1.1
124.99996	20.9
135.45193	1.1
184.07329	100.0
215.92345	1.1
435.60403	1.2
554.75726	1.1
636.42010	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17462	3.1
57.07066	36.4
67.05239	3.7
67.05497	43.9
67.32753	3.1
69.07043	12.5
71.04990	5.0
71.08627	19.9
79.05456	5.7
81.07046	71.3
83.08593	11.7
83.62559	3.4
85.06519	7.5
85.10177	11.5
86.16660	3.1
90.05454	3.2
91.05487	6.7
91.71666	8.6
93.07018	4.8
93.99747	3.4
95.08593	63.5
107.09827	3.4
109.10189	9.2
119.24927	3.7
123.11646	6.0
147.11754	5.5
162.10669	4.3
165.12782	4.2
166.13913	3.8
208.17032	6.6
226.18074	13.5
236.73544	3.7
257.17245	4.1
282.45923	4.5
306.14835	5.1
332.04010	3.9
390.82275	4.1
491.67709	4.4
495.40436	100.0
506.72049	4.9
618.41235	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10122	16.5
56.96557	59.8
58.63616	13.7
70.06566	20.7
78.78805	14.1
98.97575	39.4
140.00238	20.4
143.01784	18.3
167.70163	14.4
168.26605	16.5
180.36066	17.9
196.65681	16.8
202.38203	15.9
224.05766	20.8
250.56441	17.4
329.14102	23.4
347.15277	32.7
370.16699	22.0
388.17896	23.7
473.18152	24.8
491.19794	100.0
532.22980	19.4
574.59271	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.6
57.06799	4.9
57.07067	80.7
64.18275	2.2
65.03925	7.1
67.05486	3.3
70.97353	2.5
79.14555	3.1
81.07059	5.4
83.04970	98.1
91.05473	15.1
95.08601	3.7
98.98462	6.6
105.07009	13.0
105.23300	2.7
107.08616	3.4
115.05479	3.6
117.07008	6.4
119.08598	9.6
129.07031	4.5
131.08560	3.9
132.09361	5.8
133.10126	4.1
141.06987	12.6
147.11676	55.1
147.12791	4.6
151.01578	9.8
159.08060	11.4
161.13266	5.6
163.01595	4.9
169.07690	5.8
172.81383	2.5
175.01497	12.4
184.07399	4.8
186.42435	2.6
227.04695	5.2
239.04544	11.6
337.02332	55.9
378.04968	5.7
393.08820	14.7
413.05453	4.0
469.11703	7.4
525.17810	21.7
581.24292	100.0
637.30475	46.4
638.30505	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	29.0
57.07070	25.2
58.65472	14.8
67.05500	98.8
69.07072	36.4
71.08634	14.2
73.58052	14.1
79.05500	56.6
79.91309	14.7
81.07047	99.4
85.15186	17.4
87.16434	18.4
91.05513	48.8
93.07079	57.3
95.08623	62.7
105.07066	45.7
107.08671	28.1
109.10208	21.0
117.07056	32.1
119.08612	35.6
121.10222	22.5
129.07039	32.8
131.08604	52.3
140.42439	16.2
143.08690	27.2
145.10138	34.1
155.08623	20.7
157.10172	27.6
159.11774	18.1
160.89563	17.2
163.99208	17.1
169.10136	21.6
226.26193	21.1
263.86673	18.3
325.31345	20.1
369.51428	20.5
554.04773	22.1
637.48804	100.0
639.33307	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	7.2
57.03411	2.7
57.07058	5.2
60.08150	6.6
67.05491	17.2
69.07062	6.8
71.07358	5.0
71.08617	3.3
73.35648	2.5
75.37093	2.2
76.48988	2.4
79.05481	7.6
81.07048	17.7
83.08586	4.0
86.09696	43.9
87.10025	5.5
91.05467	12.9
91.70969	5.6
93.07029	9.6
95.08579	14.5
98.98457	4.6
105.07019	8.5
107.08614	5.4
109.10139	4.8
117.06987	5.9
119.08574	9.9
121.10163	3.9
124.99984	23.7
129.07059	3.6
131.08583	7.7
133.10146	4.2
141.22163	2.3
143.08548	6.2
145.10110	5.2
152.04033	3.0
154.47124	2.8
155.08594	6.9
157.10107	5.4
159.11574	3.1
167.08545	3.5
169.10129	6.2
171.11662	3.0
181.10056	3.1
184.07336	100.0
185.07689	11.6
195.11681	3.5
197.13286	3.5
199.14879	3.9
353.31311	3.3
366.62781	3.1
464.49622	3.9
545.43372	11.0
553.77930	3.2
619.46844	5.3
637.47742	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	42.2
57.03397	22.8
57.07055	68.9
62.85212	21.0
67.05493	85.1
72.28197	23.0
79.05425	31.9
81.07054	100.0
82.07366	23.4
82.60487	24.6
82.89677	28.3
83.04966	36.2
90.85912	23.8
91.05472	55.2
93.07024	37.2
95.08577	54.3
109.10103	42.0
114.51926	23.9
117.07040	30.3
119.08588	35.0
129.06985	34.1
129.11902	24.5
131.08485	33.5
133.10146	23.0
136.72353	24.4
141.06992	29.7
143.08609	39.9
145.10150	43.9
147.11667	37.6
155.08591	42.3
223.45111	31.1
247.23798	29.8
292.11621	35.5
436.49335	30.4
447.44009	30.5
465.49561	29.2
523.54425	30.4
581.24316	56.4
591.35352	32.9
607.55658	34.7
637.48041	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
69.03423	100.0
74.69173	0.9
87.04463	8.3
104.50508	0.8
105.05494	1.1
155.07021	16.2
173.08115	2.4
191.09230	1.8
241.10806	2.3
259.11783	4.3
345.15436	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	8.3
68.44319	1.7
71.07365	2.9
79.94921	2.1
81.07085	2.0
86.09702	43.7
98.98473	4.4
125.00001	18.1
154.91547	2.1
184.07326	100.0
204.85081	2.2
299.77399	2.7
421.04581	2.6
531.67139	2.5
638.40015	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	2.9
55.05502	23.3
57.07069	34.4
67.05492	25.6
69.07057	27.6
70.72638	3.2
71.08620	26.2
71.08947	4.2
72.55047	2.9
79.05479	5.0
81.07050	30.5
83.08610	34.7
85.10173	15.5
86.09688	4.1
93.07031	13.6
95.08603	26.2
97.06533	9.5
97.10154	6.8
107.08592	11.7
108.53034	3.4
109.10147	10.4
111.08066	6.1
121.10171	5.4
123.11718	3.7
124.72465	3.5
149.13268	12.8
167.14323	9.8
228.19658	3.9
241.18031	20.7
313.27094	4.4
449.46893	3.6
497.41989	100.0
498.42026	5.2
615.86298	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.6
56.43270	0.3
57.07051	0.6
58.06595	0.6
60.08157	8.9
62.74511	0.3
71.07053	0.3
71.07361	3.8
86.09696	40.8
97.10192	0.4
97.92611	0.3
98.98466	3.1
104.10740	2.7
124.99993	22.7
134.99115	0.3
141.77841	0.3
166.02644	0.9
184.07326	100.0
185.07613	0.5
327.98105	0.4
336.08279	0.3
358.19336	0.3
459.70969	0.4
591.47369	0.4
638.43958	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14345	3.4
60.51269	3.5
65.03957	6.8
73.01151	3.5
91.71607	4.3
104.76667	4.3
121.02883	6.0
139.03937	6.9
149.02332	100.0
158.14613	4.2
175.97830	4.0
193.04973	76.9
193.06622	5.7
237.07570	50.0
261.04761	4.0
323.72394	4.7
341.06497	5.4
385.09183	6.5
429.12030	14.4
577.13446	7.3
621.15973	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16843	23.2
51.19911	22.5
57.07063	31.9
61.03474	23.4
67.05482	100.0
69.07057	44.5
79.05482	56.8
81.07042	82.9
81.32331	24.6
81.76626	23.8
82.26369	28.7
85.28300	26.0
91.05470	90.4
91.70982	37.2
93.07031	91.6
95.08608	98.1
105.07043	38.8
107.08592	33.5
119.08585	46.7
121.10190	36.2
123.11827	29.0
131.08609	41.8
142.46373	29.0
149.61395	25.6
335.25778	42.7
407.81604	32.8
639.49103	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77435	18.8
55.75267	21.1
57.03418	25.3
57.07052	23.3
67.05485	79.8
68.02342	18.5
69.07050	28.4
79.05481	33.3
81.07034	100.0
82.39925	25.0
83.08588	28.6
85.10147	18.2
91.05466	53.4
91.27360	23.4
93.07007	71.4
95.08595	87.6
105.07037	51.1
119.08584	46.9
121.10163	33.3
123.11573	22.2
129.07060	36.3
131.08614	40.7
133.10136	32.2
201.72255	21.5
203.17801	26.3
251.44254	26.1
335.26178	26.9
424.35019	23.6
520.96204	25.7
537.64465	29.4
639.49982	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19053	15.5
52.83646	13.2
55.05499	32.2
67.05486	71.3
69.07067	39.6
69.28772	14.2
79.05446	17.9
81.07022	82.1
91.05460	37.1
93.07059	27.2
95.08572	56.3
95.41973	19.0
96.21439	15.9
105.07067	28.2
107.08606	19.3
109.10173	20.9
117.06983	30.1
119.08573	25.1
125.53899	15.8
131.08562	31.2
145.10118	30.3
157.10129	22.8
224.26073	18.6
265.15854	19.5
411.11557	21.3
639.50031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	4.2
60.08156	7.6
85.46015	3.9
86.09694	30.5
89.30933	4.4
91.05419	4.2
104.10744	100.0
180.63965	4.6
210.18874	5.9
269.71951	6.0
341.17905	24.2
580.26648	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.297
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06585	100.0
72.08125	12.2
85.02905	20.0
85.22455	10.2
93.07047	11.5
107.04936	16.3
112.26542	10.4
121.00523	11.0
121.61575	12.2
157.10086	16.5
182.73318	12.9
199.95094	17.3
568.57355	15.4
572.79803	14.8
610.68774	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.6
55.18652	9.2
57.03423	16.8
57.07067	100.0
57.21281	9.8
67.05502	81.1
69.07039	46.5
71.08614	48.0
78.33104	10.2
79.05473	40.5
81.07041	96.0
83.05006	12.7
83.08603	34.3
85.10182	27.2
88.27217	11.9
91.05470	41.9
93.07040	74.0
95.04973	10.9
95.08586	62.1
95.66781	10.6
97.06477	15.2
105.07016	37.9
107.08598	32.2
108.23135	12.0
109.10132	24.9
117.07025	22.0
119.08599	27.0
121.10101	23.5
121.71037	10.7
131.08595	14.9
133.10086	25.5
145.10173	13.0
149.13277	11.5
157.92763	13.6
176.43216	12.7
195.13736	14.6
218.10730	11.2
255.15897	13.0
275.20016	23.0
276.99234	11.6
313.27332	86.5
349.23636	24.0
375.84760	12.2
507.40533	63.0
533.87616	12.8
587.46796	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	49.4
57.03426	25.1
57.07065	76.7
59.25142	17.1
65.62682	18.3
67.05492	60.6
67.56252	16.1
69.03410	22.9
69.07065	52.8
71.08611	53.4
76.39940	16.8
79.05501	30.7
81.07049	86.5
83.08610	48.9
85.10168	27.9
91.05488	24.4
93.07055	47.6
95.04962	80.0
95.08588	65.9
105.07023	29.8
107.08585	27.4
109.10177	41.7
119.08593	27.1
124.83479	19.7
135.11700	20.1
149.09691	35.7
163.11217	40.0
177.22357	21.6
223.13226	43.0
275.20102	55.7
293.21066	55.7
301.14926	22.8
313.27179	100.0
349.23672	26.1
360.98642	26.2
367.24713	27.9
386.68539	22.4
399.56482	22.9
596.07373	23.1
605.47339	87.3
620.28326	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	28.2
55.05507	46.6
56.03211	21.4
57.07054	77.0
67.05491	83.6
67.90385	21.5
69.07042	52.5
71.08604	45.7
78.85117	23.5
79.05493	35.4
80.00321	23.2
81.03384	31.0
81.07043	99.7
83.08568	38.8
91.05463	42.7
91.71029	52.5
93.07031	30.3
95.04984	42.8
95.08604	74.4
105.07029	30.4
117.07029	43.0
119.08536	40.0
131.08572	33.4
133.10110	45.3
135.76370	29.5
158.57828	25.8
163.11205	34.9
184.51978	25.4
273.68488	31.5
275.20102	84.8
281.03409	30.6
281.53876	31.2
313.27411	100.0
349.23672	52.9
605.47571	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69852	59.6
55.05495	75.2
56.78471	85.6
57.26062	64.9
61.27703	68.5
67.05511	95.8
70.54156	69.3
76.41488	78.9
90.32014	71.7
91.05454	94.1
95.08635	81.8
107.08582	90.4
109.10150	94.0
110.80898	95.8
134.39679	77.7
171.33803	76.5
184.83156	84.7
198.33568	83.4
209.60704	81.6
214.95499	84.7
327.51498	99.8
344.24167	100.0
358.50574	92.7
474.90369	92.8
551.57550	96.7
599.60980	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15114	6.8
51.80061	6.2
55.05487	18.1
56.68753	6.2
57.03431	6.8
57.07063	31.2
63.00950	6.2
65.85849	7.6
67.05470	36.6
69.07050	27.3
71.08614	38.4
77.06805	5.8
77.14970	7.0
79.05472	13.6
81.07045	27.1
83.08585	9.0
85.10187	12.1
91.05515	9.5
92.76569	6.6
93.07040	12.8
95.04928	9.4
95.08595	27.2
99.08096	11.0
105.07010	10.2
107.08628	9.0
109.10178	9.9
111.52367	8.7
130.18170	7.2
130.96335	7.6
293.21103	100.0
313.27411	48.5
367.24905	22.1
605.47607	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04000	0.9
53.34570	1.0
53.75501	0.8
55.01862	13.2
58.99575	2.2
61.38082	0.9
62.46125	1.0
67.05500	1.0
67.68162	0.8
69.03414	4.3
76.02213	5.1
79.05464	2.9
81.03413	5.3
83.04966	6.6
84.04500	7.7
85.02877	5.2
87.00838	1.5
97.02881	2.2
99.04422	1.7
105.00117	1.5
105.01868	1.4
107.08609	2.4
109.02883	3.3
112.51670	1.0
122.02715	24.1
125.09622	100.0
126.05564	1.8
127.03940	2.2
130.05019	2.8
140.31345	1.1
142.03230	3.0
143.10707	7.5
159.02919	1.3
186.15160	1.0
188.03836	1.4
192.06433	1.2
215.29875	1.1
220.63449	1.1
251.06964	4.3
264.12659	9.5
357.93005	1.2
375.15796	2.1
393.16855	21.4
393.21936	1.4
443.42950	1.4
458.81995	1.3
470.00366	1.1
512.18134	1.6
641.22003	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02597	4.6
67.66772	4.3
133.48976	4.7
141.26042	6.6
158.05806	6.7
186.05363	11.9
241.01820	5.1
245.83347	5.2
448.14722	79.0
491.16992	15.3
641.25897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58687	5.4
88.70329	6.8
95.65400	8.4
127.80240	6.8
134.72121	6.2
161.54718	9.6
181.65471	7.2
186.05304	21.8
209.26273	8.4
285.08447	10.0
291.70523	7.3
448.14667	100.0
491.16669	43.5
641.25671	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45774	5.6
55.71754	5.6
61.13833	6.0
80.03459	6.0
85.57839	7.2
86.09686	8.7
91.70980	10.3
104.10677	10.0
124.10926	7.9
184.07303	16.8
199.18904	7.7
208.96999	8.0
517.24786	9.3
641.36560	100.0
642.36359	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16564	6.1
57.59654	6.9
69.28305	7.1
69.57810	6.8
116.68762	9.8
123.41434	7.9
140.24318	9.3
236.35829	11.5
337.63022	10.0
408.13739	9.9
455.21170	11.6
470.35464	11.1
527.75726	12.0
640.92712	10.2
641.46088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34096	13.1
55.05507	34.0
55.80511	12.9
58.99610	11.9
61.60433	13.8
67.05187	11.6
67.05503	100.0
69.07052	17.1
70.94170	13.9
79.05482	21.6
81.07039	85.0
83.08605	27.1
87.72166	13.6
89.72752	15.6
91.05491	32.7
93.01665	16.1
93.07041	43.7
93.86332	14.9
95.08601	35.9
97.10133	18.2
98.56139	14.8
105.07006	15.8
116.95072	14.3
117.07000	28.4
119.08600	47.4
121.10222	15.6
131.08562	22.8
133.10143	19.0
144.73422	15.5
147.11635	20.3
173.13225	19.0
304.67401	18.4
337.27481	24.7
641.50964	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63054	6.9
53.07013	7.6
57.31279	6.4
60.08147	11.8
62.29255	9.3
86.09688	19.3
104.10741	100.0
125.36211	8.4
127.93143	10.0
131.38206	8.8
142.70076	8.3
155.38731	9.9
184.07294	9.1
193.05069	14.6
231.34563	10.3
236.58386	9.4
239.99495	11.9
297.16879	11.5
642.35272	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23196	1.2
56.96553	7.9
60.08153	7.6
66.31101	1.4
67.05502	2.0
71.07352	6.3
71.07708	1.7
72.08128	2.0
73.98882	1.4
79.02885	1.5
86.09698	25.8
101.96261	1.6
104.10740	100.0
105.31652	1.6
108.65636	1.6
108.87904	1.4
112.37632	1.5
121.30780	1.5
121.58150	1.5
171.28035	1.8
172.95178	2.0
180.95718	2.0
198.96851	6.0
208.16957	1.7
216.97850	2.8
218.98415	1.6
221.98421	7.3
245.00069	4.4
274.71936	1.7
343.19287	13.3
384.22040	7.7
523.21143	2.8
526.26068	6.9
550.83551	1.9
582.28723	11.4
642.30682	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.7
57.07068	22.2
66.90929	3.7
67.05495	100.0
69.07059	13.8
71.04987	4.0
71.08624	17.3
75.06953	3.7
79.05481	3.9
81.07052	19.9
83.08598	14.4
91.05465	6.9
93.07072	6.8
95.08600	91.7
97.10181	3.7
105.07072	4.7
109.10156	57.9
113.67644	3.4
150.54716	3.8
173.11688	12.9
277.32422	4.8
369.22626	58.5
453.35794	27.2
467.37332	26.7
645.10187	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29697	2.4
54.64320	2.7
55.01850	6.1
55.05499	6.0
56.79035	2.3
57.03413	2.7
57.07064	16.0
65.64619	2.7
67.05493	9.5
69.07055	10.1
71.08609	17.1
79.05484	2.8
81.07042	32.5
83.08619	4.9
85.10168	7.4
91.05486	4.3
91.71679	6.8
93.07037	5.0
95.08611	10.2
97.06539	3.3
105.07037	4.5
107.08581	5.5
107.83687	2.5
109.06486	8.7
109.10146	7.7
111.04459	10.0
119.08584	3.3
121.10126	5.7
133.10153	5.7
135.11682	6.4
136.63680	2.7
137.05960	100.0
141.62471	2.8
147.11604	5.0
149.09671	4.8
161.09578	6.8
161.13251	4.6
175.11224	5.3
203.17932	4.2
203.37509	3.4
218.58740	3.2
231.17430	5.4
277.17969	34.9
295.19067	10.9
313.27310	22.5
329.29776	3.2
336.28345	3.6
351.21753	12.3
360.71985	3.2
416.85425	3.3
589.44513	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	23.8
57.07065	100.0
64.45902	22.6
67.05493	85.0
71.08616	34.5
78.14404	24.3
79.05505	28.9
81.07054	82.7
85.10153	40.8
85.98564	20.3
86.38871	22.9
91.05471	36.0
93.07053	30.5
95.08583	47.9
100.63295	25.0
109.10118	24.2
111.56458	24.8
119.08591	31.4
137.25877	24.0
149.78549	29.2
210.70363	27.9
222.64767	25.5
277.21536	30.5
313.27463	68.7
349.18231	26.7
460.05600	30.6
641.12708	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	18.3
56.95905	4.3
57.03420	9.3
57.06832	5.4
57.07066	61.0
63.41791	5.0
67.05492	64.0
69.07050	22.5
69.19059	4.9
71.04981	5.3
71.08620	48.8
79.05479	33.7
81.07047	80.7
83.04958	8.6
83.08595	24.0
85.10172	18.6
91.05461	27.2
93.07038	45.1
95.04939	10.5
95.08595	42.6
97.10136	8.7
99.08069	6.4
105.07023	16.3
107.08576	17.0
109.06538	5.3
109.10119	24.3
117.07072	9.4
119.08556	11.0
121.10135	10.3
131.08559	10.5
133.10121	8.7
135.11717	12.1
149.13271	8.0
151.11186	10.6
159.11797	5.3
185.43987	5.6
195.13881	8.8
225.57172	4.7
239.09485	5.5
251.16161	5.4
269.17456	7.5
277.21518	8.0
313.27258	43.5
340.76584	6.3
351.25323	14.6
467.36975	6.8
491.27942	6.5
504.69861	6.6
507.40442	100.0
620.81952	5.8
635.99274	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.53
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	12.6
56.13619	7.6
57.07077	45.7
57.07312	7.6
58.23248	6.7
63.49240	7.6
65.00246	7.3
67.05513	40.2
67.05801	9.2
69.07055	10.7
70.38948	6.8
71.04919	7.4
71.08291	10.6
71.08618	100.0
78.26459	7.2
79.05482	16.0
81.07050	57.0
83.08595	14.5
85.10165	9.3
91.05453	26.2
91.71661	18.7
93.07012	29.4
95.08591	53.3
99.08075	26.9
105.07030	17.7
107.08595	17.9
109.10168	13.3
119.08580	21.4
121.10182	11.2
151.11169	21.2
161.13260	11.3
163.11221	12.2
163.35086	8.7
179.14302	26.7
200.33617	9.0
232.87454	9.8
234.84200	9.1
277.21643	15.9
302.45825	10.1
313.27359	29.7
351.25180	65.8
411.34631	33.1
491.40945	31.1
589.48297	17.3
659.54675	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	25.2
56.89367	2.0
57.07075	12.7
60.28888	2.3
63.86631	2.2
67.05492	30.7
67.05782	2.9
69.03445	3.0
69.07074	7.1
71.08628	7.6
79.05512	8.2
81.07046	17.3
83.04995	3.4
83.08617	15.8
85.10186	2.8
93.07051	5.7
95.04947	3.8
95.08617	10.1
97.10156	31.3
107.08595	18.0
108.84752	2.7
109.10200	6.7
111.08085	3.3
117.06990	2.6
125.09637	28.3
142.66364	3.0
149.13229	2.9
171.23361	2.6
189.11287	11.8
209.53331	2.8
227.12755	100.0
277.21716	11.1
313.27277	23.4
317.27417	3.5
346.71439	2.9
351.25427	11.3
464.28772	3.3
483.36484	4.3
589.48022	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69551	10.0
67.05485	28.2
81.07033	17.7
91.05508	13.2
103.79034	15.8
138.81432	14.0
184.07437	19.0
193.45123	16.6
383.98624	18.6
441.19189	21.9
458.31384	17.8
555.22327	30.4
583.21881	100.0
595.35529	16.7
643.23932	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	9.8
62.41128	3.0
67.05484	3.9
69.38425	2.9
80.96216	2.8
86.09692	43.3
104.10706	3.4
124.99999	21.3
181.70322	3.3
184.07329	100.0
222.90382	3.5
430.61472	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60839	3.5
52.81652	4.4
52.87513	4.2
57.03430	5.9
57.07059	6.2
57.67045	4.0
58.06587	56.4
58.18270	4.1
59.07367	15.8
60.08155	16.6
67.05480	8.5
71.08614	7.4
72.00014	4.1
75.04446	5.5
85.18348	5.4
108.19598	5.8
109.10138	4.9
131.07092	6.1
133.08652	13.5
144.10176	21.3
162.11243	6.6
212.94621	6.9
231.98116	6.4
236.14919	100.0
388.23401	7.5
406.23743	6.2
474.38034	15.9
644.47498	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	13.7
71.08624	4.9
86.09702	5.4
87.04465	9.4
89.06023	100.0
124.99993	4.6
129.05353	2.6
130.08640	21.7
131.06964	2.8
133.08594	73.4
152.78099	3.5
167.25743	2.8
177.11234	20.6
184.07390	9.6
221.14012	4.5
459.27939	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.7
57.07061	9.8
57.07302	1.7
67.05486	2.0
71.08627	4.9
73.06529	3.4
81.07079	1.9
85.10210	4.0
85.69499	2.1
87.04464	9.3
89.06021	100.0
91.71645	2.3
130.08638	21.6
133.08591	72.9
177.11200	26.0
177.86501	2.3
184.07301	3.0
199.53111	2.4
221.13815	6.4
308.20560	2.7
371.22345	2.9
415.25452	4.1
459.27737	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26536	12.9
51.81431	12.5
51.94902	12.0
53.45010	15.0
54.24586	11.3
56.96558	33.2
69.05420	14.1
72.08128	21.6
86.10791	17.2
86.11359	14.3
98.97572	49.5
107.82639	18.1
111.05244	14.0
115.12515	13.4
116.98630	20.8
140.00174	24.6
200.02312	21.5
215.45459	18.4
223.24730	18.6
242.03418	21.3
260.04608	17.8
283.06046	19.4
337.54486	17.4
444.11957	16.8
470.46692	19.7
483.77164	18.3
516.04907	18.5
527.11047	26.2
579.41351	19.3
614.96045	21.1
643.23395	19.2
645.13928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06050	8.5
51.73980	9.0
54.45029	8.6
57.07065	17.5
67.05476	10.4
67.71046	12.9
71.08627	15.9
74.86831	10.7
89.05994	17.7
107.13438	15.7
187.12318	13.5
201.65540	14.7
214.13890	12.3
219.58109	12.2
248.28535	13.3
274.53033	11.9
295.18561	12.2
314.00900	12.3
496.81244	17.0
645.46936	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90245	8.1
68.64249	8.5
81.43858	10.8
89.06029	14.1
100.71504	8.6
106.06291	8.8
119.65781	8.4
167.25696	10.8
193.29155	9.8
316.26511	14.4
316.32361	12.3
365.38080	13.6
590.86322	13.0
645.47125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.47
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52448	8.9
67.53172	9.9
69.71966	12.0
70.17253	12.1
77.94576	10.9
77.98611	11.6
78.64459	11.1
84.26170	10.9
89.06022	19.2
103.82540	12.4
280.00928	11.7
549.94586	13.4
572.25763	16.4
602.07648	14.3
617.78101	14.3
645.47119	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59681	7.8
73.39316	10.1
80.77531	8.3
90.47027	10.0
95.14883	8.3
118.91290	8.4
146.86086	9.5
147.93552	10.2
155.45392	10.2
363.22910	9.8
436.45792	11.2
645.46918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84217	13.0
67.05473	49.8
71.08608	48.5
72.05018	16.4
73.80331	14.7
76.51099	15.0
79.05486	27.7
79.12612	13.6
81.07035	72.2
83.04980	14.9
83.08571	14.3
85.08807	14.1
89.06012	30.3
89.64211	17.1
91.05453	39.0
93.07034	72.0
95.08601	38.2
99.08086	18.7
105.07037	21.4
107.08614	29.2
119.08619	29.0
121.10082	16.7
133.08626	21.8
135.11719	27.6
179.14349	100.0
194.90732	16.4
199.78432	22.6
226.30302	18.0
277.21689	38.7
336.80963	16.4
351.25272	32.1
588.94635	19.8
627.45703	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	16.1
55.05502	56.4
57.03428	18.2
67.05496	95.8
69.03420	10.1
69.07048	36.0
71.08622	33.6
79.05486	55.1
81.03419	9.9
81.07040	100.0
81.88750	8.2
82.34990	8.2
83.05003	14.0
83.08595	32.5
85.11078	8.6
91.05475	70.7
93.07044	73.5
95.04979	14.0
95.08597	68.4
97.06525	11.9
97.10165	32.5
99.08113	13.0
105.07030	54.6
107.08580	41.3
109.06528	12.0
109.10158	28.8
117.07030	30.3
119.08595	22.8
121.10163	20.1
123.11511	9.2
125.09629	31.2
129.06973	18.9
131.08559	42.9
132.50117	9.6
133.10104	29.1
135.11687	31.2
137.59775	8.3
138.98109	9.4
143.08517	18.7
145.10124	29.6
147.11652	13.6
148.22784	9.1
149.13240	13.7
157.10022	12.6
159.11653	11.2
161.13277	12.0
173.13229	14.7
175.14958	9.9
189.11232	11.5
197.49292	9.1
227.12779	24.8
256.71609	11.5
258.84747	10.1
277.21573	15.8
293.21170	32.3
383.33139	14.7
527.37213	29.7
627.46149	59.9
645.47223	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	16.9
55.05495	38.4
56.85663	15.1
67.05482	80.5
69.07066	37.3
72.27334	13.2
75.01476	13.2
79.05494	57.5
81.07034	86.9
83.04938	18.2
89.06001	22.1
91.05476	55.4
93.07035	100.0
95.04977	21.5
95.08604	68.0
105.07018	48.4
107.08562	37.9
109.10165	38.5
119.08568	30.3
119.85557	15.2
121.10137	23.3
131.08551	41.0
133.08591	25.2
133.10118	38.7
135.11684	28.6
159.76151	17.2
230.95679	18.8
249.14000	19.8
428.16495	20.7
489.35727	49.0
627.46039	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22091	1.2
55.01853	1.6
57.03408	1.3
57.06596	1.3
67.05470	2.2
69.03409	7.3
70.06570	3.1
71.01328	1.6
72.83538	1.3
73.02923	1.6
76.83062	1.4
81.03406	5.2
83.64681	1.3
84.04538	1.6
85.02893	6.3
87.00804	1.9
93.16024	1.4
95.49390	1.5
96.32433	1.4
97.02883	3.4
99.04435	1.5
102.58366	1.6
109.02879	4.6
114.29835	1.7
127.03870	3.9
134.04633	6.0
165.02298	5.5
182.04941	100.0
194.04953	3.5
200.09319	1.8
205.05475	3.6
219.06998	2.4
220.53281	1.7
224.06311	2.0
231.06877	12.2
248.09615	27.5
256.10422	1.7
266.10681	34.3
266.13538	1.8
266.21494	1.4
277.67365	1.9
302.21753	1.5
350.55603	1.7
350.78683	1.9
452.82361	1.8
454.96603	1.7
470.16901	7.5
514.15973	25.3
602.21045	4.0
646.20099	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.9
60.08157	11.3
63.29493	0.8
67.05492	1.5
71.07362	4.0
79.05492	1.0
81.07047	1.1
86.09697	40.5
88.76654	0.8
95.08598	1.1
98.98456	3.6
104.10740	4.0
124.99993	20.4
179.64458	0.9
184.07330	100.0
229.65959	0.9
244.51027	1.0
273.06390	1.0
348.85681	1.0
496.47360	1.0
646.40338	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	22.5
67.05500	100.0
69.07060	24.4
70.70576	15.3
79.05470	54.0
81.07053	76.9
82.67249	16.9
91.05483	28.6
93.07040	63.4
95.08600	64.3
95.18513	14.1
105.07009	35.4
107.08622	35.0
109.10188	31.9
119.08637	15.8
121.10098	23.3
126.93284	16.9
130.66106	16.6
131.08636	24.3
133.10175	21.3
205.77426	17.1
277.21713	22.6
281.94705	23.6
335.25909	59.0
578.10181	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01385	4.8
57.03438	4.8
64.93246	5.8
67.05505	7.8
69.07099	5.3
71.08635	8.0
81.07059	14.2
98.25349	6.2
103.90076	5.4
113.64108	6.6
137.06024	5.8
184.11650	8.1
239.54021	7.8
246.67101	6.5
272.42480	6.9
282.76004	8.0
308.03387	8.0
335.18420	26.4
391.20282	8.2
477.67282	7.9
647.44904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01957	6.3
59.82926	5.0
78.47473	6.4
92.99937	6.1
100.24389	6.5
115.72749	6.5
119.90191	6.2
122.52624	7.3
203.69954	6.9
225.91301	6.6
265.55676	7.4
272.12918	7.1
335.21942	8.2
391.31339	7.0
637.54706	8.9
647.48590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22747	2.1
50.99227	2.4
57.07059	2.7
57.68995	2.5
58.01465	2.5
70.59543	2.2
71.32821	2.6
73.59370	2.3
76.45777	3.2
86.80529	2.6
91.47807	2.8
95.94894	2.4
221.58464	3.4
335.22055	11.4
340.65472	3.5
391.24710	3.7
583.55328	4.1
647.48505	100.0
648.48541	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	4.4
57.30892	2.3
65.71207	2.6
71.08632	2.5
72.18669	2.5
77.43334	2.6
83.31970	2.6
83.67233	3.0
114.39491	3.0
124.10347	2.8
182.46825	2.8
335.22052	8.1
391.24564	4.7
441.86566	3.7
499.23517	3.6
647.48590	100.0
648.48810	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82973	2.7
56.05029	6.6
63.17290	2.8
79.75813	2.8
84.04012	5.9
84.04496	99.2
86.06060	7.3
86.09693	100.0
86.65662	2.9
94.06487	4.1
101.85102	3.7
102.05527	18.4
102.36213	2.9
105.20782	3.1
114.05518	5.3
122.06017	12.2
129.06639	4.4
130.04994	38.4
132.10182	40.9
142.04964	4.2
147.07680	5.8
149.07082	5.3
150.05511	6.7
152.10692	7.6
168.06543	23.5
172.45982	3.3
195.07678	15.1
196.06024	7.8
198.11244	18.3
241.08177	17.7
243.13495	4.6
244.11832	7.1
259.09283	6.8
261.14346	23.1
281.15179	4.8
319.64664	3.3
330.90829	4.0
390.18835	17.5
444.81378	4.3
519.22772	23.7
648.27045	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97702	25.3
54.03229	25.0
56.54676	30.3
56.62763	26.3
101.33829	40.8
196.74028	39.7
213.01711	41.1
224.89432	46.9
280.20361	42.2
285.08044	37.1
303.09839	100.0
317.65649	41.7
347.08743	50.1
448.92603	39.7
484.17090	64.4
487.96429	49.0
549.16901	58.7
637.75964	46.1
641.51227	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39970	31.1
58.49013	30.6
62.19714	31.8
69.35782	39.0
78.19975	32.6
78.91056	41.5
80.80892	30.7
86.04470	41.5
98.44653	35.5
116.86520	43.6
162.82387	42.8
183.54111	41.7
203.44025	46.1
220.09615	88.6
275.10123	72.3
285.08496	48.9
301.11829	66.3
379.52887	48.6
450.05649	47.4
494.18912	54.4
631.27838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88933	9.3
76.11078	8.2
91.70943	9.4
96.08028	8.9
132.64919	11.1
138.09123	17.7
161.53844	9.3
174.09215	15.3
180.34964	10.5
202.07407	13.4
220.09798	19.3
257.09308	22.1
261.08670	100.0
275.10367	19.7
285.08780	28.7
313.07968	14.1
328.21246	13.0
345.10611	17.3
493.77621	10.4
494.18536	13.5
617.26025	22.8
631.27155	17.7
649.27960	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52200	26.9
56.38622	26.3
80.38068	29.2
91.71607	48.7
92.15497	31.1
142.28737	38.6
142.96812	36.8
181.01114	37.7
253.41666	42.3
261.08701	100.0
415.75305	50.6
430.61044	47.0
452.07843	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27563	2.6
50.88661	2.4
52.22863	2.5
72.51865	2.7
81.36567	3.1
83.48927	3.1
84.07219	2.8
95.90449	3.3
118.72498	3.0
146.09732	4.1
174.09251	5.2
202.07408	7.7
206.75282	3.4
217.09831	7.2
220.09785	14.2
233.09299	5.4
257.09271	25.3
261.08701	100.0
284.22672	4.3
285.08682	43.7
313.08072	30.8
345.10773	37.1
398.17029	15.8
406.17862	8.9
425.76233	4.0
480.18118	8.6
482.19360	14.8
494.19116	12.2
617.26123	13.0
631.27631	11.4
649.28882	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15382	10.0
65.95548	9.8
79.50359	11.9
84.49571	11.1
95.44707	10.5
106.02453	10.3
110.65846	11.9
166.31970	10.9
167.09747	10.8
217.09715	23.9
223.04779	12.2
257.09174	33.6
261.08661	100.0
285.08646	45.4
313.08267	30.9
345.10757	28.8
398.17123	15.7
482.19418	21.9
505.22290	12.1
537.96997	12.9
617.25970	22.5
631.27148	14.6
643.93030	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04114	4.1
55.05494	5.0
55.81877	3.9
58.42006	4.1
60.05632	11.3
68.89384	3.9
69.07051	5.9
70.06579	33.9
72.08143	53.7
72.20383	4.3
85.02924	6.7
86.09691	63.1
86.53732	4.4
91.05480	7.8
98.65426	4.9
98.69109	6.0
116.07103	8.3
119.04948	6.6
120.85396	4.8
132.46820	5.0
136.07578	100.0
141.29817	5.0
145.04927	5.4
146.70941	4.6
146.85970	5.1
155.86313	5.1
161.58453	5.1
175.11890	12.0
227.92267	5.1
235.14424	36.5
256.50211	5.2
263.13934	11.6
374.77615	5.4
418.09091	6.5
461.76477	6.1
486.17398	5.9
537.20721	6.4
649.40363	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39788	8.8
70.06573	9.5
84.04507	100.0
102.05540	44.9
102.59147	8.5
128.16138	9.5
130.04987	66.1
148.05029	10.2
148.06012	62.0
195.12935	10.0
201.43153	10.9
402.28345	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78391	2.1
60.88834	2.2
62.69221	2.2
64.40073	2.6
65.83527	2.1
70.17139	2.3
73.04744	2.8
77.00578	8.8
86.09705	3.0
87.04453	4.5
89.06023	15.9
91.05775	9.8
95.01631	46.1
102.03725	6.1
106.33267	3.0
107.58477	2.6
114.07372	25.5
117.03694	3.2
117.07359	3.4
117.09130	3.7
118.03206	100.0
119.01601	2.9
121.03193	10.7
125.00009	3.5
130.08658	5.3
133.08636	6.6
144.04788	6.1
145.06812	12.4
147.04715	71.2
150.68575	3.4
165.05775	13.2
173.62158	3.2
184.07335	17.5
188.07324	13.1
189.09511	9.1
191.07327	25.8
198.08664	3.1
235.09969	8.4
239.09476	7.0
244.85390	3.1
277.81345	3.0
304.81586	2.8
422.25754	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91010	0.8
60.08154	9.5
71.07355	4.0
77.04432	0.9
86.09694	42.3
87.42153	1.0
96.39365	1.1
98.98443	3.6
104.10728	3.8
112.98647	1.0
114.95900	1.0
119.06934	1.1
124.99992	21.8
136.23207	1.0
158.81194	1.1
184.07330	100.0
200.41849	1.1
214.18251	1.1
223.52940	1.0
233.48236	1.1
248.81378	1.3
387.22220	1.3
432.44733	1.5
650.44305	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51501	5.3
57.03436	14.4
57.07060	17.8
57.25408	4.3
61.02887	6.0
67.05484	23.3
69.07060	12.0
71.08613	15.5
81.07027	14.3
83.08628	8.5
84.27566	5.9
85.10176	10.9
86.09715	11.2
95.08597	100.0
97.79648	5.1
109.10198	8.5
159.10133	9.8
184.07288	33.0
189.93228	6.8
215.12776	50.3
228.95215	6.3
294.28479	7.0
313.27380	40.6
348.04752	6.4
453.35849	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51501	5.3
57.03436	14.4
57.07060	17.8
57.25408	4.3
61.02887	6.0
67.05484	23.3
69.07060	12.0
71.08613	15.5
81.07027	14.3
83.08628	8.5
84.27566	5.9
85.10176	10.9
86.09715	11.2
95.08597	100.0
97.79648	5.1
109.10198	8.5
159.10133	9.8
184.07288	33.0
189.93228	6.8
215.12776	50.3
228.95215	6.3
294.28479	7.0
313.27380	40.6
348.04752	6.4
453.35849	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70661	4.1
55.01864	14.4
56.34374	3.9
70.06567	5.7
76.02209	4.7
83.04948	9.4
84.04484	41.1
93.47916	4.2
102.05533	10.6
107.08578	6.8
112.64303	4.3
122.02715	21.5
125.09613	100.0
130.05003	13.9
132.22771	4.9
136.88104	4.6
142.03253	6.3
168.06537	11.3
173.71461	5.4
188.03760	5.4
225.26057	4.6
241.08189	5.4
251.06860	5.3
380.11157	6.2
393.16992	9.1
407.22687	6.0
522.20990	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81559	7.8
74.94132	6.7
78.03795	15.3
84.04518	9.2
84.62975	9.9
85.01129	10.1
93.07074	12.2
94.37632	7.4
102.03794	14.6
110.06023	10.9
118.27814	7.6
131.06375	11.6
149.07434	53.9
187.08218	8.1
220.09758	15.4
235.10764	17.7
244.09953	15.1
261.08643	14.6
277.08142	100.0
282.26169	10.1
384.74393	9.0
385.33118	10.6
392.16821	46.7
406.17902	14.9
414.16589	28.4
495.75885	10.0
496.17422	11.5
521.21198	10.9
603.24512	9.4
633.24664	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94007	2.3
54.54834	2.1
56.04361	2.5
60.52831	2.5
67.43410	3.1
70.06576	5.0
79.42079	2.8
105.19456	2.7
108.08109	5.0
110.09652	7.7
119.00886	3.5
119.71610	2.7
120.08092	7.4
131.07355	3.3
136.07605	4.5
137.68190	3.0
138.09137	20.2
146.09686	5.1
153.70251	3.2
171.38951	3.0
174.09192	7.7
187.08664	3.6
190.37465	3.5
199.05067	5.2
201.79919	3.5
202.95624	3.0
215.08221	5.1
220.09659	19.1
220.82423	3.0
233.09219	4.8
249.35097	3.3
251.77135	3.1
257.09323	4.6
259.07092	5.4
261.08792	12.1
277.08151	100.0
285.08743	8.4
302.12854	5.4
360.13239	7.5
361.14221	7.3
374.14789	7.1
406.17468	24.4
414.16513	26.7
468.17474	6.5
496.17084	15.1
514.18115	10.1
605.25751	6.1
615.23785	4.2
633.25616	21.1
637.39282	3.5
651.26788	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30716	38.0
67.05466	97.3
71.08624	74.2
79.05522	52.6
81.07039	63.5
85.46384	44.0
86.09689	47.8
88.53167	46.3
91.05496	66.0
93.07059	64.9
105.07030	100.0
117.07043	65.8
213.57999	52.6
231.09326	52.8
231.74043	52.7
301.88306	53.4
444.45636	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53798	1.5
56.48570	1.5
60.08160	5.4
70.63219	1.6
71.07350	2.7
86.09699	37.2
98.98446	1.8
104.10746	4.0
105.89526	1.8
113.74665	1.6
122.33519	1.8
125.00008	17.1
139.93289	1.6
142.08044	1.9
177.84225	1.7
184.07339	100.0
197.01225	1.9
285.21820	2.0
305.62497	1.9
327.90521	3.0
328.04321	1.8
341.47711	2.2
396.80539	2.2
430.64517	2.2
444.09576	2.1
535.44653	2.1
634.40527	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88055	1.1
58.76559	1.3
60.08164	9.6
60.87264	1.2
61.36069	1.3
71.07349	4.7
77.16963	1.4
84.34075	1.5
86.09696	48.5
94.07311	1.5
96.72382	1.2
97.15020	1.2
97.26273	1.4
98.98457	3.9
104.10735	3.9
117.87520	1.8
124.99998	24.6
135.59778	1.6
136.19911	1.9
166.02695	1.4
184.07327	100.0
188.47845	1.9
211.64610	1.5
223.74529	1.6
280.18253	1.5
335.88480	1.5
617.65045	1.7
634.40875	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79229	1.8
60.08156	11.9
63.32517	1.8
67.05524	2.6
71.07350	4.6
72.49133	2.0
81.07048	2.5
81.90652	1.9
82.99675	1.9
86.09699	39.8
91.05478	3.2
94.77775	2.1
95.98101	2.0
104.10707	3.0
116.44613	2.4
125.00001	24.9
134.98126	3.0
184.07332	100.0
364.45728	2.9
652.41541	7.6
684.34918	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	41.5
73.34631	39.2
75.56924	41.6
75.75227	37.2
91.02494	43.0
91.07333	38.7
95.08645	49.9
98.97588	88.8
127.05117	40.8
140.00215	100.0
141.20555	43.7
144.12103	40.2
154.59558	39.9
258.20935	47.3
282.18454	53.8
302.57190	49.6
308.06528	51.4
347.82791	51.9
510.65878	53.8
543.24451	52.2
548.28918	82.0
634.28796	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13707	10.5
52.54292	12.2
53.00294	14.0
53.17067	11.4
55.01841	11.1
55.05500	31.6
57.03434	13.2
66.67635	13.2
67.05499	100.0
69.07053	24.6
71.08628	76.2
73.80986	11.8
78.80466	12.2
79.05473	65.0
79.06207	12.9
81.07057	75.3
91.05453	82.7
93.07047	61.8
95.04952	16.2
95.08617	72.5
99.08093	62.4
105.07019	39.6
107.08601	28.1
109.10164	23.8
117.06991	39.6
119.08578	33.1
121.10169	30.1
129.07007	29.0
131.08504	39.5
133.10092	24.1
135.11696	17.8
145.10100	19.0
151.11194	24.0
155.08627	18.2
157.10219	20.6
159.11670	24.6
161.41612	20.5
179.14268	30.2
233.69641	14.1
243.20926	21.0
290.53622	15.7
292.92422	16.5
335.25623	47.8
352.10526	15.5
356.16837	15.1
389.41754	19.3
391.17322	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	35.5
61.58654	17.3
64.00150	19.7
67.05512	92.4
69.57902	19.2
70.55322	18.3
71.08656	64.4
76.31705	17.1
79.05502	47.1
81.07069	100.0
86.42061	19.3
91.05489	54.2
91.71784	44.6
93.07046	58.5
95.08578	48.5
97.10201	29.8
99.08125	50.6
105.07035	28.9
107.08633	23.1
109.10194	30.9
113.65965	21.9
119.08605	40.5
128.98683	20.4
131.08611	36.0
150.99500	21.8
151.11298	48.7
169.99525	24.4
174.29723	24.3
197.87677	26.5
205.56195	21.8
213.16164	22.5
227.05450	23.2
232.90855	24.6
233.14880	22.0
286.92560	24.9
308.49368	23.2
335.25565	35.9
368.15613	27.2
593.88562	28.8
635.46002	26.7
653.47296	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00266	17.4
57.03426	23.9
57.07047	22.8
61.20125	22.2
62.32049	19.7
65.80850	20.1
67.05489	100.0
69.07057	20.5
71.08608	65.9
79.05489	43.7
79.78099	20.9
81.07031	51.0
91.05511	31.9
93.07014	65.2
95.08595	71.7
99.08054	25.6
105.07037	40.7
107.08605	27.7
112.47585	21.9
119.08572	39.5
121.10172	26.6
131.08533	28.6
131.20660	21.9
145.10118	27.6
157.10152	26.9
183.87003	24.6
268.80203	25.7
278.06216	22.5
335.26013	29.1
353.34836	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31071	5.9
55.05495	8.0
57.07059	22.4
57.30408	7.4
64.42433	6.3
67.05487	16.4
69.03417	32.2
69.07066	9.3
77.10458	7.6
79.05486	8.0
81.07047	16.2
91.05483	13.3
93.07043	8.4
93.62785	7.3
95.04959	31.0
95.08589	12.1
97.06492	11.4
107.04945	16.3
107.08585	9.2
108.62180	6.9
121.06482	100.0
121.07201	11.0
126.66743	7.7
131.08548	15.1
144.04729	8.2
159.11697	14.1
186.05562	8.6
187.96617	8.7
283.08679	9.2
289.18008	34.4
296.39597	10.7
313.27307	21.4
325.58368	10.7
452.99377	10.5
522.26599	10.8
542.52032	10.4
619.45197	15.1
647.57135	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.9
56.32370	4.8
57.07049	22.7
58.51619	5.9
67.05477	8.9
69.07057	7.2
83.04974	100.0
91.05473	6.9
93.07050	6.7
95.04943	6.5
95.08579	8.2
99.19080	6.3
105.07070	7.9
128.06226	8.5
129.06996	11.0
146.54109	6.5
147.08032	13.0
147.11653	14.0
174.02408	6.9
175.01541	27.8
181.02638	44.9
227.04779	11.5
306.07373	9.2
313.12045	20.2
355.37198	7.5
369.18155	14.0
439.37500	8.4
483.36371	11.5
541.58752	7.8
543.19086	20.0
599.25446	46.7
655.31226	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27708	8.3
54.88359	8.2
56.34596	10.5
57.07058	70.8
57.07263	7.7
61.02922	12.8
67.05497	28.7
69.07089	12.9
70.63864	9.7
71.08633	66.3
72.97874	10.9
81.07047	32.6
83.08608	21.0
85.02911	14.2
85.10164	35.9
85.42957	15.0
91.03922	13.8
95.08590	35.5
100.08916	10.0
101.05134	11.1
104.42621	10.4
106.70203	10.0
109.10155	19.3
112.85693	11.1
128.44489	12.9
160.46281	13.7
239.23665	35.9
274.55093	15.2
278.23026	11.6
313.27246	100.0
331.28204	15.1
337.70682	13.2
346.01947	17.2
452.96838	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01855	1.7
57.03420	2.8
60.57764	1.2
61.02921	7.3
69.03420	16.3
73.02901	2.7
73.21154	1.2
81.03400	6.9
85.02894	100.0
87.04450	2.7
89.73433	1.2
91.03938	6.1
97.02882	24.5
99.04446	3.5
107.04951	6.0
109.02873	7.4
109.68393	1.1
112.56751	1.3
125.45388	1.5
127.03902	19.5
129.03421	1.3
145.04941	41.2
147.33018	1.9
163.06000	14.9
204.08681	7.2
258.90353	1.3
265.53256	1.3
266.30017	1.5
293.90161	1.4
325.11179	9.6
424.52542	1.5
644.61121	1.5
650.72266	1.5
674.43921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.5
57.03437	15.5
57.07072	7.6
63.56398	6.0
67.05510	29.8
69.07072	8.4
70.75662	6.3
71.04978	100.0
71.05320	6.6
81.07064	23.7
83.04990	16.8
91.05496	22.4
93.07051	22.9
95.08609	9.1
99.04449	44.1
105.07059	25.4
109.10187	8.6
113.09713	7.0
117.06984	12.1
117.76183	8.6
119.08572	14.2
129.05473	17.5
131.08635	12.3
141.42912	7.6
147.11699	9.0
157.10252	10.6
173.08080	90.5
173.09351	9.4
175.01712	9.3
189.16527	9.0
203.18018	12.2
230.26974	8.1
269.22574	10.9
287.23798	20.2
328.55484	8.4
361.27444	9.7
370.86334	9.8
376.95715	8.7
438.46198	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	13.1
55.05515	9.4
57.03432	11.4
57.07072	18.1
57.16550	8.7
61.87413	8.0
63.94112	8.8
67.05518	41.3
71.04979	76.7
76.78391	8.2
81.07063	28.0
83.04998	12.7
91.05508	28.6
91.71079	19.7
93.07050	19.9
95.08588	22.0
96.50479	8.7
99.04486	43.1
103.85987	10.6
105.07033	19.0
106.23721	9.9
107.08621	23.2
117.07043	15.2
119.08591	19.3
129.05487	22.3
129.07063	12.1
131.08571	18.3
133.10170	22.2
139.48654	11.1
173.08054	100.0
203.18011	22.1
269.22760	16.0
287.23776	17.8
349.84747	11.0
361.27631	27.9
406.13654	11.0
600.25171	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.51
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	15.5
54.59283	11.2
55.05497	38.6
57.03436	38.1
57.07064	83.5
67.05500	100.0
69.07055	69.8
71.04990	26.9
71.08619	61.5
75.11977	13.3
79.05470	39.3
81.03419	33.4
81.07046	98.4
83.04948	15.7
83.08612	15.1
85.06528	16.3
85.10178	38.6
89.64894	14.2
91.05479	44.0
91.71049	30.6
93.07051	71.2
95.04976	32.2
95.08599	84.8
97.06535	47.0
97.10125	12.5
105.07021	31.3
107.08593	22.2
109.06521	21.2
109.10150	27.9
113.10932	14.3
117.06966	25.7
119.08578	24.9
121.10143	26.9
125.09656	21.8
129.07010	20.0
131.08598	25.1
133.10118	20.2
135.08028	19.6
147.08066	15.9
149.09689	18.1
159.89886	16.1
248.44696	16.3
273.18457	19.2
287.47397	17.2
313.27429	84.1
507.40381	25.6
524.03278	18.0
680.23981	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66709	2.9
52.55918	3.4
100.72187	3.6
110.63290	3.2
143.96039	4.6
147.35721	3.7
148.88615	4.1
180.58049	4.1
186.05339	21.2
201.10707	3.8
285.08252	6.8
286.81033	4.3
306.27469	4.3
322.79132	4.6
380.87244	4.8
418.13928	5.2
424.02835	5.4
448.08929	8.6
448.14783	100.0
448.21036	5.1
491.16641	13.0
568.10565	5.2
581.57324	4.5
657.25281	97.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77456	3.0
66.04976	4.1
72.79847	3.2
102.30286	4.3
111.89829	3.5
133.74191	4.1
151.57919	4.2
169.08026	4.5
173.59209	3.8
186.05203	26.8
226.09065	4.8
285.08456	8.8
363.11743	4.9
448.14789	100.0
448.21054	5.0
452.25546	4.3
491.16766	19.9
639.24548	6.5
657.25171	95.3
658.25433	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16894	7.7
82.02008	9.1
95.36333	12.1
101.14592	10.5
113.13842	11.4
186.05321	10.3
218.24603	11.9
231.50911	10.8
377.13843	11.8
397.14737	12.5
448.14828	50.7
576.38867	12.8
657.25250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	10.4
58.36922	8.5
69.07053	9.9
81.07063	21.7
93.07024	15.6
95.08612	21.9
105.07049	33.7
109.10174	14.3
120.21878	11.0
135.40195	11.2
137.13303	15.3
160.95232	11.4
171.14058	12.9
191.98004	9.7
200.05637	10.4
271.24149	100.0
288.25769	11.7
301.83258	11.0
457.54865	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08444	2.2
53.00292	3.2
53.73229	2.4
57.07071	19.2
58.06590	4.3
58.44843	2.3
64.13918	2.8
67.68212	2.6
68.48523	2.5
70.06581	46.3
71.08626	7.1
77.66951	2.9
80.72343	2.6
81.00447	3.0
81.88258	2.7
88.07617	50.0
101.91184	2.6
102.09172	42.7
105.03403	3.5
149.02330	75.3
176.75531	3.3
193.04933	82.8
193.06650	5.1
201.75418	3.5
237.07574	17.2
256.26315	90.4
275.36008	3.3
313.06906	5.0
341.06616	15.9
359.07736	6.7
385.09393	24.1
429.11694	43.5
452.53781	3.3
468.67416	3.8
531.03900	3.5
658.35834	100.0
659.36578	5.8
673.25952	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93450	9.8
51.16189	10.2
53.37759	10.0
55.05501	23.1
57.07061	54.6
57.87507	10.4
59.46439	9.9
59.76573	9.8
67.05491	53.2
69.07056	54.0
71.05022	12.1
71.08620	38.1
79.05486	27.3
81.07046	41.3
83.04958	14.7
83.08620	23.0
89.06018	77.4
89.06513	13.2
91.05476	16.5
93.07033	30.2
95.08610	41.5
101.81821	13.0
107.08603	16.1
109.10165	35.8
109.46673	11.2
110.57290	12.9
113.06007	26.3
114.03986	13.8
130.08659	25.2
133.08589	72.0
135.11667	39.4
137.05867	13.5
293.17474	39.7
311.18481	24.9
313.27225	100.0
367.21002	35.2
459.28085	18.5
605.43787	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65343	8.3
55.05496	24.0
56.54527	7.5
57.03423	30.6
57.07066	58.0
67.05495	84.7
69.07047	14.2
70.20750	10.2
71.08617	57.8
78.80887	9.6
79.05492	17.6
81.03383	19.1
81.07035	45.7
83.08591	30.9
85.10144	19.0
89.06020	53.1
91.05467	18.6
91.70966	21.5
93.07028	19.2
95.04932	14.3
95.08600	31.1
97.10176	16.1
99.08108	12.1
105.07038	17.9
107.08587	10.3
109.10150	71.6
121.10110	10.3
133.08633	39.9
133.10159	12.4
145.10172	11.0
148.31775	12.6
229.14355	47.4
293.21027	24.6
295.64972	14.1
313.27213	100.0
367.24670	18.7
467.37427	30.9
523.39319	23.8
623.48914	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	21.0
55.05509	55.5
57.03438	23.7
57.07073	61.3
60.43307	8.5
67.05492	63.2
67.13087	7.8
69.07063	23.5
71.04977	9.6
71.08633	54.3
79.05478	20.7
81.03382	13.8
81.07047	47.1
83.08595	39.4
85.10213	21.6
89.06022	62.5
91.05499	20.3
91.71674	13.2
93.07043	31.0
95.04964	42.6
95.08593	39.0
97.10168	44.9
99.08091	17.6
107.04948	12.4
107.08614	21.7
108.44258	9.0
109.10150	20.3
111.04471	9.6
113.54698	9.4
117.06999	12.0
118.33772	10.0
119.08604	21.1
125.09663	22.4
130.08609	17.0
131.08568	10.9
133.08594	49.3
149.09534	17.3
163.11191	35.6
170.74361	9.9
174.12424	11.9
177.12813	11.5
189.11314	19.3
211.85292	11.0
227.12805	36.1
269.32886	10.8
275.20142	28.8
293.21045	100.0
313.27316	96.0
322.88626	10.7
367.24719	46.3
385.26010	13.9
456.52716	11.0
605.47723	16.6
623.48987	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	8.6
55.05297	4.4
55.05505	41.2
56.60832	5.3
57.03417	14.9
57.07066	62.9
67.05492	61.1
69.03403	6.9
69.07058	23.8
71.08624	57.3
79.05489	19.8
81.03403	47.0
81.07041	60.1
83.04968	18.1
83.08604	38.1
85.02895	14.9
85.10181	21.8
89.06026	38.8
91.05462	18.3
91.70991	13.1
93.07045	22.4
95.04958	20.1
95.08582	37.7
97.10180	21.5
99.08071	6.7
105.07023	17.4
107.08554	17.4
109.10176	30.9
111.08050	10.5
119.08550	9.8
121.10133	12.4
122.95681	6.4
130.08655	11.5
133.08620	24.7
133.10103	10.4
135.11636	6.8
157.10104	12.4
166.05191	7.3
169.68369	7.2
175.11313	7.9
193.12292	29.0
211.13301	29.9
229.01297	7.7
267.15826	14.0
275.19998	14.9
285.16962	21.1
293.21106	43.8
313.27353	100.0
367.24619	11.8
385.25952	14.6
393.30600	8.4
505.38986	12.2
523.40070	45.2
605.47559	11.5
623.48523	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48196	11.8
55.05505	19.1
57.07063	54.7
67.05508	98.0
68.04905	16.3
69.07047	46.4
71.08627	54.0
79.05474	22.4
81.07053	100.0
83.08601	30.0
89.06026	91.6
91.05474	28.3
92.76159	15.6
93.05433	15.6
93.07027	50.1
95.08589	55.7
96.45357	17.5
107.08598	33.2
109.10168	52.2
114.46115	16.1
117.07098	16.8
119.08616	22.9
130.08672	29.4
131.44624	17.3
133.08640	64.0
133.10037	18.7
177.11299	22.8
229.14458	41.1
269.17480	28.1
274.09244	19.6
275.19998	23.4
281.87180	17.5
313.27280	91.3
349.23724	25.8
467.36459	19.0
587.46753	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	23.9
60.10185	11.6
61.02909	69.1
61.33730	14.7
63.89071	14.0
67.05487	66.5
69.03410	33.6
73.02900	24.7
79.05444	17.3
81.03417	22.9
81.07038	61.4
85.02897	100.0
91.03949	60.5
91.05489	18.8
93.07032	46.4
95.08584	19.5
97.02862	82.5
102.77986	14.2
105.07012	26.5
107.08704	18.3
119.08611	17.6
127.03890	27.5
129.05505	15.3
135.16606	17.8
197.59137	15.9
237.41780	18.2
290.74353	16.5
335.25903	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51510	27.3
55.05489	24.9
61.02911	49.7
64.74674	26.6
67.05466	43.6
69.03438	31.1
84.62552	27.3
85.02902	100.0
91.03922	52.0
93.07044	46.1
97.02878	58.9
115.43701	32.9
122.90989	30.3
199.34204	31.7
335.25592	59.7
352.40509	32.7
457.28299	40.2
465.76517	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.7
60.08147	9.6
62.68105	3.0
67.05493	27.0
69.07050	7.1
75.10378	3.1
79.05478	4.8
81.07049	30.3
86.09702	35.0
88.18924	2.9
89.06046	5.2
91.05490	5.4
93.07030	5.7
95.08604	22.1
104.10684	3.3
119.08604	5.5
125.00018	21.2
127.61278	3.1
139.95296	3.5
165.12804	3.1
184.07332	100.0
347.44379	3.4
519.40314	23.3
660.41998	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52473	0.8
50.79338	1.0
56.05005	1.3
58.74672	0.8
59.83236	0.9
60.08154	9.3
67.05502	1.3
71.07365	4.3
72.03378	0.9
81.07062	1.8
86.09693	48.0
91.70905	1.9
98.98470	3.1
104.10733	3.5
124.99987	25.0
125.00818	2.0
125.96070	1.0
131.01135	0.9
132.82494	1.0
184.07327	100.0
274.80356	1.2
480.58939	1.3
660.42273	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.5
57.03439	9.0
57.07089	5.5
61.02922	5.5
67.05497	100.0
67.05830	6.8
69.07064	19.9
71.04987	3.7
71.54906	3.1
79.05494	10.7
81.07050	60.5
83.08642	12.2
85.02923	6.4
91.05505	11.4
93.07059	12.2
95.08595	26.2
105.07059	6.0
107.08613	8.8
109.10150	74.6
109.10847	5.7
114.11472	3.5
119.08633	10.0
120.54094	4.0
125.20598	3.5
131.20790	3.7
135.11659	4.6
147.11667	5.2
155.10713	6.5
173.11819	9.0
184.07533	4.1
229.14354	58.6
235.20477	5.8
303.84286	4.5
308.02240	5.1
309.24167	43.8
345.87805	4.8
396.56796	5.0
458.27298	4.5
463.34198	48.3
472.83920	4.3
525.33075	4.6
582.45013	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	27.3
57.03426	25.2
57.07069	63.8
67.05495	82.1
69.07067	23.0
69.07368	4.1
71.04986	4.4
71.08253	4.3
71.08620	58.2
79.05476	24.5
81.06600	8.6
81.07043	100.0
83.04930	8.3
83.08614	30.5
85.10153	21.1
91.05449	25.4
93.07028	46.0
95.04930	8.3
95.08585	54.6
97.06519	4.6
97.10143	20.6
99.08072	12.0
101.27657	3.8
105.07027	15.5
107.08591	23.1
107.40475	4.3
109.06467	4.6
109.10153	17.8
111.08082	7.0
113.09610	6.0
117.07014	6.3
119.08569	8.3
121.10133	12.3
123.11688	8.4
125.09624	7.7
131.08525	5.5
133.10146	9.8
135.11658	7.9
142.70242	4.0
149.13246	17.6
160.56705	4.1
168.56236	4.5
173.11853	5.1
176.35709	5.6
195.13821	5.4
216.92157	4.9
227.12706	21.7
229.14464	6.1
269.17447	47.8
277.21564	16.8
313.27338	74.3
351.25195	21.8
369.26071	7.8
411.34598	7.1
426.32462	4.8
507.40485	66.1
589.48138	17.2
607.49115	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	4.5
53.80415	3.2
53.82984	2.4
55.01861	6.4
55.05507	24.2
57.03436	16.6
57.06802	3.3
57.07067	60.1
67.05496	100.0
69.07063	28.3
70.81938	2.7
71.04976	4.8
71.08622	58.5
73.44837	2.5
74.59850	2.8
79.05486	20.2
81.06599	6.0
81.07044	89.4
83.04984	8.0
83.08605	33.8
85.06526	5.4
85.10180	24.4
89.06027	3.5
91.05472	18.1
92.72818	2.8
93.07034	33.5
95.08602	52.2
96.66608	2.8
97.06508	7.4
97.10173	21.1
99.08095	9.2
105.07027	8.0
107.08595	20.4
109.10149	52.3
111.08073	7.2
117.07046	6.0
119.08591	10.0
121.10130	9.4
123.11671	7.9
125.09611	4.1
131.08568	4.0
133.10124	7.0
135.11682	11.9
147.11688	5.1
149.13239	14.8
151.11139	4.6
159.11728	8.7
161.13248	4.1
165.12740	6.5
169.32622	3.2
173.11732	6.5
179.14375	3.8
179.18318	4.5
195.13838	6.1
227.12758	18.6
229.14352	37.8
239.23528	5.7
259.20535	3.9
269.17468	37.1
277.21576	21.0
295.22598	6.8
313.27356	96.6
351.25327	21.0
369.26303	14.2
384.20370	3.9
411.75150	3.7
467.37271	20.6
507.40335	53.3
588.90332	3.9
589.48309	14.9
607.49072	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22112	18.8
63.97964	19.8
67.05505	26.1
80.34811	24.3
85.02897	41.9
86.09684	44.2
91.70975	30.3
95.08576	26.6
105.25961	25.2
117.07070	24.0
125.00011	29.9
127.11504	25.8
134.84869	27.3
157.57848	30.6
183.27287	23.7
184.07365	100.0
185.28029	26.2
207.34109	26.9
210.60385	25.8
221.47922	24.3
260.83865	28.9
275.60226	29.6
661.35449	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58582	2.0
54.14284	1.8
55.05499	3.2
56.54043	1.8
57.03426	7.0
57.07067	14.1
57.07285	2.0
57.88351	2.1
57.93764	2.1
59.22588	1.8
59.36131	2.3
61.70109	2.2
67.05499	18.4
68.05817	3.4
69.07059	8.1
71.04987	2.3
71.08624	8.6
81.07037	12.4
83.08602	7.2
85.10168	5.9
91.05458	2.5
91.71590	5.8
93.07047	4.5
95.08610	10.4
97.10167	4.0
107.08604	3.0
109.10146	18.1
140.12801	2.3
168.56390	2.3
173.11653	4.4
211.18799	2.3
229.14296	17.8
230.14696	4.0
313.27383	13.9
314.27716	11.8
349.19733	6.2
405.22607	6.8
413.94089	3.1
467.37259	3.8
468.37482	4.4
522.85968	3.5
661.46466	100.0
662.45648	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82904	13.3
61.30145	15.1
67.05476	29.9
69.56008	14.7
71.36465	15.1
77.90070	17.4
84.48515	14.3
109.10121	14.6
153.37227	14.0
271.92514	15.8
275.59540	17.7
292.80380	15.3
349.65472	15.5
661.46259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63594	15.1
55.05500	36.7
57.02004	17.1
57.07066	19.1
59.58509	16.9
67.05494	75.5
69.07060	23.4
79.05491	48.0
79.50962	24.3
81.07053	100.0
91.05470	79.2
93.07050	54.3
95.08604	73.6
96.73634	19.8
105.07027	48.9
107.08593	35.0
109.10098	22.4
112.69106	22.4
117.06956	28.2
119.08588	30.1
121.10139	34.2
133.10170	26.6
155.08611	26.3
169.10114	38.6
184.07410	26.2
196.87599	23.1
213.82646	21.9
220.07747	25.3
431.97189	23.2
477.93353	23.5
625.48047	28.1
661.47382	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60114	9.0
53.00264	12.7
55.05495	32.6
67.05502	61.5
67.98551	12.3
68.69975	11.4
69.07045	41.1
79.05492	27.4
81.07048	74.4
81.72351	9.9
83.08611	22.1
86.09686	37.6
87.04481	18.8
91.05518	22.2
93.07043	27.1
93.60213	11.9
95.08612	38.8
107.08606	23.6
109.10161	19.5
110.93631	13.5
125.00007	21.8
184.07271	100.0
221.76003	14.2
425.29300	16.3
443.30704	13.9
521.42151	94.6
541.95691	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85460	0.4
56.05001	0.8
56.23563	0.5
60.07870	0.5
60.08157	9.1
61.96055	0.5
67.05479	0.6
71.07369	4.5
72.28735	0.4
81.07051	0.7
83.08582	0.5
86.09696	44.2
87.04447	0.6
87.82862	0.5
98.98440	2.5
104.10731	2.9
109.10203	0.6
113.31735	0.6
124.99998	23.8
166.02641	1.3
184.07332	100.0
185.07773	0.7
254.64655	0.6
255.28346	0.6
298.46765	0.7
465.36133	0.6
636.33539	0.6
662.43860	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46545	2.1
57.07063	2.7
60.08141	8.7
64.81998	2.3
66.75277	1.8
71.07363	5.6
71.99102	2.1
74.42188	2.3
86.09702	40.3
87.04429	2.9
91.71655	2.6
98.98480	3.0
104.10755	3.4
121.81358	2.3
124.99979	18.4
128.03078	2.4
134.92570	2.5
166.02702	2.7
184.07330	100.0
184.08929	5.3
243.94348	3.1
341.53329	2.6
345.64548	2.5
355.69681	2.5
356.95215	3.3
616.31573	3.7
662.43414	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59081	2.0
54.69390	2.4
55.05460	2.0
57.06342	1.8
60.08148	6.2
71.07367	4.6
81.07042	4.6
86.09702	40.9
87.04462	3.9
98.98460	3.9
100.30234	2.4
104.10738	3.5
112.56799	2.7
124.99988	22.9
139.83842	2.6
184.07330	100.0
187.38589	2.9
662.44220	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60161	3.6
60.08150	7.2
63.91236	4.0
71.07373	4.9
86.09698	44.2
94.60294	6.0
125.00005	21.0
135.71010	5.0
184.07359	100.0
219.21173	6.0
327.48605	5.9
440.73022	5.3
496.10825	6.4
604.52783	7.7
614.78406	6.0
687.25244	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41269	1.6
55.05471	2.1
60.08147	9.0
66.35928	1.9
67.05475	2.9
82.95934	2.1
86.09697	33.3
91.20475	2.3
95.05039	2.6
125.00018	16.1
125.00877	3.5
128.44615	2.5
129.36606	2.5
184.07335	100.0
209.00943	2.6
220.71533	2.2
387.52756	3.2
429.76495	2.8
443.57904	2.8
454.85623	2.8
662.44025	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	33.9
56.03652	11.6
56.56898	11.0
57.95494	11.3
63.94193	12.2
67.05500	100.0
69.07093	26.0
79.05494	29.9
81.07069	61.6
83.08628	34.0
86.87053	16.5
87.04497	43.0
91.05497	49.3
93.07065	54.8
95.04950	21.6
95.08608	41.7
105.07030	17.7
107.08577	21.0
109.10210	35.1
116.10350	17.5
121.10182	46.7
147.11665	18.4
174.90474	17.2
275.19922	17.6
404.93735	17.3
486.58771	20.9
514.06268	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41170	12.4
52.97067	12.0
55.01877	12.8
57.03425	13.7
59.98450	10.9
61.02919	19.9
66.55334	11.5
66.90092	11.3
67.05487	53.9
69.03400	14.0
69.07015	20.8
69.39018	12.4
77.83826	11.9
79.05468	27.3
80.01269	11.4
81.07040	41.5
85.02888	24.6
86.09712	15.1
91.05460	47.5
93.07037	39.3
95.08593	33.4
97.02910	24.6
105.07011	41.5
107.08593	20.1
114.82228	14.3
117.07040	17.4
119.08585	28.6
129.06981	19.9
131.08568	33.8
133.10138	28.0
143.08601	19.4
175.11110	21.5
175.58514	14.0
184.07381	33.3
197.38242	15.5
201.97633	18.1
209.13420	15.5
381.11417	17.3
391.30063	18.6
483.34546	24.3
501.35342	100.0
663.45215	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07039	33.0
57.54338	22.6
69.91462	21.7
87.04447	36.1
94.42937	25.8
100.29571	23.7
112.17193	24.2
174.24942	33.5
201.89636	27.8
226.87834	31.2
248.10149	30.9
269.27246	32.9
278.94135	33.7
419.41779	29.0
663.42603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.48
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72783	7.6
57.07064	19.5
67.05488	16.4
79.05489	15.6
81.07059	21.8
91.05490	26.4
95.08572	15.7
102.71557	9.0
105.07049	12.2
117.07011	13.1
119.08649	11.3
122.72255	10.4
145.10088	12.3
147.30777	9.7
165.17216	10.9
241.96169	11.4
264.62372	10.5
270.98065	11.2
300.80249	11.3
327.07742	16.7
351.21448	17.3
407.24118	21.7
458.71249	14.0
512.52484	12.1
565.26770	12.6
663.48016	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	10.1
62.08083	3.1
67.05515	7.9
69.07095	4.7
79.05521	3.9
81.07061	7.8
81.25111	3.2
83.08643	4.3
95.08618	4.4
131.08693	3.8
140.65889	4.2
148.60449	4.4
169.83957	4.1
184.07439	4.9
287.59457	3.8
351.21710	9.9
663.48053	100.0
664.48553	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	10.9
67.05475	10.7
67.44965	5.1
71.08627	8.6
81.07028	10.8
93.07016	7.0
95.59323	7.2
107.08562	6.1
111.29186	6.1
134.97539	6.4
202.08791	7.5
216.02991	6.5
218.64346	7.2
279.77420	8.2
372.57227	7.0
493.99390	8.2
663.47870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
68.61342	22.2
69.03418	30.8
69.07041	27.1
77.56514	22.5
85.02865	36.3
89.06008	70.8
91.70937	39.1
93.07047	22.4
100.27276	20.7
121.06510	98.1
127.03896	34.6
130.08838	27.3
133.06511	53.8
133.08572	47.2
165.09007	29.8
175.11208	51.1
177.11198	35.3
231.17474	43.7
271.15390	85.3
275.20221	54.9
322.78824	30.9
381.26300	100.0
399.27319	30.0
562.91620	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07153	1.4
57.07051	2.1
60.08155	11.4
63.85067	1.8
66.04659	1.7
67.05473	2.5
71.07353	7.9
81.07043	2.8
86.09695	43.0
92.77916	1.9
98.98468	2.7
104.10751	3.0
116.03984	2.0
124.99976	25.1
131.91600	2.1
173.76971	2.0
184.07323	100.0
223.12354	2.0
347.91803	2.1
350.34454	2.4
664.45264	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13342	1.6
54.63225	1.9
59.28092	1.8
60.08145	8.1
67.05496	2.7
71.07350	2.7
74.87468	2.2
80.37030	1.8
81.07090	2.2
86.09692	40.8
87.91261	1.8
91.70990	3.4
95.08567	2.4
98.98463	2.5
104.10705	2.5
124.99982	20.1
184.07323	100.0
266.19098	2.3
267.95102	2.2
342.73785	2.5
545.12030	2.6
664.45197	5.9
665.44739	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08142	12.7
63.53036	3.0
63.92825	3.6
65.48904	2.7
67.05523	2.7
71.07347	4.5
76.69692	3.7
81.07027	3.1
86.09697	39.9
89.99826	3.2
112.16270	3.3
115.02777	3.2
125.00006	20.5
166.29091	3.3
184.07323	100.0
204.30658	3.5
254.33295	3.7
360.69403	3.4
525.77881	4.2
664.44507	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54871	4.4
55.05501	11.7
57.03418	15.5
57.07073	33.0
59.05008	6.8
63.54942	5.1
67.05497	100.0
71.08617	26.2
72.23731	6.1
80.81878	5.2
81.07050	21.9
83.08606	13.3
85.02913	7.8
85.10189	11.6
91.71672	14.6
93.07047	6.3
95.08599	24.0
109.10158	77.2
119.08511	8.7
121.07486	5.9
170.02643	6.0
173.11703	17.0
224.57591	7.1
228.57176	6.7
229.14334	91.9
313.27277	67.7
373.49933	8.3
467.37378	51.6
682.61792	10.2
694.39276	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.5
55.05494	10.3
57.03437	19.8
57.06803	2.9
57.07068	39.7
59.04984	4.1
61.02909	7.1
61.18775	2.3
67.05496	100.0
69.07051	9.5
71.08633	23.3
81.07043	33.0
83.08601	16.5
85.02894	6.6
85.06529	3.9
85.10178	19.3
86.09678	4.8
88.64064	2.7
89.06019	5.4
90.91091	2.6
91.03940	4.1
91.05462	7.5
93.07036	5.1
95.08595	27.4
97.02893	3.1
97.10162	5.4
97.36220	2.5
109.10153	86.1
110.53758	2.6
111.08063	3.2
119.08568	6.1
123.11668	3.9
125.00026	2.8
131.00154	2.9
137.09579	3.5
155.10690	7.9
173.11688	17.3
184.07335	9.3
229.14330	89.2
271.21204	3.0
313.27322	80.4
467.37250	82.3
512.71539	3.3
557.95050	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16852	4.5
56.72887	4.4
57.06794	9.2
57.07066	100.0
57.77353	5.1
81.07057	7.3
87.04457	23.3
89.06022	95.1
91.05482	14.0
93.07026	12.4
98.16627	5.1
102.48301	5.2
119.08575	11.1
121.06490	26.2
127.60301	5.1
130.08644	18.9
131.07033	15.8
133.08588	57.6
134.81490	5.4
135.11623	5.6
139.32573	4.9
147.08049	13.9
149.99022	6.0
153.33026	6.5
159.21696	5.0
165.09088	12.6
171.23315	8.5
177.11252	22.8
228.96066	5.7
233.19011	21.0
277.21661	23.2
349.59821	6.5
354.42197	6.4
475.51196	7.3
493.06564	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	26.1
57.07060	27.3
67.05489	100.0
69.07047	29.1
80.31769	20.4
81.07048	90.5
88.80630	18.7
90.03851	22.9
91.05472	46.1
93.07031	44.8
95.08611	51.1
102.06834	22.9
105.06996	18.9
107.08585	22.5
109.10133	25.5
117.06971	19.8
131.21339	22.1
167.09798	22.8
259.17706	25.0
276.90637	23.1
324.73294	22.8
325.99509	32.0
337.27313	41.3
664.48041	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41743	5.6
60.08165	5.7
67.05484	13.0
81.07029	7.0
81.83571	6.2
86.09666	40.3
125.00005	20.4
184.07353	100.0
185.07652	13.3
215.52965	8.5
244.59067	9.6
308.25290	10.4
665.38641	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02831	3.6
50.12213	4.3
52.94547	3.8
56.65882	4.0
67.05495	11.8
68.50440	4.0
72.08093	5.3
91.71711	11.3
95.08617	6.8
105.06996	4.8
142.28922	5.7
210.16006	7.3
251.24672	6.1
257.64398	5.1
339.31064	8.5
353.23096	8.7
357.62286	5.9
401.11703	7.4
550.87408	5.6
665.49945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.496
Annotation	Unknow
Peak:m/z	Relative Intensity
66.51053	4.9
67.05491	7.9
71.47723	4.9
85.99011	5.0
89.56004	4.9
91.71655	6.7
95.07603	4.5
95.08607	7.5
107.82618	4.1
210.16023	8.4
229.02455	5.0
358.69296	5.8
371.46265	5.4
665.49500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	2.6
57.31124	2.0
60.04520	5.3
62.82001	2.3
68.05028	3.8
68.33382	2.2
69.03418	9.2
70.06601	5.4
80.05028	2.5
81.03406	9.2
82.20899	2.4
84.04498	71.2
85.02916	4.1
87.00802	3.2
96.04494	21.3
97.02876	8.4
98.06051	12.8
106.77670	2.6
108.04486	3.1
109.02889	5.1
126.05503	73.8
127.03889	8.7
127.05846	3.2
138.05495	100.0
144.06554	20.0
160.70439	3.3
168.06549	24.1
176.93301	2.8
183.18245	2.9
186.07614	43.1
204.08694	8.1
222.98871	3.0
251.66951	4.1
251.86928	3.3
311.65079	3.2
337.38687	3.3
418.24396	31.0
591.10809	3.3
600.24097	3.7
664.28717	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80911	4.5
58.97844	5.4
59.90076	5.4
67.05524	9.3
80.67731	6.1
81.07064	9.1
83.08588	7.8
84.04494	100.0
84.08124	10.2
85.02907	7.9
95.01465	6.6
95.08585	14.1
97.60335	5.8
102.05527	42.5
108.86598	5.6
115.95840	7.4
123.54581	7.3
130.05003	68.3
148.06061	64.8
176.03813	6.4
193.46182	6.8
217.00256	6.6
242.54558	6.7
261.97659	7.9
311.62552	6.9
325.48441	8.4
325.62625	6.9
382.25964	18.2
387.92807	7.2
400.26886	65.8
491.90582	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	28.2
58.26626	11.0
62.52061	12.8
62.82714	11.2
69.11324	13.9
76.92228	14.6
86.09692	100.0
91.70998	17.8
103.42922	13.5
103.92319	13.4
104.05312	95.0
123.42879	14.9
126.76862	12.9
127.98650	14.1
186.01500	15.2
245.09624	38.7
270.21085	14.5
298.71933	16.5
298.75238	17.1
358.17676	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34087	38.4
55.59692	32.8
61.02952	60.0
65.39391	35.0
67.05499	75.9
73.22038	32.5
79.05496	86.1
81.07066	70.3
85.02909	73.1
89.72720	37.1
93.07034	70.9
95.08639	55.2
105.06982	40.8
121.10135	50.0
135.11678	66.3
233.19109	100.0
400.22220	40.7
598.13763	59.9
629.17017	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50697	1.0
60.08155	9.1
62.46162	1.1
69.46855	1.2
71.07369	6.1
76.48373	1.1
84.55152	1.3
86.09696	43.9
96.76444	1.2
98.98474	3.6
104.10759	3.3
119.62445	1.1
121.18075	1.1
124.99994	21.2
138.45044	1.6
138.93755	1.3
147.55577	1.1
152.83865	1.5
165.44801	1.7
168.33987	1.3
184.07330	100.0
184.29878	1.3
351.13492	1.4
444.82190	1.5
460.71225	1.5
606.02917	1.5
664.17438	1.5
666.43115	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95429	2.1
53.20779	1.9
57.78923	2.3
59.35279	2.0
60.08139	8.9
62.79132	2.3
67.05475	4.4
71.07351	5.0
71.24746	2.2
75.15550	2.3
86.09697	40.9
98.98367	3.0
104.10728	3.2
125.00018	14.3
131.00458	2.8
154.13173	2.7
182.44054	2.8
184.07326	100.0
184.08936	5.9
256.88470	3.6
648.41882	4.9
666.42426	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	100.0
57.07054	46.8
60.14283	31.7
67.05479	72.2
69.07045	92.4
71.08627	38.0
79.05493	48.0
81.07060	98.6
83.08615	58.0
89.74130	31.7
91.05441	55.0
91.71712	36.2
93.07015	71.0
95.04963	50.4
95.08603	91.6
107.08578	54.1
109.10107	37.9
111.28914	34.4
121.10103	38.2
135.11755	42.4
138.24199	40.7
154.83815	36.4
275.20218	48.0
353.26767	44.6
463.41046	53.7
613.08002	45.7
680.58594	55.1
681.51953	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12691	8.4
52.01742	8.5
52.42364	9.5
55.05497	12.2
57.03418	21.1
57.07070	51.2
64.25893	9.3
67.05486	35.0
67.39268	9.8
69.07047	11.7
71.08622	59.8
71.25086	8.9
79.05469	28.0
81.07055	35.3
83.08587	24.7
85.10178	15.3
85.67341	8.4
91.05457	40.0
91.71661	12.3
93.07036	17.9
95.04925	12.4
95.08599	30.9
99.08103	11.6
105.07014	24.2
109.10152	17.3
115.05377	10.7
117.07030	38.5
119.73038	9.3
129.06999	16.6
131.08603	21.0
141.06996	14.8
143.08514	10.8
145.10208	12.8
166.69270	11.7
187.11142	14.5
229.16460	13.8
313.27371	100.0
373.79556	11.6
495.53955	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37672	14.4
53.23756	15.7
55.05497	35.5
57.03416	29.2
57.07064	26.8
65.40044	20.7
67.05488	73.9
69.07043	61.5
77.47355	18.2
79.05486	48.0
81.07053	100.0
83.08602	33.0
86.09689	23.8
91.05487	44.0
93.07045	53.6
95.08612	47.5
103.96236	19.7
105.07008	32.7
109.10162	25.9
121.10092	24.0
130.01984	21.7
133.10126	20.3
149.13266	30.1
157.17030	22.5
166.34578	21.3
249.01610	27.2
275.19952	25.6
313.91367	23.1
339.28946	37.1
443.86044	24.3
533.41791	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48743	6.7
63.72996	8.0
67.05467	10.3
70.95337	7.2
71.08648	8.2
85.34789	7.3
91.05462	8.1
93.07027	13.3
95.11882	8.3
141.71002	8.6
172.49103	8.3
317.20886	12.6
361.75482	9.7
373.23679	14.7
499.69653	9.9
541.80121	9.8
667.45355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29924	6.9
63.27514	7.6
67.05486	9.7
71.09730	6.8
79.05486	7.1
81.07061	7.7
93.07019	10.9
95.08499	8.1
105.07121	7.7
119.08691	7.8
136.14172	10.7
218.40349	9.0
233.26047	9.2
322.72559	10.0
359.86255	9.4
368.63217	9.7
667.45612	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.2
60.96016	3.4
67.05516	12.8
69.07095	5.3
69.31837	3.3
71.08621	4.3
72.15039	2.9
74.32088	3.5
77.79054	3.4
78.12409	3.4
78.55968	3.2
79.05502	4.7
81.07074	7.9
87.68941	3.3
91.05508	6.9
93.07052	8.8
95.08638	4.7
104.58025	3.5
105.07070	4.4
107.08592	5.8
121.10197	5.6
122.51130	3.8
136.07382	3.7
176.85982	3.9
193.26137	4.1
317.20914	19.2
373.23746	12.5
436.32407	5.5
499.75348	4.3
541.64630	4.8
553.86542	4.6
667.45349	100.0
668.45685	5.2
682.04041	5.4
682.15973	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.1
61.02915	5.7
64.41589	3.1
64.87901	3.1
69.03406	14.9
76.42227	3.1
81.03397	5.4
85.02897	100.0
91.03938	5.6
91.05463	4.4
97.02891	32.1
102.65567	3.4
109.02887	7.2
110.10159	3.3
119.04951	11.6
124.11720	3.3
127.03902	27.4
128.55138	3.6
145.04950	50.0
147.04405	82.2
147.78224	3.2
163.06027	18.2
165.05490	21.3
168.06505	3.9
201.70583	3.4
204.08736	8.3
206.89871	4.0
227.59714	3.5
325.11127	12.5
545.89374	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72561	5.0
51.90200	5.6
55.05516	14.7
57.03455	8.2
57.07065	14.3
61.02930	25.8
67.05495	76.1
67.05778	6.7
69.03427	10.8
69.07078	15.3
73.02936	11.2
79.05511	14.3
81.07050	100.0
83.04997	6.3
83.08636	11.4
85.02907	29.6
90.00094	5.9
91.03980	23.2
91.05512	19.6
93.07070	22.7
95.08596	74.3
97.02917	13.5
97.10185	8.6
105.07040	16.6
107.08643	8.8
109.10182	16.6
119.08615	19.0
121.10171	18.4
123.11699	15.7
133.10161	21.2
135.11745	21.6
137.13289	19.9
145.05014	11.5
147.11754	10.7
151.14850	13.7
154.24529	7.8
160.50528	6.8
160.86812	7.3
161.13300	17.4
163.06055	18.5
170.62036	7.0
180.59572	8.1
212.20457	6.9
217.19446	60.5
235.20531	99.4
309.24081	37.0
327.25394	15.6
343.29373	7.5
665.47156	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42347	1.5
60.08147	9.0
71.07367	2.0
81.07057	1.8
86.09180	2.4
86.09694	42.9
90.51973	1.7
98.98472	3.6
104.10724	5.3
111.29674	1.9
116.73428	1.5
124.99982	20.1
184.07329	100.0
186.63460	1.9
204.74496	1.8
233.29021	1.8
340.39050	1.7
628.18396	1.8
632.38751	5.5
646.51282	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	37.0
57.07051	13.5
65.52583	11.6
67.05491	100.0
69.07046	41.9
71.08602	15.7
73.09845	11.4
79.05494	33.8
81.07042	75.8
83.08615	23.1
91.05472	28.8
91.71631	26.7
93.07029	41.9
95.04948	19.2
95.08602	38.3
97.10120	17.1
107.08599	20.7
109.10155	25.0
120.72521	13.1
121.10122	32.8
122.35990	11.1
133.39771	13.4
164.79231	13.3
223.19366	13.1
296.93851	16.8
338.93533	14.7
339.29089	36.8
361.76025	16.6
533.41528	94.6
584.20135	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2766
Annotation	Tejedine
Peak:m/z	Relative Intensity
56.85045	11.4
63.30021	9.8
67.05501	11.7
91.71104	18.3
110.06105	11.0
136.07495	14.6
138.09225	19.4
146.09691	37.6
165.09123	14.1
174.09215	17.8
180.06537	13.1
202.07260	15.1
217.09789	40.0
220.09753	36.9
231.11288	23.8
233.09256	26.7
235.10864	27.7
241.09682	16.8
257.09360	29.9
259.10904	27.4
261.08691	100.0
287.10300	25.3
301.61926	13.6
313.08350	21.4
376.28290	13.8
432.17502	63.8
470.01260	14.4
502.17920	58.6
514.72479	15.1
651.26398	93.9
669.27203	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20588	17.4
70.06580	33.3
81.06597	19.5
84.04488	21.8
86.09684	23.7
100.57986	21.8
120.67377	21.9
138.09158	100.0
174.94003	22.2
206.52448	22.2
216.89943	24.9
235.10866	38.9
261.08755	88.5
314.19376	22.3
339.56000	32.8
342.08478	26.6
359.47641	23.6
432.17624	27.3
651.27167	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01548	5.7
51.04673	6.0
57.74734	5.0
70.06594	13.2
71.96436	5.9
75.38592	6.1
79.05580	7.2
79.60236	6.6
84.04521	22.6
93.07079	8.5
94.06528	7.6
96.08140	18.2
110.09697	18.3
120.08156	20.1
122.02783	21.8
130.05022	8.5
133.72130	8.4
138.09126	100.0
150.26932	7.6
240.19083	8.0
265.06558	7.6
302.69052	7.4
359.08813	7.8
503.78271	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59754	10.3
54.66123	11.4
57.07080	16.8
60.25564	11.0
62.90247	10.9
67.05499	30.9
69.07045	17.9
71.08619	26.2
85.02920	17.6
91.05472	27.1
93.07063	17.6
95.08628	17.8
105.07011	12.7
109.10133	12.8
131.08607	14.8
150.68564	12.1
164.62587	13.2
169.43935	13.1
171.68767	13.9
212.51819	16.0
262.50143	13.7
281.68811	15.7
358.10114	18.8
608.38068	15.8
669.41840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59754	10.3
54.66123	11.4
57.07080	16.8
60.25564	11.0
62.90247	10.9
67.05499	30.9
69.07045	17.9
71.08619	26.2
85.02920	17.6
91.05472	27.1
93.07063	17.6
95.08628	17.8
105.07011	12.7
109.10133	12.8
131.08607	14.8
150.68564	12.1
164.62587	13.2
169.43935	13.1
171.68767	13.9
212.51819	16.0
262.50143	13.7
281.68811	15.7
358.10114	18.8
608.38068	15.8
669.41840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98834	6.6
58.69806	7.2
73.24349	7.0
86.09694	17.6
87.94347	9.3
90.19453	9.4
91.05494	8.4
91.71732	19.1
184.07362	72.9
185.07779	15.3
442.71918	10.7
669.41791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.47
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71375	3.5
67.05492	15.1
67.89429	4.2
81.07040	10.8
82.42828	3.6
93.07031	8.7
95.08613	6.4
113.49759	3.8
117.65366	4.8
153.05363	3.8
190.51270	3.8
262.46942	5.1
317.20847	15.6
378.52170	4.9
399.73895	5.2
669.46997	100.0
670.47345	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.4
62.74213	5.2
63.82919	6.2
67.05490	18.4
69.07046	19.3
70.66353	5.1
71.08621	9.5
79.05480	14.4
79.78916	6.6
81.07052	13.6
91.05465	14.6
91.71625	8.6
93.07032	12.7
95.08606	21.8
107.08558	11.0
108.52837	6.0
118.07366	8.1
135.11624	7.8
156.99486	6.7
195.73654	6.3
432.72290	7.8
570.38782	8.9
669.46936	100.0
670.47552	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80618	3.3
53.63668	3.7
53.74189	3.5
55.27952	3.5
56.15430	3.8
58.06580	15.7
59.07376	6.1
60.08157	100.0
64.06760	4.1
64.98222	3.8
69.03405	6.6
70.06581	5.1
82.74276	4.0
85.02900	5.0
90.72453	5.0
92.08790	4.3
93.00013	4.5
97.06528	7.2
106.73494	4.5
113.88504	4.5
130.06541	5.8
144.08116	7.1
147.04353	5.7
154.06540	7.8
156.08131	7.8
159.24725	4.5
170.06007	5.3
171.09267	5.3
182.06027	7.1
184.07646	6.9
185.07063	6.0
229.15509	13.9
313.86197	5.3
352.57092	6.6
435.42484	5.3
490.25018	9.0
670.31549	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33496	9.5
55.05493	27.1
57.03424	17.5
57.07054	11.2
61.02918	21.8
67.05490	63.9
69.07068	65.3
73.02899	14.0
75.15484	9.3
79.05441	13.5
81.07039	70.7
83.08609	55.0
85.02887	40.4
91.03960	25.9
93.07027	38.5
95.08591	48.3
97.02885	19.8
97.10152	18.3
107.08599	28.3
109.10146	19.3
121.10153	51.2
135.11702	39.7
137.13245	11.8
149.13316	23.6
163.06038	12.0
164.21956	11.5
219.21089	28.6
237.22108	87.9
249.28203	12.4
255.23245	20.5
269.25171	13.7
271.06110	13.5
311.25903	100.0
329.26709	63.2
447.62775	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86453	7.8
54.00799	8.4
55.05507	53.3
55.05719	7.8
57.07064	26.0
61.02916	47.7
67.05495	70.2
69.07062	69.6
73.02920	12.9
79.05498	21.3
81.07045	64.4
83.08602	68.8
85.02897	65.5
91.03942	38.2
91.53036	9.7
93.07036	45.5
95.08595	63.0
97.02878	23.1
97.06510	20.4
97.10184	40.1
107.08581	30.6
108.09014	9.5
109.10148	24.3
112.60928	10.9
121.10132	85.4
123.11742	26.5
127.03938	18.0
128.26570	10.2
135.11691	47.6
137.13249	16.8
145.04985	18.6
149.13252	24.1
154.92555	11.2
163.05960	13.2
219.21027	54.5
226.23187	12.0
237.22159	100.0
255.23160	31.2
311.25775	84.6
329.26770	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16159	5.4
68.92593	4.9
70.75655	5.5
102.56001	5.5
110.62183	5.5
167.95355	5.4
186.79617	5.8
224.25294	6.2
254.78909	6.0
345.46838	6.3
408.81396	6.9
509.27197	16.7
515.91241	7.2
537.27466	7.3
561.66595	7.8
671.32538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
73.50156	13.4
74.61028	13.6
81.07035	17.3
90.15936	14.4
102.34368	15.3
173.15987	19.4
208.82962	16.4
217.98260	15.9
339.08960	15.3
466.79877	18.2
671.48279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07053	10.2
65.04387	6.2
81.07052	9.0
95.08594	9.3
104.19775	8.1
110.95928	8.3
119.69036	6.9
128.83524	8.6
215.22906	9.1
216.51448	9.0
359.21890	15.3
671.48431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56459	11.9
62.39365	11.3
67.05495	16.9
77.52271	11.2
77.59901	10.3
144.93011	13.9
151.87868	13.6
153.78180	12.9
166.39972	14.1
188.58263	15.5
188.84938	13.9
340.68399	15.0
400.04953	14.6
671.48645	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01225	4.5
54.86919	4.7
55.05503	8.4
55.91277	5.4
57.20140	4.7
63.97301	6.3
67.05489	19.7
69.07036	6.6
71.08640	8.5
81.07039	20.8
82.80472	5.7
95.08594	13.3
108.43886	6.6
117.21947	7.3
143.82622	7.1
174.19611	6.6
337.26636	7.4
539.28784	8.3
593.24939	9.0
643.57147	8.0
671.48352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78100	13.5
58.12138	12.7
59.14000	13.4
63.98068	18.1
64.24513	14.2
102.20694	14.9
116.83590	16.3
297.12384	50.4
299.13943	66.3
311.10770	20.8
332.33984	17.8
672.30310	100.0
679.50238	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.6
55.05494	4.8
56.31768	1.1
57.03423	6.6
57.07067	56.6
61.02642	2.0
61.02915	18.9
62.73143	1.3
64.52951	1.5
67.05489	16.7
69.03417	3.3
69.07048	11.5
69.99725	1.5
70.48195	1.5
71.08620	48.4
73.02923	8.2
75.04465	2.8
76.97259	1.3
81.03402	1.5
81.07056	24.9
83.08604	16.2
85.02897	27.5
85.10172	25.0
86.00006	1.3
91.03939	20.2
95.08596	33.9
97.02882	14.7
97.10188	7.1
109.10139	15.3
111.11763	2.2
123.11651	8.3
127.03929	7.6
137.13232	3.5
145.04956	8.6
163.06009	11.3
168.06564	1.8
204.08797	1.8
239.23694	20.1
298.27518	5.1
303.63297	1.8
313.27332	100.0
314.27750	3.5
316.65234	1.6
330.36508	1.5
331.28397	43.9
348.31131	1.7
350.97754	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.1
57.07063	17.2
57.80904	7.0
57.92729	7.8
67.05499	54.0
69.07072	9.1
71.07356	13.1
79.05482	10.4
79.39668	7.9
81.07048	29.8
85.10181	13.4
86.09702	100.0
87.59924	7.5
95.08591	16.0
97.10190	10.2
108.67848	9.3
109.10159	32.9
121.80746	9.4
122.80131	9.5
125.00024	13.1
144.44908	10.7
146.98232	30.8
163.36903	9.7
184.07352	63.2
212.96950	9.4
213.21661	9.5
408.05017	10.6
448.55441	10.5
483.37146	12.1
489.35580	46.7
613.34912	72.0
672.41815	33.6
684.73492	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93787	2.3
56.18506	2.9
56.53390	3.1
60.08153	10.0
61.53049	3.1
67.05492	5.0
70.54718	2.7
85.02706	2.4
86.09701	43.2
87.04455	7.1
95.08607	3.9
98.98415	3.8
124.99990	24.6
131.08624	3.3
139.37297	2.8
184.05730	6.3
184.07335	100.0
189.07568	5.6
296.01956	3.0
411.19257	3.7
672.42377	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09652	3.0
58.55587	3.0
60.08152	5.9
67.05492	4.9
70.06211	3.2
71.07370	6.6
86.09700	43.7
88.44357	3.4
104.10800	3.4
111.34573	3.4
124.99973	24.1
138.20929	3.5
139.97716	3.5
149.83871	3.7
184.07344	100.0
217.64714	3.8
297.51407	4.1
425.59012	4.3
593.47186	4.1
672.41724	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25324	8.7
53.82350	8.5
55.05497	39.3
57.07066	28.1
59.65448	10.8
62.24838	11.2
67.05502	100.0
69.07081	11.9
71.08631	29.3
71.21455	11.3
81.07063	19.0
83.08611	25.9
89.06013	32.1
97.10155	53.5
107.08604	23.1
109.10152	61.1
125.09627	50.6
133.08588	27.1
171.36948	12.5
189.11261	15.1
206.36168	13.6
227.12833	52.6
241.14604	12.0
381.22574	27.3
399.23856	50.0
467.37210	26.1
637.46265	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71813	9.2
55.05499	44.6
57.07051	28.2
60.13505	9.8
67.05493	100.0
69.07051	13.3
78.14609	11.1
79.05495	14.8
81.07066	29.3
83.08607	42.6
89.06023	25.8
95.08598	21.5
97.10149	63.0
109.10156	67.7
111.08124	11.8
118.97050	11.9
118.99367	12.0
125.09657	44.0
133.08647	23.8
135.35100	11.4
136.57167	15.6
189.11198	16.0
190.14406	12.4
226.91644	13.6
227.12672	74.1
381.22736	16.1
399.23874	74.6
467.37030	44.5
483.36597	36.8
512.60022	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22316	19.4
55.57894	16.7
63.89478	23.3
70.06553	27.4
91.71568	27.1
91.93984	18.9
102.05707	18.3
112.42373	18.2
126.60233	23.1
145.57922	22.7
181.49007	21.6
550.49402	25.6
655.20343	100.0
673.22681	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38046	4.7
55.72293	4.6
56.73485	4.4
58.00271	4.3
59.68107	4.3
83.71755	6.0
205.74297	7.0
292.60336	7.3
464.12180	11.4
507.14029	9.7
510.15790	8.2
543.33612	6.8
668.08789	7.3
673.22418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96764	3.4
59.88518	3.8
61.33923	4.0
77.59629	3.9
80.55193	4.1
82.79923	3.8
102.11224	4.4
107.20200	3.9
124.87891	4.1
134.86832	4.4
175.23305	4.9
177.92996	4.9
308.30075	5.4
392.30978	5.2
431.03574	5.2
464.12259	9.7
507.13721	11.2
510.15952	8.6
655.21509	5.9
673.22473	100.0
674.22412	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28084	6.0
56.96547	9.5
68.62963	5.3
75.34918	5.6
91.28948	6.5
163.39183	7.0
464.12341	10.9
507.13718	11.8
557.65912	8.1
594.39075	7.8
605.05176	8.3
673.22137	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
79.45793	4.1
91.71750	5.0
98.42598	3.7
141.21193	5.0
156.29161	4.8
183.98955	4.8
201.68175	4.1
237.79355	4.9
246.55872	6.0
289.30435	4.8
295.74252	5.3
308.49799	5.2
345.84155	4.8
464.11996	9.6
507.14050	15.8
673.22369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.341
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
51.87641	6.3
58.77037	7.1
59.64529	6.4
66.83768	7.0
70.30161	7.0
70.81997	6.9
76.53616	9.0
89.89221	8.6
91.79538	8.2
117.12882	8.1
234.51297	9.2
314.42554	8.4
315.09918	9.5
511.28629	13.0
673.33820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05583	6.7
55.01857	13.5
55.05495	29.7
57.03422	14.8
62.19714	7.3
63.33577	8.3
67.05495	90.8
69.03433	10.9
69.07047	31.5
70.84509	10.3
71.04999	9.5
79.05485	36.9
81.03418	22.0
81.07048	100.0
83.04926	12.3
83.08610	15.6
84.60172	8.6
85.02891	16.7
91.05469	70.3
91.71595	14.2
93.07043	52.4
95.04969	26.1
95.08582	54.5
97.02884	10.0
97.06517	13.6
105.07033	86.8
107.04955	11.9
107.08562	32.6
109.06445	8.2
109.10168	20.6
117.07016	19.1
118.72249	9.2
119.08557	32.2
121.10154	12.6
124.68969	9.1
129.06999	20.6
131.08621	31.2
133.06502	14.8
133.10126	40.8
141.07022	11.1
142.07759	10.8
143.08548	24.0
145.06499	12.4
145.10104	23.9
147.11632	15.2
155.08508	11.0
157.10158	28.6
159.08061	12.4
159.11731	13.2
159.13271	10.1
169.10138	13.0
171.11671	20.6
173.09616	9.8
175.11200	21.1
180.09348	11.9
187.11237	14.9
199.11214	26.4
223.10959	13.4
241.12003	10.6
253.11967	10.2
277.14450	11.2
337.27350	42.1
363.98328	10.8
543.11780	11.0
673.43225	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.501
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61361	13.2
89.57220	11.0
93.53078	10.9
101.59689	13.3
132.39560	14.5
135.43726	12.4
136.68114	11.9
138.33559	12.1
142.91968	12.9
169.70662	13.9
180.59366	12.4
189.78902	11.4
203.34648	11.1
239.17300	13.3
244.43655	12.5
298.65997	13.7
335.21747	16.1
568.54938	15.1
673.50092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67309	16.7
59.43029	20.3
116.11309	20.1
122.09652	100.0
191.68341	23.3
248.84074	24.0
260.77203	24.5
267.54791	26.3
294.01535	23.6
372.16183	26.8
551.25696	29.2
560.79346	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91573	8.1
79.18289	8.5
86.09673	13.8
91.71623	8.9
104.10757	16.3
149.02356	81.4
171.13432	9.9
184.07271	14.4
192.70389	9.4
193.04941	100.0
200.53000	10.0
237.07607	23.9
311.45932	11.1
341.06354	25.0
359.08215	12.7
385.09058	37.7
429.11856	89.1
560.47778	11.3
625.11267	13.3
674.35504	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.4
56.05027	6.5
57.07062	16.1
67.05480	5.2
70.06584	100.0
77.60683	4.7
83.04987	31.0
88.07593	12.1
90.99454	7.6
91.05460	6.8
98.98441	7.4
117.00997	6.6
119.08612	7.0
120.79758	7.4
133.57254	6.4
134.03650	15.4
147.11708	8.9
152.40059	6.3
173.14444	6.2
181.02583	50.7
215.64722	5.6
222.05396	8.1
224.23790	16.6
226.09517	7.5
313.11899	7.1
636.70978	7.2
674.39105	86.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40362	2.4
53.08939	2.3
54.45625	2.5
56.21164	2.4
56.77094	2.3
58.46507	2.5
60.08162	7.9
64.88788	2.2
67.05481	5.0
71.07362	5.3
80.61742	3.1
84.03068	2.7
86.09692	38.1
88.48884	3.0
93.07072	4.2
103.29594	2.9
105.78465	2.7
110.23668	2.7
115.64483	2.9
125.00025	24.0
143.90047	3.2
179.31512	3.8
184.07324	100.0
223.59853	3.5
336.52875	3.2
485.49609	4.0
683.14252	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68630	0.8
56.05010	1.2
58.16266	0.8
60.08152	8.4
62.62287	0.9
67.05499	1.2
69.09665	0.8
70.51055	0.9
71.07354	4.4
72.84901	0.8
81.07048	1.1
83.68819	1.0
86.09694	45.3
98.98454	4.7
104.10737	3.5
124.99989	20.1
130.80498	1.0
184.07327	100.0
186.17995	1.0
224.89763	1.1
292.80441	1.0
386.05588	1.2
433.88058	1.2
471.19547	1.0
504.44705	1.0
538.99268	1.2
674.43396	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59657	0.6
56.64492	0.6
56.84160	0.6
58.06599	0.8
60.07914	0.7
60.08156	9.4
67.05497	0.8
67.31756	0.6
71.07364	4.4
75.98067	0.8
81.43634	0.7
86.09698	42.1
89.06007	1.2
91.05438	1.1
91.71062	0.8
98.98454	2.5
104.10767	3.6
124.99996	23.5
163.94028	0.7
166.02641	1.1
184.07333	100.0
225.25117	0.8
244.15836	0.7
326.08420	0.8
674.44171	5.7
675.43048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16366	1.7
52.72517	1.5
60.01852	1.5
72.04507	2.7
74.71836	1.9
84.04497	11.0
91.05486	6.9
98.01709	1.7
99.80360	2.0
102.03765	3.8
119.04942	16.8
122.02722	10.5
130.05052	4.1
142.08694	2.7
147.04408	100.0
148.70699	2.2
149.07428	13.1
184.82411	1.9
191.43565	2.0
207.52086	2.1
212.89189	2.2
218.08141	7.6
225.42404	1.9
229.37962	2.1
233.05927	2.9
251.06963	5.7
261.12781	5.8
295.11176	13.0
407.16232	2.5
416.12930	16.1
446.11682	2.1
527.15851	4.3
545.17047	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.0
69.99935	8.0
86.09674	10.6
86.77934	9.1
184.07341	15.4
186.31912	11.2
241.69356	11.0
256.54852	9.4
275.83826	10.5
286.64944	10.0
289.54080	10.6
312.60797	9.7
332.07458	11.9
354.99530	13.3
417.78674	11.2
462.20044	12.2
513.30609	17.0
649.53357	14.2
675.35461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43964	8.4
67.27969	8.1
69.39009	8.2
69.98940	8.0
72.33924	8.2
81.07056	10.5
91.96895	9.9
116.64886	10.6
117.01692	9.5
139.78207	10.3
146.92899	9.3
149.06358	9.8
150.61302	9.6
184.07394	19.5
513.30719	23.3
675.35468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	11.4
57.07071	10.9
59.95508	9.5
67.05489	29.7
68.50993	9.2
71.08609	100.0
72.53233	10.4
79.05486	30.7
81.07030	31.3
91.05463	49.2
95.08611	27.1
99.08080	64.6
104.70751	11.7
105.07042	17.9
112.67019	11.5
117.07047	25.9
119.08558	22.1
121.06489	17.2
131.08659	13.2
143.08597	20.5
151.11191	54.7
151.72795	11.8
179.26028	13.7
187.11165	15.1
217.15898	17.7
226.11182	13.1
246.21121	12.0
614.57550	12.8
675.44910	13.5
677.25439	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	47.2
57.03429	15.3
60.08164	8.1
61.02912	6.7
67.05497	77.7
68.28358	7.7
69.03405	11.5
69.07053	27.6
71.30023	8.7
72.91508	6.8
75.89691	6.7
78.30219	9.0
79.05492	16.8
81.07046	79.2
83.05000	8.3
83.08620	35.4
86.09701	34.9
86.30405	7.8
91.05495	16.1
91.65205	7.7
91.70998	17.2
93.07027	13.8
95.08603	36.1
97.10155	70.8
107.08577	26.8
109.10153	14.8
112.13025	7.6
122.72195	8.7
124.59791	8.7
124.99994	19.4
125.09644	61.1
184.07317	100.0
189.11255	27.0
218.31267	9.8
227.12767	81.3
245.13788	85.5
290.09674	10.2
309.24243	76.3
326.31229	9.6
389.12030	10.8
479.33597	45.1
506.50848	10.4
541.75653	10.8
623.91199	10.8
685.46674	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	10.8
60.52579	1.4
67.05505	3.0
67.71809	1.2
70.17541	1.3
71.07355	5.3
81.07051	3.2
86.09702	41.7
98.98483	2.8
104.10802	1.8
109.93864	1.5
124.99992	21.1
138.97269	1.5
143.95238	1.4
152.33762	1.5
166.02701	1.8
184.07346	100.0
234.22209	2.1
345.10608	2.0
353.12317	1.7
354.56723	2.0
383.79175	2.2
442.23599	1.9
491.17490	2.0
505.65485	1.9
585.64807	1.9
676.45227	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98967	2.5
60.08144	11.3
60.08460	2.4
65.04324	3.0
67.05469	3.9
71.07350	6.0
74.57468	2.5
78.67778	2.8
86.09701	50.8
87.60497	2.6
97.74500	2.5
98.98443	5.2
104.10729	3.3
110.28985	2.6
111.36822	2.4
119.06623	2.7
124.99989	21.4
166.23450	3.2
184.07327	100.0
203.57556	2.9
278.09039	3.2
302.68100	3.2
583.12695	4.0
676.45123	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.9
60.08156	8.4
60.45848	0.7
67.05489	1.1
67.54516	0.8
71.07352	4.7
81.07063	1.3
82.37651	0.8
86.09695	43.6
88.84104	0.9
93.07050	1.0
98.98457	3.4
103.84428	1.0
104.10730	3.6
124.99991	19.8
143.83786	0.8
184.07327	100.0
245.89316	0.9
292.05420	1.0
325.77173	1.2
384.64816	1.1
466.20874	0.9
676.45471	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	1.1
60.07897	0.9
60.08157	10.0
71.07355	4.3
81.07031	0.7
86.09698	39.9
98.98463	2.7
100.83821	0.7
104.10738	3.3
107.08507	0.9
112.32867	0.7
125.00001	21.6
125.29377	0.7
128.01965	0.7
130.94299	0.6
150.27745	0.7
184.07333	100.0
185.07663	2.9
196.03214	0.8
227.35905	0.8
356.88956	0.9
676.45172	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71154	1.9
53.97553	2.1
60.08141	7.7
71.07342	3.2
86.09699	39.3
98.98401	2.9
125.00007	20.5
125.09528	3.1
125.59064	2.6
139.14957	2.5
184.07333	100.0
266.41913	3.1
301.88773	2.8
371.85809	3.1
383.17899	3.9
388.95953	3.0
584.16425	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08822	14.5
50.80775	15.2
51.75177	15.2
55.56388	18.2
56.51365	17.4
56.69792	13.5
76.06411	14.1
77.59766	14.5
106.24099	16.6
120.08131	31.4
148.07558	48.9
169.81400	18.4
294.16241	25.4
318.16550	20.2
436.18643	48.4
439.46857	20.4
512.20233	63.3
530.21136	100.0
687.66058	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57449	1.4
65.80537	1.8
67.05513	1.8
68.62300	1.4
74.25029	1.5
78.69633	2.0
82.40298	1.6
91.71568	3.7
93.07068	1.5
115.11357	1.7
115.25804	1.6
136.64008	2.1
137.20578	2.6
163.80707	1.6
184.07372	2.7
345.76822	2.3
373.04193	2.1
403.62393	2.0
515.31940	24.5
677.37158	100.0
678.36908	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	13.5
57.03422	4.8
57.07044	4.0
61.02909	13.2
67.05494	97.2
68.88791	4.1
69.07057	12.9
70.25747	3.4
70.33949	3.6
70.39941	3.6
73.02877	4.7
73.29163	3.7
79.05496	25.3
80.65823	3.8
81.06599	8.5
81.07046	100.0
83.08605	9.1
85.02898	13.4
85.06570	4.3
86.40007	4.4
91.03959	12.5
91.05473	32.3
91.71665	8.5
93.07034	57.1
95.04936	4.7
95.08590	72.0
97.02876	13.6
97.06517	6.0
105.07003	23.4
107.08591	38.9
109.06569	4.2
109.10146	34.6
111.11674	4.3
112.03235	3.8
117.07011	7.0
119.08588	19.0
121.10130	30.7
123.11702	19.2
128.34183	4.1
131.08568	20.6
133.10153	14.9
135.11687	24.0
145.04878	7.1
145.10132	20.4
147.11649	12.6
149.13284	24.2
151.14839	4.7
159.11691	11.4
161.13261	12.7
163.06062	5.6
163.14795	8.5
173.13289	17.2
177.16386	7.9
184.07439	10.5
187.14937	8.3
229.29594	4.9
243.21024	27.2
261.22073	71.6
279.23199	6.3
335.25790	25.0
344.03452	4.9
353.26788	18.2
631.88361	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84316	69.0
63.55563	58.3
74.07946	64.9
105.93067	70.9
121.06599	74.3
127.03942	85.6
140.65022	69.9
141.31398	78.1
154.18791	64.7
157.10152	80.0
209.00432	81.2
456.52829	85.6
546.12195	90.1
690.65149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	2.1
60.08156	8.2
65.77004	1.7
71.07370	4.3
71.08613	3.6
86.09695	41.8
89.06020	4.1
97.06487	1.5
103.35860	1.6
104.10738	2.8
115.64398	1.7
119.34223	1.5
125.00005	18.2
126.26824	1.9
133.08623	4.8
176.35085	2.0
184.07335	100.0
192.95752	1.9
269.39844	2.0
352.14502	2.2
514.44586	2.2
627.64752	2.2
678.43085	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51986	3.4
59.11562	3.4
60.08150	7.1
67.05504	7.0
81.07023	4.8
85.69098	3.8
86.09698	35.4
91.84444	3.2
92.19008	3.4
125.00007	22.0
184.07324	100.0
290.83292	3.5
314.18939	4.1
327.08954	5.3
337.70212	4.4
388.27481	4.7
679.45923	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	9.3
64.54959	0.9
67.36847	1.0
67.67254	0.9
71.07360	4.6
74.45203	1.0
77.48952	1.0
86.09692	37.1
98.98483	2.4
104.10730	1.5
125.00002	24.1
184.07326	100.0
206.23801	1.2
216.96826	1.1
242.70705	1.4
678.46429	4.2
683.04065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65160	0.8
57.03408	0.7
57.07069	0.8
60.08152	8.7
67.05476	1.4
69.40286	0.8
71.07367	4.4
81.07054	1.7
86.09695	38.4
98.98460	2.5
104.10731	3.3
113.55602	1.2
119.08556	0.9
124.99994	22.0
148.22104	0.9
156.17596	1.0
156.28308	0.9
184.07324	100.0
275.08893	1.1
678.47144	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20106	0.8
57.07036	0.9
60.08148	8.1
63.96469	0.8
67.05482	3.3
71.07355	4.1
79.05457	1.6
81.07048	2.2
86.09695	38.9
91.05493	0.9
93.07005	1.3
95.08591	1.7
98.35886	1.1
98.98457	2.7
104.10721	3.0
109.24335	1.0
120.52691	0.9
124.99992	22.0
166.02673	1.1
184.07323	100.0
185.07661	1.3
231.69991	1.1
249.12503	1.0
305.42139	1.1
323.38257	1.1
329.39783	1.1
374.26971	1.0
381.02255	1.2
447.20462	1.2
678.47247	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60320	1.7
57.07067	7.2
60.08152	10.3
60.46601	1.9
61.65021	1.6
62.63301	1.5
63.61914	1.6
71.07360	5.0
71.08635	11.2
79.05489	2.5
79.58772	1.9
85.10181	4.6
86.09698	39.9
87.04447	6.7
89.06024	19.6
91.05460	2.9
93.07034	2.1
98.98478	3.6
104.10741	3.6
112.13697	1.7
121.06493	4.2
124.99995	21.8
130.08650	4.2
131.07045	4.2
133.08583	16.8
147.07979	2.3
165.09116	2.4
177.11205	6.6
184.07329	100.0
185.07790	3.6
186.07918	2.0
241.30009	2.5
284.80228	2.5
291.23138	3.5
312.39960	2.1
384.69720	2.9
398.26141	2.4
425.61395	2.3
529.63849	3.4
678.42926	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	24.3
57.07051	17.9
67.05489	47.7
68.04369	16.7
69.07069	14.9
71.08613	64.8
79.05485	51.2
81.03418	18.3
81.07023	78.1
86.09678	18.1
91.05461	49.1
91.30130	18.4
93.07031	76.1
95.04935	30.7
95.08600	44.2
97.22392	15.5
99.08099	20.5
100.42587	18.1
105.07027	29.5
107.08591	36.3
109.10116	16.1
118.11228	16.1
119.08604	23.5
121.10132	39.1
125.09570	18.3
135.11664	38.9
142.75316	18.4
179.14302	92.7
184.07347	48.9
264.86829	18.0
277.21808	31.7
293.20990	100.0
351.25266	23.3
367.24710	39.7
532.71637	21.3
624.76440	23.6
633.68750	20.3
643.45837	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.6
55.05489	23.6
55.50825	8.6
57.07090	10.4
57.17810	9.3
63.66240	10.0
67.05484	75.5
69.07066	19.6
71.08610	51.3
77.32035	9.3
79.05483	43.0
81.03395	24.0
81.07047	100.0
83.04974	11.2
83.08594	26.0
86.09711	12.7
91.05476	52.8
91.71697	14.6
93.07026	74.6
95.04951	21.9
95.08614	60.0
99.08096	13.6
105.07030	43.9
107.04951	15.9
107.08590	49.8
109.10140	28.5
117.06976	11.8
119.08586	34.5
121.10147	32.0
127.97002	11.8
131.08502	15.3
133.10126	36.3
135.08087	11.8
135.11707	23.0
141.07938	12.2
145.96683	15.7
151.11174	23.4
159.11658	16.9
179.14293	69.1
253.14371	24.9
275.20050	25.8
277.21710	57.8
293.21103	21.3
351.25406	14.7
367.24695	13.5
549.03479	16.6
643.45184	37.1
654.24359	15.4
678.46716	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.39
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82709	13.6
55.05497	35.0
57.07056	15.8
57.26313	12.3
61.02904	22.3
67.05485	79.1
69.07051	41.0
79.05462	21.9
81.07042	100.0
83.08576	21.4
84.28855	14.1
85.02888	17.4
89.15418	11.5
91.05460	19.2
93.07022	41.6
95.08588	69.4
97.10149	20.3
99.82086	12.3
100.11234	15.5
109.10133	40.7
119.56218	16.4
121.10124	16.6
133.10159	18.1
245.22614	39.9
263.23691	61.7
278.43863	14.9
337.26880	29.1
358.38104	16.6
359.23788	16.1
541.93311	16.8
631.64252	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44024	5.6
54.43067	6.5
55.05492	20.9
82.16544	6.5
83.08614	24.2
84.12472	6.4
96.86916	7.1
100.11238	100.0
102.96502	7.1
111.04394	12.5
132.84363	7.3
179.08589	7.4
182.15430	40.2
209.16425	25.8
210.14914	42.2
226.18988	10.3
237.82393	7.8
313.98730	8.6
679.51068	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	15.6
55.05503	24.2
57.07055	34.0
67.05489	33.4
69.07051	22.1
71.08630	25.0
79.05495	14.9
79.16258	10.9
81.07033	23.8
81.24833	9.1
83.04977	11.0
83.08592	14.9
86.09717	29.7
91.05444	19.2
91.06728	9.8
93.07036	27.0
95.08575	24.7
97.06532	15.1
99.39933	9.7
107.28542	10.8
109.10181	15.8
111.04436	26.5
111.08065	12.6
111.51032	11.6
121.10136	17.5
122.58810	13.2
125.00018	22.6
135.11745	13.8
141.28049	10.1
141.48909	12.2
145.10152	23.5
148.18320	10.6
154.39389	10.9
163.11198	20.8
181.12248	22.9
184.07349	79.7
283.15384	16.1
512.76129	13.9
521.49164	14.5
539.39325	100.0
617.63873	14.9
675.11902	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36155	1.2
60.08150	6.9
60.62011	1.1
71.07368	4.1
72.91094	1.4
86.09697	34.6
98.98460	3.5
104.10696	2.4
124.99999	24.1
127.96876	1.4
159.07399	1.4
184.07318	100.0
372.26025	1.7
474.21646	1.7
680.44470	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07082	3.8
60.08139	7.8
64.70931	3.9
67.40728	3.6
85.91492	5.5
86.09710	29.7
94.69213	5.3
124.99998	19.0
152.69867	4.7
155.53554	4.8
184.07323	100.0
186.26532	4.6
255.82570	5.0
268.07501	5.1
306.47021	6.0
308.24707	5.3
336.93900	6.3
582.48688	5.6
615.65698	6.5
643.85590	5.6
680.44794	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	53.6
57.03443	19.6
57.07057	47.9
57.95196	11.8
57.97521	16.9
67.05492	28.4
71.08605	40.1
74.30976	14.2
74.67390	13.1
81.07037	29.2
83.08599	54.8
85.10175	15.0
86.09698	32.4
95.08590	30.1
97.10164	88.4
107.08561	17.3
119.08579	18.3
125.09606	78.0
154.69571	22.2
184.07353	60.2
189.11211	39.6
201.32683	16.6
227.12830	72.9
245.13696	100.0
260.22546	18.0
283.45453	20.8
313.27267	95.9
335.27911	16.8
372.06757	16.5
458.19012	19.6
483.36703	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.2
57.07068	2.7
60.08157	8.2
62.99287	1.3
67.05483	6.2
67.06263	1.4
69.07040	2.2
71.07362	3.2
71.08634	1.6
71.24583	1.7
79.05474	1.8
81.07044	3.3
83.08624	4.1
85.10175	1.9
86.09702	36.4
91.05503	2.0
91.66566	1.9
95.08610	3.0
97.10162	5.1
98.98457	3.8
100.11231	2.4
104.10802	1.8
109.10155	2.7
116.33359	1.8
125.00002	18.3
125.09620	3.2
173.66132	1.8
184.07329	100.0
189.11145	2.9
223.95403	1.9
227.12810	8.8
245.13853	7.2
277.79385	2.3
313.27454	6.8
483.36435	4.5
520.84021	2.0
542.84894	2.2
590.18988	2.2
680.47650	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84869	5.2
53.00298	5.6
55.05499	29.2
57.03428	10.4
67.05495	100.0
69.07057	25.9
71.08628	56.2
71.88539	6.9
79.05468	50.8
81.03387	12.8
81.07044	90.7
83.05002	14.4
83.08617	23.1
91.05482	58.6
91.71695	9.6
93.07041	87.3
95.04977	19.2
95.08595	60.7
97.06515	10.7
97.10168	14.1
99.08094	31.2
105.07036	37.9
107.04984	9.5
107.08580	49.4
108.05270	6.4
109.06590	8.4
109.10139	16.2
111.08067	13.2
117.07031	11.4
119.08607	22.0
121.10155	31.2
125.59887	6.6
131.08583	12.8
133.10149	23.3
135.11697	31.5
145.10112	10.3
147.43362	7.3
149.13263	9.7
151.11226	26.3
159.11609	8.7
161.13322	13.9
163.11163	9.5
179.14255	63.8
240.18259	7.0
259.20767	8.1
269.17490	13.7
275.19934	7.9
277.21591	46.0
293.20871	11.6
300.40115	7.3
351.25204	29.9
387.89154	8.2
545.38806	45.7
627.45764	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	10.4
55.05497	30.0
57.03429	18.9
57.07066	16.5
67.05495	96.3
69.07058	56.8
69.68533	9.0
71.08607	41.0
73.85327	7.6
79.05480	50.7
81.03420	10.7
81.07052	100.0
82.47365	8.5
83.04964	10.5
83.08633	16.7
85.10158	8.9
86.09714	8.9
91.05478	48.0
93.07044	67.5
95.04967	30.3
95.08580	56.3
97.06517	18.0
97.10179	11.4
99.08101	15.1
105.07013	23.9
107.08594	33.5
109.06530	11.4
109.10154	38.0
109.65188	10.2
111.08073	9.6
117.07016	11.1
119.08582	24.6
121.10159	23.4
125.09602	17.9
131.08586	18.4
131.15182	9.2
133.10130	19.1
135.11719	14.3
145.10075	15.8
149.13245	17.0
161.13271	10.6
173.13188	13.7
187.65996	10.9
224.47969	10.1
227.12862	10.5
243.20915	10.0
275.20206	15.0
277.21640	17.0
293.20993	97.6
335.25644	26.0
351.24832	12.2
367.24835	16.8
425.60721	9.6
444.05063	9.9
497.67474	12.1
545.38086	12.2
627.46033	37.5
643.35632	10.8
643.83539	10.0
680.48096	13.3
686.74316	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76456	16.1
57.42244	16.6
57.71212	16.4
58.25728	16.1
58.78939	16.7
87.22773	20.3
89.71696	19.6
102.05450	18.8
117.23471	21.1
133.22800	20.1
140.54147	19.4
197.75470	20.7
353.15939	26.0
570.49139	24.4
681.46753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73641	6.9
55.83416	6.9
57.34251	5.9
72.08149	100.0
84.04469	14.2
120.08112	27.6
153.09012	23.6
156.08328	7.5
165.19432	8.4
176.90756	9.8
188.14322	17.8
196.50476	8.5
216.15044	14.9
244.14468	59.7
286.22855	25.7
288.88708	9.3
307.38174	9.0
314.22180	69.8
350.23660	10.0
373.29599	93.0
386.68988	10.5
458.81491	11.8
537.34412	8.6
542.03082	12.5
549.37128	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	22.2
60.22408	13.4
62.37890	13.4
65.10342	17.6
67.05495	100.0
69.07056	30.7
79.05473	39.7
81.07052	86.9
83.08602	30.1
91.05475	46.8
91.71688	40.6
93.07041	44.3
95.08598	47.9
99.07045	17.7
105.07046	29.0
107.08595	34.1
109.10168	23.1
117.06961	18.0
119.08572	25.7
121.10143	20.9
127.32266	17.6
131.08563	20.9
131.60545	17.3
135.11797	21.6
143.08624	20.6
149.13150	19.9
156.12769	17.6
189.42249	17.4
198.09598	20.4
310.35547	22.0
515.01404	22.2
529.38965	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	8.4
55.05495	30.7
57.07064	14.6
67.05498	100.0
69.07062	31.0
71.08643	7.7
79.05507	22.5
81.07046	78.7
83.04561	8.3
83.08601	23.4
85.10159	16.4
91.05479	16.1
93.07040	36.3
95.04927	11.9
95.08582	50.1
97.06544	13.2
97.10152	15.9
104.92010	9.2
105.07030	18.5
107.08605	29.2
109.10145	36.3
119.08530	12.3
121.10049	13.3
123.11721	11.7
133.10083	13.4
135.11670	13.3
151.69429	10.1
220.66557	10.0
277.21539	11.3
279.23160	19.6
295.22705	15.0
351.25043	13.7
353.26645	15.5
493.41922	12.5
507.36484	16.9
547.39844	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	21.2
55.05495	37.4
57.07071	19.1
60.09108	10.8
67.05499	89.8
69.07050	70.6
69.75795	9.7
71.08595	20.0
79.05486	37.0
81.07051	100.0
83.08607	26.3
91.05473	26.4
93.07024	64.8
95.04968	18.2
95.08588	74.1
105.07021	18.6
107.08565	27.9
109.10160	31.5
109.76378	10.8
119.08561	14.8
121.10133	28.0
121.62599	12.8
133.10072	13.9
135.11711	17.9
137.79431	12.0
149.13228	12.3
153.12801	15.1
164.75172	11.4
221.55177	12.2
277.21692	14.0
279.23102	27.7
300.94037	12.5
351.25479	20.1
353.26907	23.1
374.93060	12.4
383.17664	12.4
471.78928	11.6
477.34952	12.4
492.81073	12.9
496.07825	14.7
547.39795	44.3
610.61713	12.7
629.47113	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82244	10.8
54.19167	11.5
55.05496	42.1
55.70724	13.0
63.31982	12.7
64.24864	13.0
67.05490	48.7
69.07047	43.7
79.05469	26.6
79.71646	16.9
81.07047	100.0
83.08616	34.5
91.05487	39.3
93.07050	17.8
94.18716	15.9
95.08596	36.4
97.10139	36.5
100.31374	17.2
100.83620	15.7
105.07014	31.6
106.31310	13.8
107.08617	32.0
121.10099	16.6
135.11639	19.9
156.12959	16.3
206.70728	18.7
256.40753	19.7
273.18579	24.4
291.19611	58.7
339.28973	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4491
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05485	6.4
56.60136	6.1
59.43782	5.9
59.66326	4.4
61.03312	6.5
65.35418	5.1
67.05490	20.0
69.07063	5.5
71.33479	5.3
74.10860	5.3
79.05505	7.3
81.07050	23.3
91.05444	7.5
91.70943	12.4
93.07021	11.1
95.08619	10.2
102.01404	6.2
103.59219	5.7
105.06988	9.3
109.10169	7.5
109.18874	5.9
121.10173	7.2
133.10080	7.7
139.15071	6.2
207.88477	6.6
260.48102	8.1
307.21970	9.5
322.59970	6.9
322.68076	7.0
333.20386	7.3
389.23306	10.6
578.05652	6.9
601.40747	7.4
641.17548	6.9
682.95618	7.7
683.44824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41212	4.0
61.02902	5.6
69.03404	3.9
74.76260	3.6
75.20554	3.7
80.45344	3.6
85.02894	43.7
97.02910	10.7
116.10356	5.1
127.03915	12.6
135.04393	8.0
145.02837	5.0
145.04993	13.5
163.02542	4.8
163.03897	100.0
163.05986	6.7
165.40782	4.3
181.04922	39.2
186.05511	5.6
246.61621	4.5
248.87503	4.4
286.12869	4.8
358.35559	5.4
564.16077	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43073	1.1
55.01855	2.2
57.03418	3.0
61.02911	6.5
69.03416	18.8
71.05575	1.3
73.02905	3.0
81.03410	6.3
85.02896	100.0
87.04446	2.4
89.03908	1.5
91.03953	3.9
97.02879	26.7
99.04415	2.7
109.02874	7.0
109.93105	1.7
115.03963	1.6
117.03375	1.4
127.03905	24.6
135.04413	6.4
145.02876	3.0
145.04939	45.2
163.03893	48.2
163.05933	17.0
180.08653	2.2
181.04951	16.7
186.05507	2.5
204.08653	6.9
325.11298	6.6
375.80618	1.6
404.33060	1.9
672.75543	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
54.22983	1.7
56.05007	2.0
60.04509	2.8
69.03419	6.1
70.06577	3.0
80.05038	3.4
81.03394	7.0
82.06521	2.3
84.04493	50.1
85.02909	4.3
86.84341	2.0
95.08614	2.2
95.84640	1.8
96.04481	19.1
97.02882	6.3
98.06049	13.3
99.18985	1.9
109.02872	6.0
126.05503	65.3
127.03931	2.8
138.05487	100.0
140.40211	1.9
144.06526	15.8
144.89055	2.1
152.73843	2.0
161.13280	2.4
168.06552	26.1
175.90292	1.9
186.07579	23.5
204.08627	11.7
235.13754	2.0
252.95163	2.4
308.55975	2.2
400.23206	3.3
418.24356	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42596	1.7
60.04505	4.8
69.03418	6.4
70.06570	10.7
72.08131	2.4
81.03426	5.7
84.04493	51.2
84.07660	2.2
84.13574	2.2
85.02898	6.4
85.89133	2.5
95.08621	2.4
96.04491	20.4
96.16300	2.1
97.02895	6.7
98.06055	10.0
109.02860	6.1
114.05624	2.4
119.08608	2.3
119.79208	2.1
126.05512	60.2
127.03873	4.3
132.28210	2.5
138.05492	100.0
144.06528	15.7
146.91292	2.7
155.82713	2.5
168.06566	20.2
174.25075	2.2
177.12740	2.6
186.07593	29.9
204.08755	7.4
246.10109	2.6
290.96307	3.0
400.23160	5.3
409.32767	3.1
418.24292	33.7
666.28864	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	19.2
67.05493	85.8
69.07065	23.7
79.05508	33.3
80.66987	8.3
81.07048	100.0
85.06561	12.2
85.66006	9.3
87.24623	7.8
91.05468	45.2
91.71704	7.8
93.07057	16.9
95.04972	8.2
95.08601	94.0
105.06424	7.5
105.07066	33.7
107.08615	14.3
110.33339	7.4
110.87043	6.7
119.08634	26.4
126.48354	7.2
145.35834	8.3
147.11708	12.9
154.82932	8.0
208.17035	13.7
226.18204	13.5
226.55894	9.0
257.17395	39.1
489.78403	9.0
520.01709	8.7
543.40503	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30705	6.7
55.05492	19.0
57.03412	10.4
57.07065	41.5
63.19247	6.6
67.05486	30.1
69.07064	18.8
71.08618	34.7
79.05483	19.5
81.07043	34.0
83.08608	16.1
85.10147	18.7
86.27692	7.2
88.40898	7.3
91.05470	35.5
93.07032	24.6
95.08597	33.2
105.07001	15.1
107.08560	11.1
109.10167	14.7
117.06973	25.7
121.10140	16.4
129.07042	9.4
131.08563	19.1
133.10153	9.7
135.08044	9.0
150.69263	8.8
224.68661	10.5
259.57602	9.6
293.17520	17.3
313.27289	100.0
502.87997	12.2
515.06982	9.7
531.40369	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	12.2
59.02245	5.1
61.06750	5.6
65.13673	6.7
72.50245	5.7
74.93092	4.8
80.33856	5.7
82.77263	5.5
84.92993	5.8
90.57452	6.4
112.51876	5.4
113.09464	5.6
118.93271	6.3
122.03709	9.0
137.05978	100.0
137.34882	6.2
149.49960	5.7
177.56383	6.1
226.11172	16.5
249.12836	14.5
267.13751	20.6
270.98349	6.2
314.46222	6.8
344.15405	20.5
362.16437	11.6
380.13007	71.2
385.17737	10.6
421.15646	17.2
688.02081	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	13.1
57.03421	18.4
57.07064	10.6
61.02921	66.0
67.05481	34.4
69.03413	34.8
69.07053	15.1
71.52203	6.8
73.02908	25.1
79.05479	12.6
81.03391	21.2
81.07049	35.7
82.36053	8.1
85.02895	100.0
91.03948	62.0
91.05479	47.9
93.07043	33.6
95.04942	8.9
95.08595	24.7
97.02876	86.0
99.04434	17.9
100.55785	7.9
101.02385	10.9
103.03942	10.1
105.07030	45.1
105.07631	7.9
107.08580	20.6
108.60207	8.4
109.02882	9.6
109.10101	9.6
110.86141	7.8
111.04540	10.1
112.84386	9.4
117.06992	15.5
119.08576	29.3
121.10114	13.5
127.03909	33.9
129.05435	10.4
131.08560	25.0
133.10120	18.4
135.11716	9.6
142.93712	8.3
145.04976	25.6
145.10143	15.1
147.11667	10.2
171.11664	10.3
203.18004	14.1
351.85352	8.7
361.27438	24.1
454.75769	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71083	10.8
56.07746	9.5
71.97296	12.5
91.71046	23.1
97.33227	13.5
136.11214	13.2
180.50098	15.0
202.35941	13.4
273.30029	13.4
369.37070	16.8
395.82553	15.4
419.13846	18.0
490.74918	15.8
685.39050	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90309	2.3
55.05497	4.8
67.05495	19.8
69.02596	3.0
69.07064	5.1
71.04961	3.6
71.08601	4.6
75.64537	2.6
79.05480	5.5
79.38299	2.8
81.07047	15.3
86.70115	3.1
91.05462	6.2
91.71638	4.7
93.07043	7.7
95.08590	10.2
102.96300	3.0
105.06947	4.6
107.08565	5.7
109.10166	4.2
111.29002	3.3
117.07001	3.7
119.08646	3.2
138.58479	3.0
152.95226	4.0
184.78169	3.6
293.21393	4.5
296.49487	3.4
333.20334	9.3
376.34714	4.2
409.50058	3.8
446.36426	3.9
685.46539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60906	4.8
61.37202	6.4
61.37579	4.7
67.05486	11.2
69.07030	7.2
69.96335	5.0
78.63248	5.4
80.43736	5.5
81.07043	13.9
86.87132	6.6
90.23881	5.8
91.05468	7.6
91.71040	11.8
93.07030	10.0
95.08602	7.5
107.08556	7.2
115.14125	7.0
122.03372	6.6
220.96910	8.0
591.18347	9.3
624.71570	7.0
662.79407	7.3
685.37268	7.4
685.46753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46979	8.5
51.37633	9.3
52.50223	9.9
55.05525	10.4
62.17007	9.9
67.05489	26.1
71.08622	10.4
78.86163	11.1
81.07043	19.6
91.05469	23.7
95.08582	16.2
100.67792	13.2
107.08591	18.4
109.10165	15.6
119.08642	11.7
248.67436	22.3
250.75931	13.2
262.13968	13.6
335.85999	18.3
685.46399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14584	5.7
51.41825	5.6
51.46198	6.8
55.05504	39.9
57.07060	8.0
60.08160	8.1
63.34913	6.6
66.12547	6.2
67.05499	44.8
68.04683	8.3
69.07069	52.0
75.94665	7.3
77.31833	6.7
79.05492	29.1
79.12758	6.5
81.07069	44.9
81.07492	6.4
83.08627	44.8
86.09686	56.6
89.60056	7.1
91.05472	64.8
91.71657	12.6
93.07037	37.4
95.08605	30.1
97.06517	11.3
105.07029	30.2
107.08590	18.2
109.10204	15.0
111.08063	11.2
117.07033	10.1
119.08602	14.0
121.10191	9.7
124.99993	18.6
125.09609	9.8
131.08545	12.7
133.10136	9.1
149.13257	26.9
162.87267	8.0
163.78174	9.5
167.14252	11.6
184.07329	100.0
228.19655	9.6
241.18025	17.1
259.19092	29.1
410.81940	9.9
446.09927	11.1
545.41827	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37644	2.8
55.54988	2.9
63.98231	3.4
67.05497	17.9
69.07059	4.7
80.39236	3.2
81.07030	14.1
84.77475	3.5
91.05441	3.6
93.07016	7.8
93.54383	4.1
95.08595	7.5
109.10165	4.0
111.11335	3.2
115.99693	3.3
237.63716	4.7
276.74020	3.8
335.21945	11.1
412.91211	4.0
538.52551	4.6
555.20679	5.1
687.47858	100.0
688.48260	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.1
67.05491	19.0
68.34015	3.9
69.07059	7.6
78.46802	4.4
79.05488	8.0
81.07059	19.4
83.08583	8.1
84.83563	4.3
85.56506	4.4
91.71021	9.4
92.27810	5.2
95.08629	10.2
98.36298	4.4
149.06563	5.5
184.07291	5.5
202.40738	5.8
210.93752	4.8
335.21890	7.6
357.53275	7.1
374.44131	6.1
386.06439	5.6
495.49866	5.8
687.48041	100.0
688.47736	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45480	2.9
55.80903	3.1
67.05495	21.8
69.07060	5.4
78.87633	3.1
79.05497	5.4
81.07059	14.0
83.04123	2.9
83.08632	4.2
83.35007	3.2
84.82127	3.6
91.71718	7.3
93.07052	8.2
95.08614	8.1
100.84576	3.2
104.03144	4.0
121.10223	3.9
335.22000	10.9
366.95471	4.6
391.24850	5.0
400.87018	3.7
520.24231	4.1
687.47943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	26.5
79.05481	9.8
81.07075	27.3
91.05478	11.9
91.16453	10.0
93.07082	13.1
110.06659	11.1
116.02410	9.9
133.08691	12.2
149.44025	12.8
156.91879	11.5
258.11786	13.0
343.05881	13.1
372.71603	11.5
687.48224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50551	13.3
62.54975	11.6
70.06589	21.3
74.88693	14.4
83.75249	13.6
96.08105	15.4
96.64894	12.9
110.09663	26.0
112.34770	13.2
120.08109	52.8
120.12981	14.7
138.09122	100.0
144.11212	16.5
227.11755	20.7
374.16913	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01136	5.3
60.08157	12.0
67.05490	11.1
71.07342	7.6
73.48022	7.0
81.07038	9.3
83.08559	8.6
86.09684	46.6
89.06030	10.9
91.71692	6.5
95.08592	10.8
98.98453	7.5
105.57355	5.7
111.39323	7.1
125.00008	26.0
133.08626	10.1
158.29854	5.7
184.07329	100.0
576.49298	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20241	1.1
60.08164	9.2
64.52486	1.2
67.05486	4.2
69.15002	1.1
71.07352	4.9
81.07048	1.6
86.09695	39.1
87.35551	1.4
89.05981	1.5
91.05488	1.4
94.21185	1.3
95.08599	2.3
96.23208	1.3
96.35753	1.2
98.98464	1.8
104.10740	4.1
109.10111	2.4
121.10139	1.2
124.99984	20.1
149.41093	1.3
184.07323	100.0
200.37871	1.3
221.12148	1.3
229.14348	2.9
275.18149	1.6
337.27292	1.7
491.36609	2.0
688.44666	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56016	2.5
54.93183	2.6
57.07059	7.8
67.05493	10.3
71.08620	9.2
73.06562	3.6
78.74368	3.0
79.05481	6.1
81.07064	8.0
81.09563	3.1
86.09715	3.4
87.04459	12.9
89.06024	100.0
91.05501	6.6
91.71716	5.4
93.07059	5.2
95.08602	4.4
96.56906	3.1
105.07048	5.1
109.10214	3.9
119.08599	5.9
130.08647	24.3
131.07007	4.8
133.08595	73.2
133.10095	4.9
147.11670	3.4
175.11241	6.4
177.11192	25.5
184.07388	4.1
206.14169	4.4
221.13840	5.8
233.85930	3.6
270.58780	4.3
326.86972	4.2
335.25916	5.8
380.69724	3.6
503.30783	19.0
527.37115	9.6
541.14709	4.1
688.52283	4.5
717.66101	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	14.0
58.90639	3.0
71.08630	5.0
85.10195	4.9
86.09725	4.3
87.04485	12.6
88.84343	3.5
89.06022	100.0
89.06520	6.2
128.93547	3.1
130.08646	28.9
131.07074	4.1
133.08598	78.6
133.09503	4.6
135.52298	3.5
157.20262	3.4
177.11263	25.4
178.00874	3.6
184.07448	5.4
198.58310	4.2
221.13904	5.3
223.06445	3.7
283.17798	4.2
305.93964	3.9
330.77026	3.9
341.53192	3.8
503.30627	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08382	8.7
59.46613	10.1
61.52026	9.5
68.54755	9.4
69.39326	11.6
69.64079	9.5
84.49959	10.0
87.13942	12.1
142.71375	10.8
146.61183	10.7
163.03889	28.7
641.37701	13.3
689.18738	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49503	21.0
66.65353	20.4
71.62437	20.0
82.09692	24.9
109.99410	23.9
135.14069	25.7
179.65784	29.4
187.04593	26.2
270.68198	28.1
320.20828	35.8
689.31604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71463	14.4
61.02930	29.7
62.66690	11.9
65.04279	12.2
67.05505	33.8
69.03426	21.4
69.07057	13.4
75.41367	12.7
79.05489	19.0
81.07083	44.8
85.02911	21.7
91.04004	16.6
91.05505	40.3
93.07053	35.4
95.08643	14.9
97.02928	21.1
99.08089	18.9
107.08659	17.4
119.08585	22.8
129.06992	18.8
131.08595	34.4
143.08565	20.7
145.10188	22.1
157.10214	19.9
173.82770	17.0
178.75195	16.2
184.07350	46.7
189.04060	20.4
208.97459	17.7
251.34016	16.0
314.74899	22.0
335.58008	17.6
449.73123	19.0
527.37506	100.0
552.89069	20.7
570.54626	19.5
659.44806	23.8
663.91132	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98964	35.9
55.05490	42.4
56.72493	36.0
67.05494	100.0
69.03406	35.3
70.58302	35.3
78.72073	41.2
79.05481	71.0
81.07041	77.4
91.05476	99.1
93.07047	68.0
95.08603	50.3
105.07018	66.3
115.74530	42.0
121.10150	46.5
133.39194	40.6
159.06458	43.8
175.11253	74.9
184.07399	79.8
266.13303	46.7
267.82501	45.1
527.37579	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.9
55.05494	31.2
57.03418	14.9
57.07067	8.6
61.02907	15.1
67.05492	74.9
69.03411	20.1
69.07063	22.5
71.04970	9.6
73.02893	9.2
79.05479	39.8
81.03378	15.5
81.07040	76.8
82.21879	8.1
83.08651	7.5
85.02893	24.1
86.09711	11.7
91.03934	15.8
91.05469	63.5
93.07035	62.8
95.04964	21.1
95.08607	45.7
97.02877	17.5
97.06499	8.2
103.74428	7.0
105.07036	56.6
105.63628	6.1
107.08607	33.7
109.10142	18.9
117.07001	28.0
119.08567	42.4
121.10146	19.5
123.11654	8.7
129.05466	10.6
129.07034	18.2
131.08577	41.5
133.06490	8.2
133.10097	34.9
138.60947	6.6
141.07043	8.2
143.08554	27.9
145.10106	38.6
147.11740	19.9
149.13208	8.9
155.08594	13.1
157.10091	38.5
159.11626	32.6
169.10110	18.5
171.11696	20.6
171.27063	8.1
173.13240	11.8
175.11221	31.3
181.10153	8.7
183.11633	15.2
184.07277	42.9
187.14743	9.8
197.09895	7.2
197.13298	12.5
199.14841	12.1
204.18156	8.1
204.67671	7.2
209.13243	10.9
213.16377	7.3
335.25928	33.3
417.31134	8.5
435.32599	30.3
487.17169	7.7
527.37213	100.0
551.37775	8.1
689.42303	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98964	35.9
55.05490	42.4
56.72493	36.0
67.05494	100.0
69.03406	35.3
70.58302	35.3
78.72073	41.2
79.05481	71.0
81.07041	77.4
91.05476	99.1
93.07047	68.0
95.08603	50.3
105.07018	66.3
115.74530	42.0
121.10150	46.5
133.39194	40.6
159.06458	43.8
175.11253	74.9
184.07399	79.8
266.13303	46.7
267.82501	45.1
527.37579	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18430	9.8
52.57738	9.7
55.05509	17.0
57.03418	15.3
61.02917	25.3
67.05482	54.8
68.61760	10.0
69.07037	12.7
69.51218	10.4
73.02892	13.5
79.05469	29.6
80.51357	10.6
81.07047	44.7
83.04902	10.5
85.02882	16.8
85.05090	10.3
86.09692	48.5
91.05482	52.1
93.07039	47.4
95.08598	28.4
97.02899	16.4
105.06989	16.0
107.08601	28.3
109.10165	15.2
119.08569	27.4
121.10169	13.5
124.02640	12.9
124.99979	22.0
126.09433	10.5
127.87970	11.7
129.06987	23.8
131.08566	26.8
169.10167	15.0
172.96423	12.0
173.13390	16.6
181.10155	15.2
184.07306	100.0
185.07642	16.3
263.18039	12.6
283.38474	14.6
307.12073	14.1
426.33841	13.1
435.32474	21.3
527.36945	66.1
654.58575	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46472	8.8
55.05479	9.2
57.07072	15.2
59.81532	9.3
61.53927	9.9
67.05463	13.6
68.82068	10.4
69.07056	10.9
70.40893	9.6
71.08617	15.6
84.17607	8.5
86.58225	10.0
98.22650	11.2
189.53363	12.9
473.03076	13.5
689.49707	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18759	2.1
55.05502	2.8
66.62205	2.4
68.66413	2.5
83.08598	3.3
93.07047	8.3
94.06561	12.8
95.07362	7.9
96.08146	18.0
100.11266	12.0
106.06566	9.5
108.08099	28.7
108.70465	2.6
110.09665	34.7
119.93533	2.8
120.08086	30.0
121.08860	4.4
122.09677	14.5
136.07538	17.2
136.11240	4.4
138.09135	100.0
139.52634	3.7
146.09680	7.6
148.04088	3.4
148.07596	6.0
150.09152	8.6
162.09137	3.8
166.08638	8.4
174.09183	18.8
182.15428	4.3
192.10237	4.8
199.12247	7.6
201.10274	4.6
215.11839	4.0
224.10847	6.2
225.10310	5.5
227.11768	24.4
229.13400	4.9
241.09760	4.0
241.13466	4.2
243.11359	4.1
251.11940	5.2
253.09648	9.2
253.11899	4.6
255.11136	39.8
255.13432	7.1
267.11279	8.9
269.12704	15.5
281.13068	3.8
295.10684	25.2
297.12341	36.8
370.66058	3.4
376.18854	5.1
385.14069	6.6
400.14972	17.6
402.16464	45.0
521.23602	5.9
539.24854	36.6
567.24445	61.0
644.30914	8.6
662.32178	14.2
690.31146	5.7
701.48547	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27963	1.7
54.32864	1.9
58.24350	1.9
58.69772	1.7
60.08168	9.1
66.98302	2.1
67.05491	2.4
71.07365	3.3
73.96888	3.0
74.75892	2.0
79.73070	2.5
86.09698	50.4
86.10195	3.2
95.76994	2.2
98.98465	3.4
104.10799	3.5
107.74998	2.0
125.00001	25.1
184.07327	100.0
199.83360	2.8
245.19911	2.5
306.18765	2.5
331.79419	2.5
362.05563	2.6
690.43347	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79567	1.4
60.08157	10.1
71.07349	3.8
72.75287	2.0
81.62327	1.9
83.13245	1.5
86.09692	43.8
90.80959	1.8
98.98462	3.9
104.10709	3.1
123.32993	1.8
125.00002	20.2
132.16808	2.1
184.07324	100.0
204.38965	2.1
223.51329	1.8
253.31412	2.2
270.16821	2.1
347.75183	2.1
423.91919	2.5
690.41901	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.8
60.07914	0.6
60.08158	8.1
63.00282	0.5
65.01292	0.5
67.05485	0.7
71.07365	3.7
79.05466	0.6
81.07026	0.7
86.09698	38.8
98.98478	3.0
104.10741	2.3
119.08559	0.7
124.99995	20.7
166.02632	1.5
177.25270	0.6
184.07336	100.0
193.77936	0.7
201.64137	0.7
223.48763	0.7
291.62436	0.7
346.84988	0.7
347.18213	0.8
356.78198	0.7
361.82339	0.7
396.41513	0.7
690.43262	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	17.1
55.05514	38.3
57.03446	16.0
57.08456	8.2
61.02930	18.0
67.05500	100.0
67.09566	10.8
69.03432	14.4
69.07070	30.9
73.02946	13.2
75.62872	10.3
79.05508	41.7
81.07051	82.2
83.08650	14.1
85.02901	17.8
91.03951	13.3
91.05468	60.7
92.18527	10.0
93.07059	44.4
95.04976	14.2
95.08620	76.0
97.02905	21.9
97.06512	14.9
105.07027	70.7
107.08611	33.4
109.10168	23.4
117.07058	19.6
118.74686	11.0
119.08633	30.8
121.10185	27.8
124.76181	10.6
125.09875	9.7
129.07057	24.4
131.08604	56.2
133.10178	41.2
135.11740	20.0
143.08588	16.7
145.10167	36.2
147.11719	14.8
148.14397	11.4
149.13257	10.3
157.10152	13.0
159.11707	17.2
169.10176	15.4
171.11690	15.3
175.11235	37.4
183.11734	12.2
184.07391	16.3
254.53056	11.3
337.27487	43.3
425.77081	11.7
437.34143	21.8
488.61200	11.5
529.39069	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	8.4
54.60956	4.4
55.01871	14.3
55.05509	32.0
57.03423	21.7
57.07066	9.6
61.02913	15.4
65.03924	6.4
67.05497	92.4
69.03412	17.9
69.07063	41.5
71.04971	6.8
73.02923	10.5
79.05494	42.8
79.66644	5.6
81.03412	16.0
81.07053	91.4
83.04950	7.5
83.08598	24.8
85.02894	26.6
86.09692	23.6
91.03950	15.6
91.05472	62.5
91.71608	6.9
93.07051	58.3
95.04950	11.9
95.08604	56.4
97.02888	17.7
97.10168	14.7
105.07025	81.0
107.08609	36.9
109.06487	8.1
109.10154	18.4
115.03964	5.6
115.05370	5.9
117.07023	23.6
119.08579	48.1
121.10141	26.4
128.06279	9.9
129.05476	11.1
129.07021	23.2
131.08580	47.4
133.06500	13.4
133.10141	45.8
135.11617	7.3
142.07748	9.6
143.08571	19.7
145.10114	22.4
147.11688	22.1
149.13286	9.5
155.08562	16.6
157.10138	34.0
159.11688	13.7
169.10149	13.4
171.11702	17.3
173.13168	12.8
175.11159	48.1
181.10092	13.3
183.11615	8.3
184.07350	37.9
187.11166	7.5
195.11819	10.2
199.11041	8.2
267.21057	7.0
337.27380	83.8
437.34116	18.1
511.37347	8.6
529.38739	100.0
530.39581	8.2
691.44220	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43074	17.2
59.85834	15.9
61.02913	33.6
67.05483	95.6
70.77700	16.7
79.05476	48.8
81.07050	88.4
85.02898	53.8
86.09684	23.0
91.03926	34.7
91.05463	100.0
93.07045	60.0
95.08601	56.0
97.02921	41.6
98.90424	19.6
105.07005	65.6
107.08549	36.7
109.10120	36.5
117.31049	20.4
119.08601	55.3
121.10168	36.5
129.72131	26.0
130.81645	26.0
131.08580	38.2
133.10120	45.1
135.11649	27.7
145.10089	31.0
147.11577	27.2
159.11697	31.0
161.13264	58.2
163.06065	28.4
171.11734	34.4
173.13210	21.1
175.14912	21.6
180.08554	22.7
184.07318	42.0
241.19469	47.1
259.20547	76.3
300.08990	23.2
351.25299	25.9
378.42404	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
60.08155	8.8
67.05478	2.0
69.03424	0.6
69.08536	0.5
71.07360	3.8
79.05465	1.0
81.07034	1.5
86.09696	40.3
90.56089	0.5
91.05463	0.9
92.86771	0.5
95.08583	1.2
98.98463	2.5
104.10715	2.8
105.07006	1.3
106.41999	0.5
109.10154	0.7
110.46604	0.6
124.99993	20.9
127.45387	0.5
131.08574	0.5
166.02602	0.8
176.11511	0.6
184.07332	100.0
185.07518	0.8
190.22389	0.6
223.49017	0.6
243.35329	0.6
530.39050	1.2
692.44904	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12844	0.9
60.08157	7.5
62.72806	0.8
67.05492	1.6
71.07356	3.8
73.36443	1.0
79.05480	1.0
81.07031	1.6
84.22511	1.1
86.09174	1.8
86.09698	37.0
91.05471	1.7
95.04958	1.0
95.08611	1.6
98.98452	2.7
104.10728	3.0
107.08604	1.2
116.34424	1.1
125.00000	20.6
134.93814	1.1
184.07327	100.0
185.07683	1.1
540.56824	1.5
561.45300	1.4
611.27905	1.3
692.44525	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01683	0.4
56.05010	0.7
60.07862	0.5
60.08155	8.5
67.05485	0.7
67.60976	0.5
71.07364	4.0
86.09698	41.8
89.77124	0.4
95.08583	0.6
98.55418	0.4
98.98463	2.5
104.10728	3.3
122.47120	0.4
124.99997	21.0
137.66042	0.5
166.02605	0.8
184.07332	100.0
185.07666	0.6
198.73123	0.4
692.44928	5.3
693.44312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01744	1.5
60.08154	7.1
67.05485	1.5
67.34042	1.5
69.29332	1.3
71.07365	4.1
81.07066	2.0
85.80235	1.4
86.09691	41.9
98.98476	3.0
124.99985	19.1
146.75194	1.4
161.24509	1.6
184.07335	100.0
185.07687	1.6
200.88455	1.6
361.79349	1.6
411.17212	1.8
527.47437	1.6
691.94556	2.2
692.45844	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87452	4.8
51.67980	4.7
60.05636	12.6
66.09915	5.5
69.03429	13.4
70.06583	100.0
71.05017	8.3
81.03383	10.8
81.07056	6.2
82.41763	6.3
82.86689	5.7
85.02903	15.3
88.15283	6.2
94.53923	5.5
112.08727	15.6
115.08681	19.0
116.07086	24.0
127.03902	8.7
146.60663	6.2
158.09279	22.6
175.11964	13.0
191.50250	7.1
193.83778	6.4
231.89102	7.2
337.04285	7.3
419.29657	7.0
445.33722	8.7
586.82623	8.8
649.40051	29.9
675.58441	8.4
693.38989	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54508	1.8
67.25429	2.1
68.26094	1.9
75.95198	2.3
94.04201	2.7
115.42074	2.6
122.03662	6.3
125.15690	2.6
133.74422	2.5
137.05974	100.0
170.49231	2.5
195.05077	4.2
207.73752	2.8
218.06642	4.4
219.04996	13.2
237.06148	9.8
245.05490	5.8
260.07669	26.6
388.19614	12.3
406.20944	5.3
429.22372	32.3
606.19635	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22158	14.2
60.08141	21.1
62.52599	13.7
70.06583	100.0
70.06905	18.2
74.02408	29.6
81.03423	17.4
84.08121	20.6
96.04156	13.9
108.37270	20.0
113.61111	16.1
113.73998	15.9
116.07095	38.0
118.40315	18.0
132.67278	19.7
497.73453	20.3
693.41528	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38198	9.1
57.63505	8.1
67.05477	8.5
91.05464	100.0
92.05810	32.2
112.43143	10.7
152.74875	7.8
174.28844	9.1
208.36612	9.2
227.55139	8.9
259.47675	9.3
346.30978	18.1
347.31314	17.9
404.46399	11.1
642.05768	10.2
693.46716	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00702	2.1
57.03426	2.4
59.02400	1.8
60.57378	2.1
61.02933	7.3
68.04630	1.9
69.03414	24.7
69.03724	2.3
73.02952	2.7
81.03438	7.2
82.07236	2.0
85.02894	100.0
87.04460	51.3
87.04948	3.5
91.03963	4.9
97.02872	21.5
99.04464	3.0
104.24322	1.9
105.05492	19.9
109.02917	6.0
127.03901	25.8
128.07106	3.4
135.71199	2.4
145.04959	42.1
155.07019	2.4
163.06015	16.7
169.77235	2.3
173.08148	5.8
180.08705	4.1
191.09109	18.9
204.08742	8.4
211.73608	2.2
246.55977	2.5
325.11182	16.3
428.56717	2.4
491.98962	2.5
559.72510	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87341	15.3
66.38740	14.6
66.66943	15.7
67.05503	24.2
69.03407	31.3
81.03424	29.3
81.07044	24.2
85.02892	47.5
86.09698	20.2
93.07034	31.0
97.02881	25.2
105.07018	89.2
105.54838	17.6
111.42040	16.8
119.08575	30.8
121.06487	27.0
127.03944	25.3
133.10129	48.5
143.08545	37.6
145.10017	26.9
146.07240	32.7
157.10156	18.7
161.09628	100.0
194.45908	18.4
213.16414	19.6
272.64978	21.9
313.28232	18.7
422.79593	19.3
428.23984	33.9
428.29846	28.6
694.30206	75.7
719.33411	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19543	7.1
67.05485	8.1
69.03379	9.0
74.69483	8.2
76.14272	6.3
77.09068	7.6
78.70200	6.8
81.07040	10.0
85.02909	19.1
85.47144	6.9
85.87537	8.7
91.05444	11.2
93.07038	18.3
95.04971	9.4
97.02904	13.5
105.07019	80.2
109.02889	11.0
109.10178	10.5
113.74324	8.4
119.08569	14.7
121.06496	31.5
121.10107	17.8
123.11716	9.4
127.03927	14.2
131.08557	19.1
133.06442	13.5
133.10143	36.9
135.08031	18.8
143.08560	14.0
145.06497	8.6
145.10077	9.9
146.07288	11.4
147.08086	9.1
151.07559	9.3
155.08514	10.7
157.10193	11.1
159.08038	34.9
159.11717	7.9
161.09583	100.0
161.10799	8.2
173.13255	12.8
281.19153	38.4
341.21109	61.2
360.66336	11.8
408.74728	9.5
408.91293	9.2
417.21930	9.8
428.24011	12.8
514.73718	10.0
589.26099	14.8
641.40973	10.7
705.75342	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
58.90888	3.8
62.84934	3.5
64.10078	3.1
67.05490	4.1
69.03423	23.5
69.08579	3.5
79.05452	6.4
81.03415	15.6
81.07060	7.3
85.02879	17.6
87.00829	5.1
91.05479	23.2
93.07048	16.0
95.04954	7.0
95.08605	11.6
97.02870	13.6
99.04422	6.3
105.01899	5.4
105.07028	78.0
107.08579	14.3
109.02876	12.4
109.06564	4.3
109.10160	7.8
117.07005	5.5
119.08605	24.0
121.06464	23.0
121.10152	20.9
123.08109	6.0
123.11639	5.1
127.03948	13.0
128.06310	6.1
129.06995	4.8
131.08568	27.2
133.06467	5.6
133.10120	45.6
135.08061	16.1
143.08559	12.2
145.10101	11.7
146.07280	14.0
147.08054	6.5
147.11676	5.7
149.39316	4.5
151.07526	6.0
157.10135	6.9
159.02927	5.4
159.08041	42.3
159.11684	8.8
161.09599	100.0
171.11751	6.0
173.09642	6.8
173.13290	16.7
183.11731	6.5
189.12750	4.9
197.09674	4.1
197.13235	6.5
199.11160	8.5
199.14731	6.8
201.12717	5.6
211.11160	6.0
225.12787	15.6
239.14302	6.3
281.18961	48.1
299.20142	9.4
341.21155	6.9
356.46948	6.1
428.24240	15.7
589.26147	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39617	5.5
53.03925	8.3
55.01858	10.6
59.57336	5.2
60.04504	7.8
61.62039	5.1
67.05491	5.3
69.03423	36.0
71.04989	5.2
81.03410	22.8
81.07048	14.0
85.02916	34.4
86.09759	7.3
91.05474	29.4
91.71614	5.8
93.07040	35.5
95.04962	13.9
95.08591	9.1
95.92728	5.4
97.02872	12.4
99.04427	13.1
105.07020	94.7
106.05084	7.9
107.08643	13.7
109.02881	21.3
109.06497	10.3
119.08527	15.9
121.06517	27.7
123.08115	6.6
127.03936	14.2
131.08594	10.5
133.06496	16.7
133.10107	45.2
135.11703	8.6
143.08623	13.1
145.06480	6.3
145.10114	12.8
146.07314	13.6
147.08022	12.6
149.88658	6.9
157.10136	12.6
159.08076	16.8
159.11728	7.1
161.09602	100.0
171.11719	13.7
173.13345	11.8
183.11638	6.8
189.12711	15.6
199.11116	7.6
201.12660	8.0
213.16306	7.7
215.14334	14.6
217.12259	9.2
234.30788	6.6
266.13959	23.9
323.20065	15.6
428.24347	32.3
446.25369	11.2
460.33456	8.0
548.47119	9.0
553.78796	8.0
694.30646	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
55.01852	5.4
55.05507	2.4
60.04506	2.2
63.75619	1.9
66.14607	2.3
67.05501	5.3
69.03408	14.7
69.07053	2.3
77.20186	2.2
79.05480	5.4
81.03405	11.4
81.07056	7.3
84.47675	2.3
85.02882	13.3
86.09661	3.5
89.21259	2.4
91.05469	11.5
93.07053	14.0
95.04963	9.3
95.08599	5.5
97.02881	7.3
99.04453	3.0
100.47040	2.1
105.07024	75.2
106.05019	3.4
107.04945	5.9
107.08588	7.7
109.02881	11.1
109.06532	3.4
109.10162	2.9
109.90990	2.2
111.59899	3.1
117.07028	3.3
119.08585	11.0
121.06499	28.6
121.10124	7.1
122.31139	2.3
123.08043	6.7
127.03891	13.0
128.06250	5.2
129.07034	3.6
131.08595	12.5
133.06516	9.9
133.10135	41.2
135.08046	5.6
142.07758	6.2
143.08562	11.3
145.06554	5.8
145.10089	6.6
146.07265	15.9
147.08072	3.5
149.09619	3.5
151.07527	16.0
157.10133	11.2
159.02870	3.7
159.08060	23.9
159.11703	3.8
161.09599	100.0
169.10042	3.1
173.09540	4.3
173.13338	3.9
182.61058	2.4
184.07408	4.7
185.09557	11.8
185.13165	3.1
187.11209	4.8
189.09172	2.7
189.12785	5.7
191.14249	3.0
197.09618	2.6
197.13229	3.8
207.11865	3.7
215.14386	3.2
233.03712	2.7
253.19125	3.1
266.14108	3.3
285.14972	3.4
323.20035	12.7
341.21063	87.5
342.21347	3.9
428.24536	3.6
446.25513	4.8
462.68475	3.1
502.58429	3.3
589.26428	16.3
694.30139	8.7
695.51874	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12770	10.9
51.75318	9.9
55.05489	17.9
59.08848	10.3
60.56425	9.4
61.02908	26.8
61.34112	10.8
62.40059	9.6
63.30829	11.4
67.05490	90.5
69.07042	18.7
79.05479	41.3
81.07047	100.0
83.08563	15.2
85.02886	42.7
91.03954	33.6
91.05476	20.5
93.07034	82.6
95.08604	73.6
97.02869	17.1
105.06999	29.0
107.08575	55.5
109.10168	45.4
119.08614	13.9
121.10147	51.4
123.11681	22.5
131.08507	29.8
135.11691	41.9
142.82860	11.9
145.04965	12.7
145.10123	22.8
147.11774	19.3
149.13297	22.7
163.05989	19.4
163.14789	19.2
173.13110	15.7
175.68401	13.3
187.00075	15.2
243.21098	39.6
261.22076	90.6
335.25925	25.8
353.26825	47.6
377.16376	14.0
439.40744	14.7
617.99603	16.0
638.90527	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80369	8.7
57.44395	7.9
58.69193	10.1
60.76911	9.1
61.02911	25.8
67.05499	100.0
69.07058	14.9
78.89418	9.8
79.05477	35.8
81.07045	95.0
85.02897	42.5
91.03955	31.3
91.05464	30.3
93.07037	49.4
95.08600	78.8
97.02888	22.6
97.74606	9.7
103.63303	10.1
105.07003	27.7
107.08601	45.2
109.10156	40.5
121.10149	44.2
123.11674	17.7
130.20340	11.9
131.08530	27.0
133.10115	15.8
135.11700	29.1
145.04938	21.4
145.10152	18.6
147.11749	20.3
149.13258	23.6
150.74326	11.8
159.11713	15.8
161.13342	15.8
163.05940	17.2
163.14766	13.6
167.34515	11.6
173.13329	11.4
184.07372	13.4
214.79440	13.4
243.21097	31.1
261.22168	92.8
270.28659	11.9
274.03058	12.2
353.26791	64.2
490.66898	12.9
554.55780	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99155	4.5
55.05505	11.8
57.07063	12.5
61.02919	39.3
67.05497	80.7
69.03432	7.5
69.07046	14.3
71.08605	7.8
73.02897	14.7
79.05489	38.2
81.07047	86.8
81.55286	5.6
83.08614	13.2
85.02884	34.2
85.06542	11.1
86.09687	9.9
86.12859	6.2
91.03940	29.7
91.05494	33.0
93.07030	83.2
95.08598	69.2
97.02901	17.1
97.06561	6.7
99.08056	9.3
105.07034	27.5
106.31605	5.1
107.08578	49.8
109.10139	22.6
117.07062	10.7
119.08561	14.4
121.10120	53.2
123.11716	11.0
127.03922	13.5
129.06949	7.5
131.08536	30.1
133.10130	11.3
135.11690	23.8
145.04982	12.0
145.10117	23.6
147.11708	11.3
149.13306	11.7
159.11696	17.4
161.13275	13.4
163.06021	20.4
163.14838	27.0
165.16420	6.1
173.13254	24.9
175.14828	9.5
177.16373	30.2
187.14799	14.2
201.16382	7.2
233.22665	9.0
243.21100	62.8
261.22095	100.0
273.24945	6.4
300.61316	5.9
335.25867	27.2
353.26810	32.4
625.07129	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	7.6
61.12329	3.5
67.05498	4.1
67.83825	3.9
77.00593	5.2
81.07047	5.1
83.86720	4.5
86.09704	44.9
89.06028	15.5
90.00159	4.4
91.05810	5.9
91.26973	3.9
95.01643	33.5
102.03753	4.4
114.07356	26.1
117.03638	6.2
118.03209	86.3
119.01612	5.9
121.03176	5.5
125.00000	24.6
130.08604	5.9
133.08621	6.7
144.04771	6.3
145.06787	13.6
147.04713	58.0
165.05785	7.7
184.07330	100.0
188.07416	13.8
189.09331	5.2
191.07326	27.5
211.86179	4.7
235.10034	9.4
239.09457	11.3
254.56552	4.7
286.96219	4.6
294.10831	4.8
339.27405	5.0
676.45282	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23865	2.1
52.93134	1.8
54.19951	2.2
55.05499	2.8
55.18324	1.9
55.85511	2.0
57.07040	2.3
60.08149	7.3
67.05500	3.7
71.07353	3.4
81.07053	4.1
86.09696	39.1
86.27519	2.4
91.05475	3.7
93.07056	2.7
95.04958	3.5
95.08646	4.3
96.36821	2.6
97.66053	2.6
98.98449	3.1
104.32943	2.6
109.10130	3.0
124.07275	2.9
125.00006	20.3
131.25941	2.6
143.64108	2.7
184.07327	100.0
184.08937	5.3
201.43665	2.7
293.21091	5.5
312.89252	3.3
350.75800	3.6
651.73553	3.4
694.45673	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
60.08162	7.8
67.05490	2.0
67.80368	0.8
69.07063	1.2
70.48206	0.8
71.07359	3.7
79.05499	1.1
79.22025	0.8
81.07025	2.0
84.06989	0.8
86.09698	40.1
91.05463	1.1
91.71047	1.0
93.07024	1.6
95.08605	1.6
98.98471	3.4
100.45689	0.8
104.10737	2.4
105.07028	1.7
107.08631	0.9
125.00000	21.1
128.37605	1.0
133.10179	1.6
145.72105	1.0
147.26118	1.0
181.49423	1.0
184.07332	100.0
185.07651	2.8
186.07677	1.1
213.93706	1.1
266.82184	0.9
269.18567	0.9
355.45102	1.1
635.72803	1.1
694.45935	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65872	0.6
55.05510	0.7
58.20138	0.9
60.07888	1.1
60.08153	8.9
67.05482	1.8
69.07068	0.8
71.07355	3.1
81.07044	1.2
86.09695	39.4
91.71027	1.8
95.08609	1.5
98.98455	3.2
104.10725	2.3
124.16564	0.7
124.99986	18.5
141.21300	0.8
143.35783	0.8
147.25325	1.0
163.58055	0.7
166.02670	0.9
184.07326	100.0
270.03992	1.0
694.46552	4.3
704.61945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	7.1
59.70605	8.1
60.04517	55.5
67.05489	8.0
69.03410	34.5
69.07053	8.3
72.08125	7.8
75.37903	7.3
81.03398	39.6
81.07038	21.4
82.41605	8.6
84.08100	8.1
85.02889	37.1
88.03960	22.1
90.28072	8.4
91.05505	10.9
93.07035	29.5
95.08581	18.5
97.02858	13.3
99.04415	12.5
105.06989	46.3
106.05017	66.9
107.08593	30.5
109.02902	11.2
119.08599	42.4
121.10124	41.8
127.03919	22.8
128.52634	10.9
131.08603	19.4
145.10135	30.5
149.09644	10.0
159.11639	11.5
163.11127	55.5
171.11613	11.6
173.13284	16.1
189.12749	13.1
213.01012	9.2
215.14445	14.7
268.15421	29.3
283.20859	10.4
285.98062	13.2
430.25720	45.3
448.26962	13.1
488.64618	10.4
597.82782	11.2
625.52856	13.0
669.37750	11.8
696.32074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45222	2.9
55.05513	12.6
57.03443	5.0
57.07072	11.0
59.87103	3.1
61.02923	25.0
61.88745	2.8
67.05493	82.1
67.05824	5.1
69.03420	5.5
69.06756	4.8
69.07055	25.9
71.08619	7.0
73.02907	8.3
79.05515	15.8
80.68998	3.4
81.07049	100.0
83.08604	19.9
85.02898	37.8
85.10175	4.5
91.03944	25.2
91.05465	18.2
93.07016	32.1
95.08598	97.6
96.60859	3.2
97.02872	19.1
97.06559	9.6
97.10190	11.6
99.08090	4.4
105.07066	14.9
107.08599	18.4
109.10143	43.1
110.71320	3.4
118.01369	3.6
119.08625	11.8
121.10144	26.4
123.11697	21.6
127.03961	11.8
133.10185	12.9
135.11763	11.0
137.09615	4.0
137.13286	5.3
142.72841	3.6
145.05003	11.2
147.11720	13.8
149.13339	12.7
151.14874	4.4
161.13217	20.9
163.06050	14.8
163.14828	5.2
165.16449	10.6
167.14447	4.0
175.14926	15.1
177.02368	3.4
177.16470	3.9
179.18013	4.2
202.66714	3.9
243.25270	3.4
245.22626	57.5
249.27406	3.3
263.23654	96.9
271.58902	3.8
294.05362	3.8
337.27380	36.7
355.28415	8.3
402.65521	4.5
410.01996	4.5
677.60895	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.444
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	8.8
61.05264	1.4
67.05518	1.3
70.29595	1.1
71.07366	4.0
75.13209	1.6
86.09694	34.7
86.10205	1.9
93.07073	1.5
95.05053	1.5
95.88161	1.7
98.98461	2.6
104.10752	3.4
111.95129	1.5
125.00010	20.8
127.37162	1.6
136.74895	1.6
158.34740	1.4
163.75584	1.4
184.07326	100.0
304.63934	1.5
370.86545	1.8
696.44110	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	14.7
56.96816	2.5
62.94636	2.4
64.32009	2.7
70.06590	5.3
77.36265	2.9
84.96042	5.8
91.71702	2.9
97.26277	3.0
98.97570	28.2
102.97111	4.1
112.90681	2.8
112.99181	4.5
116.98611	25.3
128.98636	4.5
131.00235	8.7
134.18657	3.8
134.99658	5.7
140.00201	29.7
149.01254	4.1
152.00259	6.4
154.01862	7.9
158.01314	9.0
158.99655	19.3
170.01329	4.0
170.99866	3.8
172.02849	5.8
173.01294	11.9
177.00847	13.8
181.02882	11.7
189.00850	4.2
191.02415	6.2
193.02827	4.3
195.04448	7.3
198.59601	3.2
200.02315	26.3
201.00893	4.6
214.03993	14.4
219.01857	9.1
225.07974	4.0
237.02913	14.2
240.09262	5.4
242.03445	12.4
248.28244	3.9
260.04471	11.5
266.10715	5.1
279.22873	3.6
283.06165	12.2
284.11768	6.3
291.70950	3.2
345.12198	46.5
345.15692	4.4
386.14783	40.7
387.13223	100.0
405.14615	7.6
428.16125	11.9
431.12344	30.8
439.26636	3.7
647.55695	3.6
668.34863	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	16.9
55.05500	24.5
55.52483	8.5
57.03432	10.0
58.37215	8.8
59.53096	9.1
59.85770	8.9
63.69492	8.5
67.05498	74.1
67.91624	8.5
69.03423	10.9
69.07051	23.8
71.04945	8.2
78.18072	9.1
79.05491	52.5
79.05882	8.2
81.03398	23.7
81.07050	66.2
82.01306	10.6
83.08643	10.1
84.95328	11.3
91.05467	100.0
93.07039	54.6
95.04988	29.1
95.08596	37.4
95.14337	11.3
105.07024	75.1
107.08592	24.6
115.80471	10.7
117.07012	35.9
119.08576	43.3
121.10168	23.5
128.06235	19.0
129.05412	14.2
129.06985	26.0
131.08586	56.0
133.10121	47.9
141.06996	15.8
143.08578	34.5
145.10136	22.1
147.11690	18.0
155.08594	18.5
157.10156	24.8
159.08014	12.7
159.11624	15.4
167.08583	14.1
169.10068	18.6
175.11224	19.9
181.10204	18.8
185.09581	12.3
193.09889	11.9
201.16548	16.0
203.18031	14.9
209.49599	12.0
361.27655	12.3
462.71021	13.5
697.41852	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21142	8.5
55.05492	35.8
57.07056	23.5
61.02908	31.8
61.72480	11.0
67.05482	52.9
69.07047	58.5
71.08624	20.8
79.05445	16.4
81.07044	65.3
83.08620	40.7
85.02888	45.0
85.10175	12.3
86.09691	14.6
91.03951	27.5
93.07030	43.6
95.08625	62.3
97.02901	28.5
97.06543	14.7
97.10160	28.7
107.08559	19.1
109.10168	34.6
111.08077	19.1
121.10149	36.7
123.31451	12.8
127.03849	19.2
135.11664	31.6
148.35408	13.7
155.36917	14.3
163.06032	18.9
201.48145	12.9
230.61639	13.5
247.24232	41.6
249.75230	15.4
265.25171	82.8
339.28882	100.0
357.29898	48.4
440.68622	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	39.5
65.26931	25.1
66.80648	25.1
67.05478	77.7
69.07060	33.8
81.07064	66.7
83.08630	60.8
85.02877	37.6
95.08593	91.7
97.10181	36.4
121.10157	100.0
197.16512	34.2
210.42900	44.8
265.25327	65.3
339.28949	66.7
397.50998	37.2
414.45181	37.6
462.53485	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77723	3.6
69.74084	3.5
87.93665	5.0
96.46210	4.0
97.36476	4.1
102.28764	3.8
116.10822	5.0
127.03717	6.0
127.05071	5.2
149.81386	4.4
157.23776	4.6
289.08914	8.0
317.26154	5.9
347.09473	19.0
347.60614	5.3
375.12720	14.1
449.11374	5.2
509.14517	13.4
527.15399	6.0
537.18286	6.0
547.62152	6.1
578.06219	5.0
628.90790	5.8
672.39905	5.8
699.23132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22149	3.0
54.32705	3.0
58.63235	3.5
62.27931	4.2
79.27943	4.3
131.97150	5.0
163.86098	3.9
444.76971	5.0
537.30261	17.5
699.35626	100.0
700.36334	6.3
716.31171	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79346	1.7
76.22055	2.0
78.75360	1.7
84.14620	1.6
97.31400	1.9
117.22395	1.7
130.01418	1.6
135.81783	1.6
158.38333	1.9
163.46581	1.7
179.10852	1.8
194.13083	1.7
197.15706	1.7
224.38959	1.9
365.10715	3.2
401.95190	2.0
537.30359	18.8
699.35553	100.0
700.35822	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50924	8.5
71.35664	8.8
75.65153	9.5
88.19234	11.0
94.06563	12.2
104.24236	9.9
106.06517	12.5
108.08091	12.2
119.88718	11.2
122.06025	11.7
122.09637	25.7
134.05997	32.9
146.06001	100.0
150.09119	56.5
211.12418	14.2
223.12323	12.5
227.11732	25.1
229.13620	14.8
237.13934	16.3
239.11771	61.6
251.11830	29.0
253.13416	44.7
265.13412	25.5
267.14993	21.6
281.12924	22.9
283.14163	27.8
293.12766	42.4
295.12793	76.5
311.13821	21.8
418.19894	44.6
428.18216	40.8
440.18161	71.7
441.18802	25.4
442.19705	31.4
551.24841	25.1
563.25024	33.2
577.26514	44.8
646.64862	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09696	19.6
61.62384	20.6
64.16889	21.2
75.33509	22.0
86.35449	20.1
94.06518	26.4
104.65303	22.9
107.71672	21.0
108.08106	44.8
120.08148	27.2
128.08736	22.8
135.47073	22.4
136.43114	21.9
146.05978	100.0
150.09203	35.4
166.08740	31.9
196.66882	21.3
281.12872	34.5
295.12964	84.4
400.70746	27.3
418.19785	38.7
577.26166	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42949	17.8
64.66837	19.0
67.05489	18.3
71.68197	21.4
88.00429	26.3
110.94997	24.2
112.51008	25.7
114.54514	22.4
115.22837	19.8
178.56227	29.5
184.07320	28.9
199.62474	22.7
203.93340	26.1
213.67261	22.6
262.96100	28.4
287.77142	24.7
301.23199	25.8
341.04788	26.1
453.31546	23.8
539.31384	31.7
701.36969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77468	9.4
57.07053	14.1
64.36113	9.8
70.06576	50.4
71.60404	11.8
75.30225	10.3
79.75481	10.4
88.07622	39.3
102.09155	23.8
149.02319	91.3
184.07318	21.5
193.05000	44.3
256.26227	73.8
300.29086	20.4
348.57919	15.7
473.14383	21.4
615.09277	14.5
656.97333	14.1
701.02734	17.2
702.38440	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	18.3
58.06591	6.3
65.03932	6.6
67.05479	7.0
70.06583	42.9
71.08618	4.9
75.84483	4.0
86.09711	10.9
88.07601	28.9
94.15306	4.8
102.09171	28.5
102.47108	5.0
139.03915	4.4
149.02338	98.8
149.03458	10.8
153.03583	5.2
182.38022	4.8
184.07318	11.9
193.04967	44.5
250.30153	5.3
256.26303	65.3
300.29034	14.4
313.22995	6.3
329.78928	5.7
385.09073	11.9
403.10376	13.9
407.82629	5.3
429.11743	18.2
473.14322	14.4
542.98828	5.4
702.38477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80618	0.6
53.37918	0.7
53.61090	0.7
55.73779	0.7
56.05022	0.9
56.35284	0.6
57.07053	0.9
60.08154	9.2
71.07349	4.4
81.07052	0.9
86.09697	40.9
89.06033	5.7
91.71034	2.0
95.08582	1.0
98.98454	2.6
104.10731	2.6
124.99995	22.0
128.49719	0.8
130.08597	0.8
133.08623	3.1
161.23015	0.9
177.11142	1.4
184.07330	100.0
211.54895	0.8
284.50635	0.9
298.61185	0.9
301.53070	0.8
314.67459	0.9
460.25113	0.8
702.47357	2.9
707.82422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	9.0
60.08414	0.8
69.40267	0.7
71.07379	3.7
74.28204	0.8
75.98376	0.8
78.61882	0.8
81.07082	0.8
86.09697	38.5
89.06039	1.7
91.71658	1.0
93.07086	1.2
94.40937	0.8
98.98498	2.4
104.10763	3.7
105.06989	1.1
124.99121	2.0
124.99994	18.7
128.27121	0.8
131.08568	0.9
147.23009	1.0
147.41002	1.0
184.07333	100.0
185.07925	1.1
216.28197	1.0
228.26280	0.9
235.32674	1.0
297.25116	0.9
702.46759	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49874	1.6
55.01856	5.7
55.05500	4.8
57.03426	5.2
57.07075	13.6
57.07302	2.2
60.63324	1.8
63.93280	1.8
67.05491	11.5
69.07056	4.2
71.08624	11.2
79.05479	7.6
81.07049	8.1
83.08584	3.1
85.02834	2.8
85.10183	4.8
89.06013	8.3
91.05471	43.2
93.07022	9.6
95.08585	8.0
97.10181	2.5
105.07021	35.9
109.10165	2.8
113.85175	2.1
117.07041	2.9
119.08559	18.1
129.05466	5.9
129.06975	15.4
131.08572	15.9
133.08572	6.1
133.10124	28.1
142.07718	4.5
147.07999	2.7
147.11678	20.0
153.00121	2.4
157.10072	18.2
164.05374	2.1
175.11179	100.0
177.11224	3.4
184.07278	3.4
190.11937	2.3
249.14850	5.1
313.27322	45.3
314.07822	2.4
410.99072	2.6
460.05508	2.4
487.36795	2.1
489.34155	2.3
552.45544	2.4
613.63403	2.8
702.47998	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39689	3.8
57.07050	8.8
57.18042	3.7
58.52517	3.6
61.02907	11.3
67.05492	9.9
67.50636	4.2
68.57069	3.4
69.03401	7.4
69.07059	7.8
71.08619	12.6
73.02908	5.9
79.05465	7.8
81.07050	17.1
85.02900	9.0
86.09699	8.6
89.06018	12.8
91.03990	5.4
91.05494	10.4
95.08554	4.1
105.07030	7.4
119.08591	5.3
127.04028	4.7
130.08585	4.6
130.50615	4.4
133.08580	13.8
133.10188	7.6
147.08830	5.3
184.07240	21.6
190.35304	5.0
201.16881	5.0
207.06995	4.8
276.86472	5.2
451.19193	10.3
626.25513	5.5
703.39917	100.0
704.40045	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98248	7.1
66.11952	7.4
69.22748	7.5
94.06538	15.4
96.48162	7.9
97.07312	6.9
115.08624	7.7
134.05989	10.9
136.07518	11.1
138.05484	15.5
162.05469	21.7
166.96738	9.1
173.22812	8.5
178.05046	14.8
184.17958	8.3
211.08559	9.9
238.65120	9.9
239.08075	19.6
239.11903	10.2
263.71194	9.4
267.11252	100.0
285.12393	39.2
384.15704	10.0
507.22528	13.1
668.26642	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50927	0.5
55.05472	0.8
60.08159	8.3
67.05483	0.8
71.07368	4.5
77.06187	0.7
83.72705	0.6
86.09700	48.2
89.06011	1.1
93.07039	1.1
98.98441	3.1
104.10761	3.7
124.99998	22.9
166.02618	1.0
184.07341	100.0
185.07713	0.7
456.02728	0.7
701.24481	0.7
704.44757	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12846	1.9
60.08150	7.6
71.07387	2.2
86.09692	42.2
93.07063	2.6
104.10728	2.5
105.61217	2.4
125.00014	18.9
125.18310	2.5
133.08551	2.3
156.59355	2.7
158.51964	2.1
184.07335	100.0
311.71033	2.5
313.48175	2.4
336.53934	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	15.9
55.05515	28.1
56.71539	7.4
57.07071	17.4
59.85573	7.1
67.05495	88.0
68.81204	7.0
69.07070	29.4
71.08613	70.5
79.05486	63.1
81.03391	10.4
81.07043	86.0
83.04958	12.6
83.08617	12.6
86.09704	19.7
89.06049	8.7
91.05469	77.5
93.07031	91.7
94.30083	8.5
95.04984	34.1
95.08590	70.2
97.06539	17.2
99.08113	32.0
105.07011	56.3
107.04962	17.9
107.08575	54.1
109.06554	10.1
109.10158	13.5
117.07047	38.0
119.08624	25.8
121.09400	11.8
121.10087	40.7
125.00037	10.1
129.07056	15.8
131.08618	27.5
133.10179	8.9
135.08107	9.3
135.11737	34.2
143.08577	13.9
145.10144	18.1
151.11194	19.6
154.93576	8.4
155.08665	10.0
157.10208	10.4
159.11844	11.7
161.13280	23.5
173.13315	10.0
176.82713	9.6
179.14297	100.0
179.15556	8.2
183.11795	10.8
184.07353	61.5
187.11247	11.9
201.12900	10.9
277.21521	63.0
277.55435	9.6
278.60440	8.7
283.20679	13.1
293.21152	17.8
351.25427	44.6
569.38739	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1847
Annotation	Occidentoside
Peak:m/z	Relative Intensity
62.12030	6.9
106.92682	7.3
126.12943	6.7
145.39038	7.9
278.27493	7.8
319.37381	9.5
385.88339	10.7
664.91669	9.2
705.18665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	9.1
57.07067	12.9
63.88621	8.0
67.05494	52.1
69.07048	16.5
71.08615	35.2
71.68923	9.2
78.45091	9.2
79.05471	28.2
81.07034	45.0
83.08607	14.6
91.05476	30.9
93.07038	32.6
95.04975	14.8
95.08635	27.4
96.66708	9.5
99.08118	13.5
105.07013	12.3
107.08591	19.3
117.06996	21.6
119.08604	14.6
121.10108	18.5
130.76450	10.9
131.08508	10.8
135.11691	18.1
138.93631	10.7
172.72559	11.2
179.14273	36.4
184.07379	12.4
228.55203	12.2
264.87296	11.4
277.21539	11.3
315.51083	12.4
351.25427	12.2
449.17783	18.0
652.68115	11.4
660.12537	16.6
673.52228	14.4
705.41083	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	42.0
56.10826	25.4
61.21356	26.1
67.05486	89.9
69.07050	29.9
79.05472	26.6
81.03387	52.2
81.07050	83.5
91.05469	71.5
91.71603	28.4
93.06996	39.6
95.08614	52.9
99.98003	28.0
117.06985	78.5
117.34297	26.5
119.08543	37.7
129.06995	79.3
143.08594	95.3
147.07994	36.5
159.17314	30.7
161.09720	54.2
165.66017	32.8
171.08055	36.7
189.09035	55.0
298.11209	39.5
323.65683	33.6
337.27225	100.0
345.91364	33.3
381.16370	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47231	4.2
55.01865	8.6
55.05497	21.1
57.03427	11.3
57.07071	5.5
57.91299	4.8
65.03954	8.4
66.11775	5.4
66.57816	4.8
67.05495	71.8
69.07071	29.9
71.58056	4.6
72.04137	4.5
79.05476	28.3
81.03391	30.3
81.07047	57.0
83.04962	11.1
83.08610	13.0
86.09695	8.3
91.05473	100.0
91.71082	9.2
93.07034	28.5
95.04934	6.5
95.08606	51.7
97.14628	5.9
100.18774	4.7
105.06994	30.0
107.04974	16.7
107.08604	10.3
109.10141	23.3
115.05421	8.3
116.11976	5.9
117.07000	34.7
119.08533	39.7
121.02896	6.3
123.11685	8.8
125.61771	4.9
128.06207	42.0
129.05522	11.8
129.06996	89.6
131.08528	9.9
133.06488	7.9
133.10117	15.7
135.11668	5.4
137.13306	7.3
143.08543	56.4
145.06482	18.2
147.08092	19.7
161.09648	29.3
167.66447	5.1
171.08012	40.9
184.07379	16.7
189.09062	43.6
263.12753	16.5
308.54526	6.3
337.27353	74.0
379.58139	6.3
525.35614	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49666	7.1
73.30125	7.5
96.51224	7.3
98.39179	7.7
115.20867	8.0
133.40866	9.2
211.39093	12.0
226.06837	16.6
320.65039	9.5
395.40555	9.8
397.22000	10.1
399.18887	23.1
459.21732	27.6
503.21191	16.8
560.77319	10.6
662.29645	25.6
706.28925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60304	8.2
54.62575	7.4
68.90105	7.4
81.38518	8.8
107.07337	14.5
122.09660	100.0
122.27698	9.4
122.48672	9.3
128.90195	9.0
129.23384	10.1
132.41803	9.1
150.09102	23.1
181.09576	13.3
195.66124	9.9
250.48460	11.5
304.47812	10.0
391.47705	11.9
440.57852	11.2
444.60953	11.3
506.62637	10.9
526.22955	14.0
543.24927	14.0
688.93378	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23532	5.9
57.43523	8.1
67.09380	6.2
69.40667	6.4
70.06540	8.2
82.97608	7.7
84.48736	7.6
86.09688	7.1
92.86658	6.6
96.08120	11.4
102.05527	7.4
108.08134	27.7
110.09702	13.4
120.08139	24.0
122.06093	8.0
122.09663	40.5
124.07581	14.3
130.39896	7.2
135.09178	14.7
136.07494	8.5
138.09157	29.2
138.67641	9.1
142.26736	8.3
149.10754	18.1
172.06573	8.6
177.10272	43.2
192.12651	31.2
193.13351	34.5
195.11250	51.2
223.10789	100.0
237.12436	15.1
238.13176	25.3
241.47629	8.9
291.13373	17.4
311.68134	10.3
423.13583	9.9
569.22400	13.7
706.30841	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81343	5.6
70.06580	12.3
96.08117	13.2
99.04496	7.1
108.08118	35.3
110.09700	8.0
120.08109	29.3
122.09639	42.7
124.07592	12.6
135.09158	13.8
138.08153	8.0
138.09073	36.6
149.10715	27.2
165.10228	17.2
177.10240	35.2
192.12581	41.4
193.13405	30.3
195.11263	73.1
198.20601	7.7
204.10219	11.0
221.12926	9.0
223.10762	100.0
237.12167	10.2
238.13171	22.1
261.08917	9.5
291.13464	19.6
393.75449	8.9
505.11310	8.8
569.22217	17.5
576.61847	9.9
592.65021	8.6
706.30670	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.9
57.03428	2.3
60.08149	9.3
60.83203	1.7
67.05502	3.4
69.07050	4.9
71.07356	5.2
75.95779	1.8
79.05481	2.5
81.07047	4.5
83.08620	5.2
83.17547	1.8
86.09696	44.1
87.04503	2.0
91.71021	4.7
93.07075	2.3
95.08587	3.8
97.10184	8.1
98.98489	6.1
104.10730	2.7
125.00003	18.6
125.09640	4.0
132.46405	2.0
184.07326	100.0
188.01826	2.0
189.11186	4.2
227.12776	5.7
245.13852	4.9
306.71246	2.3
339.29001	7.7
444.27148	2.5
509.38339	4.8
706.47845	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.5
69.03419	100.0
70.03742	0.6
70.63145	0.5
72.13842	0.5
86.09703	1.4
87.04446	7.0
87.04866	0.6
105.05531	1.1
112.01117	0.6
126.61671	0.6
128.07146	0.6
135.63486	0.5
155.07025	18.7
173.08165	2.1
184.07350	0.7
191.09200	1.2
241.10812	2.1
259.11798	2.6
329.01352	0.6
345.15619	1.0
649.41553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37922	9.9
58.98668	9.1
61.02909	14.7
67.05492	21.2
76.61953	10.7
79.05486	14.3
81.07014	11.8
85.02892	13.2
86.80914	9.9
87.04446	13.7
91.05476	13.7
93.07024	14.6
95.04949	13.0
95.08578	16.0
109.99074	10.6
133.81062	11.9
243.99675	14.8
389.90002	14.1
550.61780	15.5
557.00739	14.2
707.43280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81512	0.7
56.05019	1.2
57.58238	0.6
58.04111	0.7
58.06627	0.7
60.08149	9.4
62.77704	0.6
67.05479	0.9
71.07355	5.2
73.98335	0.7
86.09695	42.5
95.08553	1.2
98.98443	3.1
104.10712	3.9
124.99996	22.4
125.15282	0.7
147.84720	0.8
166.02617	1.0
184.07329	100.0
240.61722	0.7
260.42453	0.8
315.39938	0.9
414.86844	0.9
473.84302	0.9
513.15924	0.9
708.44421	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35035	1.2
60.08149	8.5
62.19138	1.5
67.05483	2.3
70.66796	1.6
71.07351	2.7
81.07033	2.2
83.08626	1.7
86.09693	40.7
98.98476	2.7
104.10754	2.8
104.21572	1.5
125.00002	17.5
135.05074	1.8
170.27193	2.1
177.96140	1.6
184.07330	100.0
217.02428	1.8
342.53830	1.9
461.27200	2.1
476.70255	2.2
640.65570	2.0
708.47937	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	99.3
79.05453	6.4
86.09692	10.3
87.04465	26.2
89.06016	100.0
91.05476	15.8
91.71017	5.1
93.07019	9.9
97.72160	5.6
102.48492	5.3
103.66302	5.8
107.08589	6.3
110.12111	6.0
113.25826	5.2
118.87194	5.4
119.08538	7.6
121.06482	34.0
130.08640	27.0
131.06993	8.3
131.99583	6.4
133.08592	80.4
137.46492	5.8
147.08040	18.7
150.06706	8.7
165.09077	9.0
171.49054	7.5
175.09662	7.3
177.11244	25.6
184.07333	13.9
200.93106	5.9
221.13954	8.8
233.19003	18.8
277.21683	31.3
680.45319	7.6
708.47888	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13174	1.0
56.96564	11.1
74.37050	1.0
80.57380	1.1
92.19357	1.2
94.04177	1.3
98.97581	35.4
116.98623	29.3
122.03648	3.0
134.99658	13.4
137.05974	41.9
140.00179	27.7
153.00763	2.3
158.01241	16.2
176.02219	1.5
181.02856	15.7
188.44713	1.3
220.00433	2.9
226.11171	7.6
229.92471	1.3
230.54012	1.3
235.02759	32.8
244.12222	4.3
249.03813	1.4
249.12830	4.8
253.03821	32.3
261.03107	1.3
267.13809	6.8
271.04868	1.4
276.05432	61.1
277.05692	2.7
290.15302	1.7
329.13461	1.4
344.15393	4.1
404.17419	100.0
408.35812	1.3
410.47363	1.5
445.20181	5.6
596.56512	2.0
661.88965	1.4
737.96631	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02621	1.7
53.03929	2.7
55.05487	3.0
57.03412	3.4
60.04515	3.0
60.08160	34.8
66.63382	2.0
67.05486	10.8
69.03423	15.8
69.07017	2.5
70.06583	100.0
71.04615	3.2
71.04980	35.0
72.08146	3.3
74.02441	13.9
76.46574	2.2
79.05480	3.2
80.37485	3.1
81.03399	10.3
81.07031	9.0
85.02908	15.3
88.07628	13.9
93.07037	6.7
95.08595	8.8
97.02886	9.0
99.04399	3.4
103.03956	2.6
107.08563	3.7
109.02876	12.1
109.10172	3.6
112.07607	11.6
113.88054	2.5
114.05552	4.1
116.07088	73.8
121.10119	3.3
123.11731	3.5
127.03908	11.1
158.08122	19.2
161.23761	3.2
202.05115	3.4
384.27505	4.8
402.55585	2.9
423.48019	3.9
479.47980	2.9
613.60120	3.8
665.41949	22.0
666.41327	3.4
709.41132	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44542	7.6
55.05492	10.1
67.05498	13.6
68.05014	6.7
68.57220	7.4
69.07059	14.6
74.89709	8.5
74.97105	7.7
75.08674	8.0
77.08495	7.0
79.05489	8.6
81.07025	14.7
93.07038	16.8
95.08537	9.7
105.07044	9.9
109.27544	7.7
131.08585	10.9
132.30838	9.0
139.99083	9.5
162.20384	10.2
171.70503	9.9
173.39491	9.1
184.07303	28.5
236.28714	9.7
521.94519	10.2
584.21606	10.0
704.81287	10.9
709.46362	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71919	6.2
70.06583	7.8
71.83301	5.3
83.90510	5.7
86.53958	5.6
101.22713	6.6
119.04960	15.6
123.19227	6.1
134.86496	6.5
147.04419	100.0
195.96190	6.6
387.23007	8.0
594.80267	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91307	6.8
54.30984	7.0
56.81641	7.3
61.70173	8.5
69.03426	7.7
79.05480	8.3
81.03430	15.5
85.02903	17.9
91.05466	45.2
91.70898	9.1
96.04511	9.1
105.07035	10.9
107.04956	29.7
107.08616	11.7
117.07024	13.8
119.08575	29.4
131.08588	10.1
133.10133	13.6
147.08022	70.7
151.07526	27.9
159.08026	29.1
189.12743	11.0
357.20514	100.0
431.65503	11.7
459.09836	10.4
461.43329	10.2
604.47131	11.4
740.59467	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	10.4
71.07356	6.9
86.09698	43.7
91.71627	4.7
95.08560	2.4
104.10735	5.4
124.99991	18.5
137.36542	2.5
184.07336	100.0
427.58609	2.5
544.76581	2.9
666.02966	2.9
710.45862	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90585	27.8
55.05494	63.9
55.17398	27.6
59.80550	36.5
67.05497	100.0
69.07050	41.7
81.07043	86.6
86.09702	57.1
91.05460	77.9
93.07063	84.8
95.04982	90.9
107.08591	36.5
109.56648	37.3
111.31476	32.4
119.08588	46.8
125.09543	53.0
145.10170	42.0
163.11115	52.7
170.51741	37.1
184.07338	76.0
291.19745	49.1
403.46188	42.4
433.56293	50.0
454.86780	45.2
516.08801	47.1
681.78156	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54536	2.5
52.67920	3.2
55.59291	3.1
55.82254	2.7
56.96563	22.9
65.06119	2.8
70.06579	10.7
71.04958	3.4
81.65409	2.8
83.19151	2.8
84.96033	10.0
98.61601	3.2
98.97573	39.9
103.33781	3.1
104.05567	3.1
106.49752	3.2
107.45418	3.6
110.97604	3.7
116.07123	5.9
116.98605	29.1
128.98604	8.6
134.99663	13.7
140.00185	40.5
140.98555	4.4
143.00156	5.5
146.99635	8.2
152.00122	5.5
152.98579	4.4
154.01779	4.2
158.01215	18.1
158.99681	9.6
161.01256	6.6
166.01788	8.9
170.01155	4.9
170.99672	9.3
173.01291	3.7
177.00687	7.0
180.84917	3.5
181.02820	18.5
182.01213	8.3
184.02785	5.0
186.00706	4.0
193.02859	9.7
194.01218	9.0
200.02362	15.4
207.04393	6.6
212.02377	5.6
219.01698	9.4
219.10030	3.8
224.02402	4.0
225.00635	4.0
236.48047	3.9
237.02846	11.1
242.03374	15.6
260.04443	10.2
281.84439	4.4
283.06094	4.1
289.09631	10.6
294.96802	4.0
307.10507	27.2
312.11096	4.6
312.75598	3.8
330.12244	100.0
331.10788	15.7
348.13193	18.4
349.11703	22.4
372.08984	5.4
372.13345	67.7
373.11655	4.3
375.09833	7.2
390.14526	4.4
391.12708	21.7
395.41827	4.1
416.12442	12.4
581.24634	11.7
689.93195	4.0
699.02863	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26308	10.4
52.73666	12.2
58.43144	11.1
67.05486	15.6
78.06657	12.4
81.07069	15.2
84.17902	12.6
85.32472	12.0
111.68188	13.4
217.12389	14.2
353.60760	17.5
711.47833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	32.3
82.51956	35.4
98.97025	38.8
108.92562	36.4
122.55022	34.4
139.29306	31.2
286.35019	43.2
337.48047	48.6
539.31018	42.6
573.94727	44.8
650.27075	52.4
682.25720	66.6
712.27148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	8.6
67.74614	1.2
70.60603	1.3
71.07361	4.5
72.58083	1.4
86.09695	41.3
98.98470	3.9
104.10727	3.0
124.99976	19.4
133.86613	1.8
148.85774	2.0
184.07327	100.0
197.98674	1.7
284.03860	1.8
623.50793	2.1
682.30536	2.1
694.43439	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02829	20.9
55.11407	24.5
56.66038	25.3
66.70613	23.0
67.05490	100.0
79.05475	50.2
81.07044	95.1
86.09707	39.4
91.05479	73.3
91.71779	26.8
93.07053	42.6
95.08585	71.2
102.65461	27.4
105.07005	80.9
109.10139	43.3
116.35337	27.1
128.16245	27.8
128.17213	31.1
131.08519	42.2
184.07332	79.9
402.02087	33.9
426.64655	40.6
511.06607	40.6
551.37292	57.1
581.73840	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	18.4
55.05508	29.2
57.03419	30.8
59.06733	17.2
61.02911	24.6
67.05505	94.8
69.03413	27.5
73.02901	29.3
79.05483	57.0
81.03410	31.2
81.07040	66.3
85.02892	46.0
91.03936	20.7
91.05486	100.0
93.07027	74.9
95.04896	23.6
95.08595	68.3
97.02886	38.0
105.07018	70.8
107.08591	51.4
109.10169	19.9
110.37035	18.5
117.07036	42.1
119.08578	42.8
121.10175	32.5
128.06337	20.6
129.06960	37.1
131.08565	62.2
133.10129	28.6
141.06958	24.4
143.08586	51.3
145.10139	24.4
155.08549	44.4
159.11781	22.9
171.11703	36.3
173.13232	21.8
181.10159	36.7
183.11763	23.5
185.13252	24.7
197.13226	21.7
248.15894	20.8
551.37213	79.4
593.45337	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46262	2.9
70.17042	2.8
74.33237	3.5
74.44237	2.4
104.61794	3.0
119.55734	2.6
156.61380	3.1
201.88579	3.2
215.15529	6.5
225.10233	4.9
226.11031	11.0
226.76949	3.3
229.52989	3.5
241.13321	100.0
242.13708	3.5
269.12784	17.0
337.58298	3.5
362.29968	3.5
410.31476	4.0
686.31689	15.1
714.31458	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40424	14.1
54.14331	12.1
55.05494	18.4
57.07050	21.7
66.79835	13.9
67.05482	43.7
71.07346	20.2
72.06599	16.5
79.91731	15.2
81.07053	44.8
81.32458	18.0
86.09700	100.0
95.08617	40.5
142.24225	17.6
146.98172	21.5
151.11147	16.8
160.01454	14.9
184.07397	40.4
200.46201	18.0
229.49802	17.2
232.12196	17.5
253.14194	18.9
479.52911	16.8
531.36603	30.3
542.43762	18.4
591.06689	18.7
655.35791	74.0
714.42108	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00510	10.1
50.35577	11.0
52.82473	10.8
54.42028	11.8
55.05502	17.2
57.03425	13.7
57.07070	20.1
57.44694	12.5
59.71213	13.0
61.02914	22.7
67.05486	66.5
69.03442	28.6
69.07055	30.2
72.34846	14.0
79.05476	52.6
81.07036	68.3
85.02910	49.1
85.09940	14.2
86.09716	15.7
86.23733	17.2
89.62396	14.2
91.03956	17.8
91.05462	86.2
91.71640	29.0
93.07039	72.6
95.04969	19.6
95.08590	60.1
97.02901	34.6
97.06575	16.7
105.07032	73.6
107.08597	27.8
109.41349	14.2
117.07016	47.8
119.08610	45.4
121.10158	31.2
129.05516	16.5
129.07057	20.3
130.38213	15.0
131.08569	49.6
133.10147	21.6
143.08557	25.2
145.10144	27.7
151.11124	17.8
155.08458	19.3
157.10190	21.2
158.13812	14.5
169.10132	31.7
171.11700	19.2
184.07405	26.3
185.13254	23.1
198.26773	16.2
255.02747	15.6
271.57834	14.7
278.30914	15.3
463.41406	16.8
553.38922	100.0
715.43732	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	23.1
55.05495	17.5
57.03426	23.2
57.07061	9.4
58.80634	7.0
61.02914	46.3
67.05499	96.0
69.03416	23.3
69.07052	31.4
73.02897	21.5
79.05482	60.6
81.03413	13.7
81.07043	79.8
83.08602	10.9
85.02895	38.2
85.06513	6.9
91.03944	15.6
91.05473	83.3
93.07032	71.0
95.04951	19.4
95.08604	57.4
97.02891	38.2
97.06538	9.4
100.97748	7.3
103.18258	9.0
105.07023	71.2
107.04969	8.5
107.08588	27.7
109.10144	17.3
117.07021	43.7
119.08555	42.7
121.10152	34.0
126.13509	8.1
126.25361	8.1
128.06247	12.1
129.05498	10.0
129.06989	44.4
131.08549	57.5
133.10155	26.7
134.98003	9.2
141.07008	24.4
142.07803	8.7
143.08568	36.1
145.10118	36.4
149.13214	12.3
154.07832	11.1
155.08572	30.6
157.10127	25.4
158.52638	9.8
159.11685	13.4
169.10150	26.8
171.11702	19.3
175.11221	19.5
181.10130	17.6
183.11736	20.5
185.13258	15.1
187.14905	9.8
193.10159	15.3
195.11697	17.1
197.13222	12.4
199.14815	16.4
211.14824	13.1
221.13251	12.6
239.18039	9.2
243.21191	8.5
253.19547	10.4
311.23550	9.1
461.33954	19.4
535.37311	10.9
553.38910	100.0
649.70093	9.6
715.43549	20.1
748.73273	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77148	4.1
66.16381	4.4
67.05502	13.8
69.07061	5.2
79.05511	6.6
81.07076	8.3
83.73648	5.8
85.59604	4.9
90.68931	4.9
91.05499	5.8
91.71700	7.4
93.07059	8.0
96.65263	5.7
97.54362	5.0
109.10197	6.0
111.87821	5.2
117.57358	5.4
120.54431	5.3
139.83597	5.5
184.07414	7.5
200.29788	5.2
479.75183	6.8
607.64709	7.3
647.03729	6.4
715.43884	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22651	17.7
55.05494	41.9
58.06592	16.4
64.71043	19.3
65.82935	24.6
67.05497	41.0
69.07059	20.8
73.81026	19.6
79.05493	51.0
81.07050	70.4
83.08622	25.1
91.05474	100.0
93.07023	52.3
95.08582	42.2
105.07010	41.2
117.07037	29.1
119.08559	28.4
120.00635	22.6
120.68359	21.6
121.10120	24.0
123.08770	24.7
128.37894	21.3
131.08606	38.0
141.06946	24.9
157.10130	42.1
166.22174	22.3
199.43028	30.8
241.42548	25.2
257.96555	22.5
264.48801	25.5
312.39413	25.2
349.98987	27.7
546.41565	28.4
553.39600	26.9
599.13666	26.1
685.62012	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37144	31.8
60.96627	34.2
61.02897	46.3
66.96313	34.8
67.05486	73.7
76.56046	35.7
79.05482	62.9
81.07065	97.4
91.05473	100.0
93.94892	41.4
95.08626	73.3
98.10117	43.9
104.59126	39.6
105.07023	67.0
107.08617	51.7
122.84413	41.1
125.01460	48.8
131.08621	50.8
139.33199	41.9
148.45496	50.4
158.18822	60.9
193.16733	48.2
208.42894	43.8
347.19528	52.6
372.02798	43.5
455.37244	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.6
68.44926	3.8
81.26962	4.7
84.04511	13.4
84.93697	3.7
90.15171	4.0
102.05533	7.1
108.04502	7.8
128.21194	4.4
141.67299	4.0
145.12447	4.2
148.07614	7.3
159.08195	5.9
206.89598	4.5
207.64044	4.9
241.13594	6.3
255.11383	16.5
297.12405	13.2
315.13458	14.4
349.44907	4.7
444.17621	100.0
450.21927	6.5
716.26935	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70472	16.8
60.85939	16.2
66.28185	19.1
68.38958	16.8
73.14488	17.0
88.73720	21.4
112.29959	20.0
120.08092	38.8
134.06030	70.6
146.06018	72.9
166.08759	30.6
227.11870	47.7
239.11786	61.0
251.11650	41.6
253.13432	40.8
263.28574	24.0
281.12991	36.4
293.12903	33.2
295.12747	100.0
299.13675	49.0
339.70035	21.8
365.43097	26.9
418.19763	28.4
428.18335	72.0
440.17960	36.3
551.24799	55.4
593.26044	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60329	25.4
61.68249	23.3
63.82090	22.8
76.34104	26.9
90.57243	27.8
102.67042	30.7
103.03014	28.5
120.08158	37.6
146.06053	100.0
153.16908	32.8
166.08626	30.5
181.69742	31.9
273.66559	31.0
280.61002	33.1
295.12891	63.8
299.14227	41.0
306.49051	39.3
339.17987	37.1
593.26080	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56833	3.0
60.08150	9.5
69.43515	3.3
71.07378	4.1
86.09703	42.2
89.06018	10.3
98.98456	3.4
100.12386	3.9
100.45982	3.0
104.10750	4.4
123.65173	3.3
124.99970	22.0
133.08609	6.0
156.28911	3.8
184.07321	100.0
184.08916	5.3
233.98206	3.3
255.76793	4.4
279.91589	3.3
313.27231	3.7
533.18634	4.1
716.47925	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08155	8.6
57.19675	10.3
60.53792	7.6
60.79701	8.5
67.05499	11.1
69.07046	9.2
74.75238	8.9
86.09686	9.5
93.07045	11.9
96.05255	9.3
109.10175	11.0
184.07407	11.8
204.71556	11.1
265.24164	10.1
282.52426	12.6
285.86029	13.1
390.82385	11.7
502.22812	12.7
574.02698	13.1
717.45660	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26228	10.4
55.05498	28.8
57.03404	13.9
61.02908	33.1
67.05489	67.0
69.07056	30.2
71.56072	13.3
73.02906	18.9
79.05466	39.3
81.03416	13.3
81.07035	56.6
81.82929	12.5
82.40237	13.5
85.02895	15.9
86.09720	18.1
91.05479	71.2
93.07055	42.3
95.08600	59.6
97.02898	24.1
100.45316	12.8
105.07012	45.9
107.08595	39.6
109.10128	14.7
117.07045	27.0
119.08589	35.3
129.07011	27.0
131.08566	28.3
133.10077	20.4
143.08554	22.6
145.10161	18.2
157.10155	22.7
181.10176	20.2
184.07381	25.6
220.10060	14.6
259.53329	13.6
389.20093	14.8
463.35522	27.8
555.40405	100.0
717.46368	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45935	17.2
53.56661	16.9
55.01867	28.5
55.05496	33.9
57.03415	23.1
61.02922	16.0
63.26403	15.7
67.05487	73.5
69.03425	23.7
69.07056	22.1
73.02904	21.4
78.71204	18.5
79.05473	41.7
81.07045	76.0
85.02860	21.4
89.06002	49.5
91.05459	67.9
93.07047	62.1
94.54364	20.8
95.08601	68.0
105.07024	48.2
109.10161	28.8
117.07013	24.4
119.08566	55.4
129.06941	27.7
131.08519	44.7
133.08595	37.1
133.10162	28.3
145.10085	22.7
157.98283	21.1
173.58684	23.1
318.58966	30.7
435.64740	25.2
555.40436	100.0
605.79730	24.4
717.46112	54.0
721.52008	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	5.3
53.03969	7.4
55.01881	5.7
55.05505	15.0
57.03451	10.2
61.02919	38.5
65.03978	6.0
65.10552	5.3
67.05492	100.0
67.05821	5.9
68.53667	5.0
69.03445	5.8
69.07074	17.7
73.02927	7.3
73.70534	5.5
77.03954	6.6
79.05489	57.7
80.64039	5.6
81.03428	6.3
81.07050	87.2
83.08652	7.2
85.02903	66.1
85.06571	15.1
90.04641	5.5
91.03934	34.1
91.05460	98.6
91.05939	7.7
93.07030	71.4
95.04977	11.0
95.08604	56.8
97.02912	24.9
105.07016	74.4
106.31890	6.6
106.91755	5.3
107.08565	31.9
109.10198	29.3
117.07006	57.5
117.87891	5.8
119.08570	64.1
121.09429	10.5
121.10134	46.1
123.11763	17.4
127.03923	13.8
129.05548	13.9
129.06987	36.1
131.08557	70.7
133.10103	56.1
135.11725	25.7
141.07054	14.8
143.08543	33.3
145.04997	20.8
145.10112	42.0
147.11737	22.8
149.09697	19.6
149.13353	18.3
151.25398	7.1
155.08582	14.6
157.10179	18.7
159.11746	31.9
161.09660	10.9
161.13335	18.1
163.06068	22.7
163.11212	9.4
168.09552	7.2
169.10172	10.3
171.11804	28.7
173.13228	31.0
175.11229	9.9
175.14896	18.5
177.12863	7.9
183.11786	19.3
185.02951	6.8
185.13354	17.6
187.14854	18.6
189.12691	11.0
190.74509	6.7
197.13295	17.3
201.12747	8.2
201.16336	33.4
211.14896	18.8
239.17923	9.8
243.21191	9.6
257.19223	10.9
267.21057	50.5
283.63504	7.2
285.22104	45.5
303.23083	9.0
377.26959	19.4
554.44678	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68216	0.9
60.08166	7.3
60.22880	0.9
65.14248	0.8
67.05491	1.5
71.07365	3.8
81.07045	1.5
83.28015	1.2
86.09697	39.4
89.10899	0.9
91.05466	1.0
91.71021	1.9
98.98491	3.4
101.84436	1.2
104.10752	3.3
124.99995	22.2
133.08589	1.1
137.77719	1.1
141.45729	1.1
166.02728	1.4
168.59250	1.0
184.07332	100.0
197.64159	1.1
269.13971	1.2
340.83972	1.1
392.75967	1.1
482.33478	1.2
718.46039	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62731	1.5
54.13262	1.5
55.06072	1.6
60.08160	9.9
60.47262	1.6
69.07048	2.2
71.07359	5.3
81.07062	2.0
86.09695	40.0
91.48607	2.1
98.98480	2.2
124.99995	18.7
148.26118	2.1
184.07336	100.0
369.04156	2.5
679.91077	2.9
718.45905	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58736	24.3
54.69740	28.7
67.05521	26.9
69.03425	49.7
72.48102	33.4
79.05499	34.1
81.03425	49.6
81.07044	42.2
84.04479	64.4
85.02905	40.6
91.05494	45.7
93.07049	36.6
95.08607	40.7
97.02870	35.2
98.32912	27.7
99.05028	33.7
100.21741	27.8
105.07035	67.8
109.02863	55.0
119.08560	36.7
121.06519	63.7
121.10175	62.3
127.03933	66.7
131.08604	53.8
133.10097	66.5
135.11638	51.6
142.07750	42.0
142.70195	33.6
143.08556	40.6
145.10138	56.1
145.65309	31.9
157.10144	41.0
159.08049	100.0
175.14821	38.9
185.09590	50.0
185.13271	51.2
199.14868	36.7
241.61795	38.1
243.91444	34.9
265.42569	34.4
307.20474	81.0
307.36319	42.4
386.56155	38.8
446.23318	45.4
574.04596	43.1
634.85461	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57371	41.0
59.33803	42.5
62.49328	43.6
63.00283	43.1
65.39691	44.9
66.61482	41.0
75.26551	57.7
84.04478	49.1
103.76928	51.2
105.07047	81.0
114.91006	53.2
121.06512	75.8
121.10190	65.3
133.10168	100.0
157.10085	65.3
159.08119	88.6
184.07468	58.9
190.26630	53.4
243.40755	56.8
307.20721	88.9
338.51437	65.0
366.19583	66.1
381.61633	63.4
418.10095	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	36.9
58.08278	26.2
62.95599	29.9
64.89960	31.4
67.05483	27.5
69.07043	57.7
71.60963	32.3
81.07058	100.0
83.08602	49.4
84.04491	47.7
86.55494	31.7
95.08569	77.1
97.10184	36.4
109.10133	62.8
123.11697	46.8
148.06059	94.7
184.07405	98.7
196.88428	32.9
256.05026	35.9
295.78836	36.2
307.26434	52.4
310.13306	41.3
454.31677	52.3
565.66223	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	22.1
57.07061	25.3
59.25182	6.5
61.02919	68.3
67.05491	83.9
69.03397	7.3
69.07047	19.8
69.09290	7.1
73.02902	18.4
79.05481	39.5
81.03420	9.0
81.07048	98.1
83.04967	9.6
83.08601	14.6
85.02892	70.7
85.06530	13.8
86.09657	9.8
91.03937	43.2
91.05473	88.5
93.07041	84.2
95.04987	9.6
95.08596	55.2
97.02887	39.5
97.06514	11.1
104.84124	8.6
105.07039	84.0
107.08585	42.3
109.10165	25.8
112.10081	7.8
117.06986	44.5
119.08569	64.7
121.10146	59.3
123.11727	8.7
127.03891	14.7
129.07013	21.1
131.08568	54.2
133.10149	50.6
135.08047	19.9
135.11742	18.9
137.13232	11.6
143.08546	26.3
145.04977	25.5
145.10114	29.6
147.11691	31.1
149.09622	23.4
157.10120	23.9
161.09650	9.4
161.13268	19.3
163.06055	30.6
167.19572	9.3
171.11703	36.3
173.13214	13.6
175.11140	9.4
175.14841	20.0
177.16447	10.7
184.07349	14.6
185.13283	28.2
189.16415	21.1
199.14810	15.2
201.16440	14.8
203.17978	47.9
213.16344	11.1
245.22624	10.6
259.24164	10.6
269.22623	82.7
287.23621	100.0
379.28787	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44469	6.0
55.05486	21.5
57.03428	9.8
57.07069	19.4
57.18097	5.4
60.61883	5.1
61.02922	39.7
67.05495	98.2
69.03410	9.8
69.07065	18.3
73.02903	26.3
76.83677	5.8
79.05484	47.2
81.07053	95.6
83.04999	9.2
83.08619	11.3
85.02892	68.0
86.09676	6.4
91.03946	43.5
91.05466	98.8
93.07034	74.7
95.08604	68.6
97.02885	30.9
105.07026	87.7
107.08600	45.7
108.02309	5.7
109.10149	15.7
110.72307	6.7
117.06973	37.5
119.08580	63.3
121.10156	48.1
127.03946	13.7
129.05486	11.5
129.07024	30.6
131.08571	54.7
133.10118	55.6
135.08052	7.5
135.11671	29.7
137.13257	12.0
143.08563	26.5
145.04977	16.3
145.10149	33.5
147.11684	28.7
149.09645	20.2
149.13243	9.6
150.81213	7.0
157.10129	22.9
159.11647	13.7
161.09619	17.1
161.13263	20.2
161.83437	6.3
163.06001	16.4
168.50949	7.8
171.11665	28.7
173.13289	11.9
175.11145	11.6
175.14833	27.0
185.13242	33.7
187.14734	9.2
189.12737	9.4
189.16429	18.4
191.17862	8.5
199.14771	12.4
201.16405	8.8
203.17929	36.4
221.88713	7.9
237.76884	7.2
245.22620	10.0
259.24152	12.9
269.22672	67.3
287.23663	100.0
311.12000	6.5
361.27521	21.8
379.28442	57.3
426.78073	6.9
438.52667	7.7
498.14493	8.7
523.32324	8.2
547.04016	8.9
721.22833	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05117	2.6
60.08157	9.6
61.28455	2.6
64.29457	2.6
71.07356	7.5
71.83520	3.5
86.09697	63.5
93.71106	3.2
98.98443	3.7
104.10731	4.3
111.18677	3.1
120.90574	3.3
124.99987	17.6
125.06023	3.5
130.57330	3.5
136.76920	3.1
149.99016	3.4
151.44020	4.0
167.00755	3.8
184.07336	100.0
211.15001	3.5
259.68826	3.5
720.45435	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46515	20.0
56.62474	19.1
56.70954	21.5
67.05524	23.7
70.06577	34.1
71.94001	22.2
86.09676	44.7
86.59478	24.0
115.94724	23.6
150.86623	27.8
186.24124	33.4
201.06581	31.6
213.10156	42.7
217.09811	34.3
242.13300	32.3
261.08957	41.1
348.11902	86.3
418.12714	38.0
472.79105	28.5
704.29248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22307	11.0
56.46711	11.6
60.04512	11.9
77.61414	12.0
79.92618	11.4
83.13315	11.9
87.28369	11.5
91.70730	9.2
91.70992	22.6
96.08139	20.5
99.74699	11.1
110.09685	37.6
114.53187	12.8
120.08143	16.7
138.09152	100.0
243.07642	13.2
252.85892	15.2
261.08636	13.7
348.11655	29.2
485.21005	15.4
544.05438	17.7
624.45068	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27685	6.3
65.82712	7.0
93.07036	12.7
95.07363	10.8
96.08179	9.1
105.32381	7.6
106.04992	9.8
108.08135	8.2
110.09675	30.4
120.08085	19.8
138.09149	100.0
141.56935	8.8
157.32756	9.6
164.07021	14.5
172.31233	7.9
191.08022	11.3
227.79027	10.3
230.08011	11.2
246.89116	8.0
267.76660	11.5
306.71707	9.0
359.12357	20.3
385.71454	9.7
408.09979	9.4
522.54712	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86532	9.7
75.54588	11.5
79.42422	10.5
88.53366	10.9
110.09730	12.6
111.33379	12.6
120.08051	18.7
122.09681	23.8
135.09192	21.2
138.09122	47.7
142.44742	12.3
143.50316	12.6
147.09148	18.6
159.09196	19.8
161.10732	15.4
165.10226	19.5
178.38284	13.2
190.10999	23.0
193.09665	15.9
211.10736	43.2
211.73157	15.0
239.10255	100.0
254.12729	16.6
277.13712	13.3
372.70062	16.9
434.97842	14.4
585.21643	16.3
722.30542	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30708	16.6
72.70696	18.2
83.02390	16.1
86.58715	17.8
93.17071	22.0
115.44878	21.1
120.05512	17.4
131.17329	17.4
134.38974	18.4
146.09657	27.1
152.31964	16.8
177.08838	17.7
196.65883	19.5
201.06584	57.1
204.62289	24.8
214.07556	20.2
217.09737	71.9
220.09813	23.8
261.08685	45.4
348.11859	100.0
360.61325	25.2
374.67548	21.2
400.11047	22.1
418.12390	35.4
485.20267	49.7
567.21063	36.9
704.28864	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.46
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84223	0.9
54.49485	1.1
56.05034	1.0
58.06607	1.0
60.08154	9.1
64.27460	1.1
67.05508	1.7
69.85848	1.0
71.07351	4.8
74.49560	1.1
78.11824	1.0
78.47392	1.0
79.65087	1.1
81.07059	2.1
83.30904	1.3
84.59572	1.1
86.09701	47.1
89.05940	1.2
91.71030	2.9
95.98914	1.2
98.98452	3.0
103.49403	1.1
104.10721	3.4
124.99995	20.5
154.61920	1.1
166.02586	1.4
184.07341	100.0
185.07785	1.8
195.43590	1.2
447.65768	1.7
647.58734	1.5
722.45905	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51063	4.8
57.07062	7.2
58.75989	4.8
59.49222	4.8
60.08145	10.6
67.14755	4.2
67.91238	4.3
71.07331	4.8
71.08620	17.6
81.06992	5.7
85.10139	7.3
86.09688	40.6
87.04441	10.1
87.27296	5.2
89.06028	16.6
91.05472	5.8
91.71601	5.0
94.91490	5.3
101.92227	4.9
104.10759	5.6
106.90342	6.5
125.00014	23.7
129.69261	5.5
130.08640	6.7
133.08594	15.4
184.07326	100.0
194.66351	5.8
202.87677	6.2
236.44803	6.1
238.02629	5.2
263.80014	6.2
459.19229	6.5
577.75629	7.1
752.84338	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10493	1.2
53.77849	1.2
60.08148	8.7
67.05475	1.7
69.07095	1.4
71.07359	4.4
77.99614	1.3
83.13802	1.5
83.51037	1.4
86.09696	43.7
98.98462	4.4
104.10751	3.5
108.95569	1.5
125.00000	24.1
125.05130	1.7
158.48232	1.9
182.18570	1.6
184.07330	100.0
218.20914	1.8
280.67676	1.6
293.03860	1.7
422.87851	1.8
433.35486	1.9
444.27747	1.8
455.54352	1.9
720.17853	2.4
722.46539	9.7
730.63940	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	32.3
59.07418	10.6
70.93426	9.8
71.08622	57.6
80.36205	11.5
80.81583	10.8
81.07079	11.8
85.10175	35.2
86.09686	32.7
87.04453	34.9
89.06019	100.0
91.05470	28.2
114.35568	10.5
119.08517	10.9
121.06503	24.5
125.00002	13.2
125.98184	10.3
130.08611	28.9
133.08604	95.7
140.07152	11.6
145.99799	13.1
177.11238	24.4
182.10442	12.0
184.07378	49.0
193.20731	11.4
247.20488	15.2
272.11725	12.3
291.23215	40.6
335.26035	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14337	5.5
55.19414	5.9
56.52944	6.0
59.93757	7.9
61.12459	7.0
87.02225	7.3
129.85414	9.8
183.72743	7.6
199.87137	7.9
291.77115	7.8
561.30237	22.3
688.68890	10.2
723.35553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	28.0
61.01154	10.4
65.53867	2.0
69.07057	5.9
70.06596	4.0
73.34418	2.4
86.09696	78.3
90.76948	2.2
96.94135	2.4
104.05322	100.0
116.81824	3.0
119.05012	3.3
136.07549	12.2
140.17099	2.7
179.06819	2.4
187.95767	2.5
245.09492	16.8
277.15445	3.5
313.52594	2.9
313.56342	3.0
330.18304	6.3
336.79633	2.8
355.01871	2.7
358.17844	39.8
470.44003	2.8
471.26709	11.3
620.35468	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	22.4
80.26659	17.7
83.14169	17.8
93.07048	19.7
161.14561	18.8
226.17757	25.1
279.62277	20.6
296.11234	20.6
320.02130	21.2
723.39026	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34055	0.7
52.81036	0.8
66.69053	0.8
69.03418	100.0
70.61906	0.7
87.04464	6.4
148.98543	0.9
155.07014	20.4
173.08122	2.6
184.07449	1.0
222.10982	1.0
241.10707	3.9
259.11777	5.2
268.61014	0.9
277.12888	1.1
329.34393	1.1
345.15366	2.3
684.43341	1.2
710.97534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56637	4.2
51.59099	3.8
55.01854	16.0
55.05492	19.7
57.03423	20.0
57.17682	3.8
58.37105	5.4
64.74334	4.2
65.03922	6.7
67.05496	81.4
69.07047	17.2
77.94637	3.7
78.97263	5.2
79.05477	42.1
81.07048	76.6
83.08602	7.1
84.78092	4.4
85.02884	5.6
86.09680	9.3
91.05472	94.6
93.07026	58.8
95.04946	8.0
95.08598	47.2
97.10139	5.2
97.47365	4.9
105.07018	93.5
107.08586	21.2
109.10165	15.2
117.06963	14.0
119.08574	53.2
121.10120	11.3
129.05444	7.5
129.06996	24.7
131.08575	45.4
133.10141	48.6
135.11687	10.8
142.07791	8.8
145.10152	13.1
147.11703	25.2
149.13214	5.6
154.84052	5.3
155.08560	6.0
157.10156	33.0
157.11229	6.0
159.11731	9.9
169.10109	10.1
171.11716	8.1
173.13251	9.2
175.11182	100.0
177.12740	14.0
184.07355	14.8
191.84975	6.0
194.59926	6.4
195.11632	6.5
203.88930	5.0
225.16426	6.2
317.86511	5.9
335.25793	87.9
341.97861	7.6
392.80328	6.4
436.89267	5.9
527.37201	18.0
642.48737	5.8
685.05493	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11154	11.9
55.01879	30.2
57.03436	15.9
59.02365	10.8
59.88202	12.2
62.97848	12.5
67.05500	100.0
68.26002	15.1
69.07060	18.5
78.54961	14.4
79.05505	49.3
79.62437	14.9
81.07052	85.3
86.09727	24.5
91.05474	93.5
93.07034	86.5
95.04967	16.9
95.08617	43.0
105.07016	88.9
107.08602	31.2
117.07054	28.2
119.08611	56.3
121.10199	33.6
125.00006	16.0
125.65790	13.6
128.45901	13.4
129.05504	15.7
129.07071	35.7
131.08617	52.3
133.10205	44.6
133.34233	15.7
143.08559	19.6
147.11667	36.6
148.05731	16.2
157.10217	45.2
159.11691	22.1
175.11165	94.9
177.12698	17.2
184.07401	68.5
261.88177	19.8
335.25906	48.3
393.03638	20.3
604.28479	18.4
685.56293	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	8.5
67.05490	1.9
69.03416	0.8
71.07367	4.5
79.58557	0.7
81.03402	0.8
81.07069	1.7
86.09696	38.9
91.05511	1.1
95.08636	0.9
98.98444	2.5
104.10730	2.4
119.08598	1.3
124.99992	20.3
133.20828	1.0
135.43283	0.8
184.07327	100.0
189.27438	0.9
209.27084	1.1
214.46368	1.0
231.02249	0.9
292.82037	0.9
443.33078	1.0
688.45221	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86874	5.7
50.99771	5.5
55.49989	5.9
57.77199	5.6
106.63147	6.8
126.40117	7.4
151.13428	7.8
177.54596	8.9
183.26816	7.9
214.85001	7.8
250.20195	8.5
302.62198	9.9
318.28580	8.7
399.54129	8.6
528.26569	9.1
563.31921	10.8
653.46948	8.8
725.36877	100.0
753.62494	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72689	5.4
55.05514	11.6
61.02941	6.8
67.05511	19.1
69.03462	6.3
69.07065	12.4
69.47574	5.7
71.08644	19.2
79.05482	13.2
81.03431	11.1
81.07082	15.3
83.08642	9.8
85.02906	9.9
85.31878	6.1
91.05496	10.5
93.07039	13.1
95.04989	11.0
97.02895	9.2
105.07037	8.9
105.13674	7.7
107.08611	11.4
121.06572	9.6
125.06100	7.1
148.40784	6.7
168.29451	6.6
196.27936	8.4
218.90417	7.1
285.16998	23.4
293.21069	100.0
317.56885	7.1
367.24701	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.9
64.44707	9.2
67.05518	16.9
69.07077	15.1
71.08622	21.0
79.05471	18.1
81.03426	14.6
81.07039	16.6
83.08640	10.7
91.05521	17.3
93.07077	9.8
97.10174	9.7
107.08664	9.4
113.83662	9.3
118.26450	9.8
125.09632	13.0
131.08571	9.8
174.46629	9.7
179.48969	10.5
183.48956	8.8
188.02841	10.2
271.50027	10.3
285.17105	12.4
293.21091	93.9
361.68970	11.6
367.24774	100.0
643.67645	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42817	2.4
52.73618	2.1
59.03521	1.7
60.08138	6.5
61.55133	2.0
71.07361	7.3
74.25822	2.0
86.09699	44.6
87.83238	2.1
98.98501	3.1
104.10749	3.8
124.19849	2.3
124.99999	22.5
184.07333	100.0
245.64911	2.4
253.79536	3.2
322.85715	2.3
629.00812	3.0
634.63647	2.9
726.45459	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.2
60.08163	9.6
60.25389	1.6
62.01271	1.3
67.05493	3.0
69.07068	2.1
71.07370	4.6
79.30199	1.7
81.07053	1.6
81.70450	1.4
83.37382	1.4
86.09698	43.7
94.45264	1.4
95.08618	2.0
98.98461	5.0
103.32573	1.5
104.10729	3.3
109.10151	1.6
122.45634	1.5
125.00004	20.1
133.25421	1.6
133.26367	1.8
141.20750	1.8
169.66182	1.8
184.07327	100.0
194.80431	1.8
214.76976	1.6
222.46727	1.7
322.98050	1.7
348.58337	1.6
387.77759	1.8
467.37454	1.9
726.46564	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	12.5
55.05509	30.3
57.03446	18.6
57.07067	6.7
58.89348	3.7
67.05495	80.3
67.05824	5.3
69.07059	29.5
71.05008	7.2
79.05478	26.3
80.25565	3.9
81.07050	66.7
83.05000	4.7
83.08590	10.8
91.05466	77.5
91.05939	6.0
92.63853	5.0
93.07032	42.7
95.05005	8.9
95.08597	45.7
105.07027	70.3
107.08629	22.0
109.10191	14.4
117.07047	10.1
119.08575	52.9
121.10194	11.0
129.05519	10.0
129.06990	27.2
131.08560	39.2
133.10120	36.3
135.08069	6.4
142.07811	7.3
143.08591	6.8
145.10191	8.4
147.11676	27.8
157.10167	26.6
165.16498	6.0
175.11169	100.0
177.12706	11.3
197.82634	5.5
249.14838	6.6
301.98282	5.9
337.27252	78.1
337.30679	6.7
437.33923	7.1
529.38934	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18067	14.7
55.05499	19.4
57.03446	24.3
60.17845	13.8
67.05489	87.2
69.07039	23.2
71.04964	18.3
79.05485	29.5
81.07046	84.5
86.09692	43.6
88.69272	14.4
91.05466	100.0
93.07038	38.3
95.04993	26.0
95.08588	44.3
105.07025	55.8
109.10142	17.7
115.10973	16.3
117.07027	22.1
119.08559	23.9
120.85378	15.7
124.99989	20.9
129.06963	27.7
131.08572	23.5
133.10118	33.9
135.31178	23.5
137.51357	18.5
142.07765	20.6
143.29254	17.3
145.10236	18.1
146.95253	17.9
147.11719	33.3
149.01859	17.0
175.11150	82.9
177.12671	18.6
179.13849	15.8
184.07414	89.9
199.57587	18.3
337.27551	43.6
342.75464	22.9
436.40057	19.1
726.45996	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49992	4.8
60.66238	4.5
67.44959	5.2
70.14040	5.8
72.08147	100.0
91.09697	4.7
98.26900	5.2
105.06966	7.2
120.08101	11.4
153.08929	10.6
169.71115	5.4
188.14394	16.5
190.02176	5.7
209.68234	5.9
216.14931	6.4
244.14352	31.1
256.73242	6.7
286.22794	22.3
314.22229	63.8
373.29507	54.2
382.44934	6.3
538.88208	6.3
581.39337	7.7
657.27161	6.4
757.18652	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78539	56.0
74.59610	59.7
91.71587	87.3
138.89523	86.4
146.46663	88.2
188.56032	91.0
292.49295	100.0
301.67419	87.3
325.63870	99.5
417.00226	93.0
508.32538	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	10.0
63.12108	1.3
67.05498	3.2
71.07349	5.2
74.51309	1.3
75.63978	1.7
81.07037	1.8
86.09697	40.7
91.05521	1.9
91.71059	3.5
93.07049	2.1
95.08614	2.2
98.98458	5.0
103.04060	1.7
113.76590	1.8
124.99995	20.5
148.20050	1.6
181.26248	2.2
184.07339	100.0
214.08701	1.8
300.87018	1.8
551.36108	2.3
728.47614	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40014	3.4
55.01851	9.8
55.05497	16.5
57.03430	7.2
57.07064	11.9
58.55633	3.5
67.05489	22.7
69.07063	23.8
71.05000	5.6
71.08588	6.6
71.67123	4.5
79.05474	11.3
81.07021	26.2
83.08604	14.5
86.64708	4.7
91.05464	40.9
93.07039	13.5
95.08577	13.6
97.10155	6.8
102.16609	4.6
105.07030	41.6
107.08611	6.9
109.10143	7.7
114.15623	5.0
119.08567	29.0
121.10159	8.7
129.05507	10.9
129.07013	18.5
131.08548	26.4
133.10139	28.9
135.11693	6.6
137.12154	4.4
142.07748	6.7
147.11688	21.3
157.10139	21.6
166.93613	5.1
175.11182	100.0
339.28860	98.9
347.84253	6.1
350.83441	5.9
531.40527	6.1
572.21484	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
79.03593	7.7
94.47909	7.5
104.53379	7.3
106.31603	7.2
184.07382	24.7
195.06334	41.8
213.07259	19.8
216.40120	9.0
229.34695	9.0
281.09998	64.5
299.10992	10.8
367.13605	23.2
729.29346	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40025	13.1
67.05508	34.0
76.76542	14.0
81.03414	15.8
85.02937	15.7
91.05487	22.0
95.08632	24.2
98.07509	15.9
109.46219	14.1
111.68906	14.8
149.22771	14.8
184.07454	19.4
235.27394	16.9
262.76294	16.5
307.27960	18.6
374.30432	17.2
518.30975	19.2
601.05438	24.1
680.47180	21.7
729.41650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90705	6.8
67.05497	17.7
69.03412	7.2
69.82524	7.4
79.05476	15.9
81.07052	11.8
84.01288	7.9
85.02918	19.2
91.05467	16.8
93.07052	13.6
97.02892	12.7
105.80334	8.0
157.36438	9.7
163.82890	8.8
260.93918	8.8
410.58517	10.9
729.41602	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49467	10.2
61.02877	11.1
67.05499	21.2
69.53197	11.1
81.07041	19.2
86.09717	19.4
90.19887	11.1
91.05499	22.6
93.42867	10.5
97.02899	13.4
109.10204	12.9
124.60860	15.4
184.07387	53.7
304.09491	13.5
457.43314	16.8
552.78326	17.1
721.68445	17.4
731.42517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	3.2
57.03427	7.0
61.02900	11.0
67.05487	18.1
67.42868	3.5
68.15022	3.2
69.03413	7.9
69.07055	6.9
73.02908	7.8
74.26659	3.4
74.91567	3.2
79.05467	5.7
81.03419	4.3
81.07045	15.9
85.02890	9.3
86.09679	3.7
91.03924	7.9
91.05466	15.3
93.07029	6.0
95.04991	4.2
95.08598	15.0
97.02908	11.7
101.02412	4.3
105.07006	8.3
109.10091	4.2
119.08630	6.5
129.07001	4.0
131.08522	5.0
133.10118	5.3
146.30719	3.8
184.07344	7.4
194.87381	3.6
226.90106	4.2
293.61801	4.0
521.30707	7.2
589.46228	4.4
595.10675	5.4
688.17755	5.3
731.43250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	32.2
71.01189	8.8
74.30069	11.0
83.08583	9.2
86.09721	12.9
91.05464	10.9
99.90716	9.2
129.65080	11.4
184.07378	31.0
190.25412	11.3
211.63361	12.1
230.83743	13.6
263.50177	12.3
268.26685	10.8
502.33521	13.3
562.30634	14.7
655.17120	13.5
731.51001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23117	45.7
63.30040	48.1
76.21069	62.1
93.74715	51.7
107.42469	58.0
112.62051	59.8
117.13005	61.7
121.10173	76.6
135.49185	76.5
155.57779	68.1
201.76355	68.9
201.87019	69.1
230.46654	70.2
287.14096	99.7
292.92392	70.8
308.04398	87.4
388.20395	74.5
406.37592	67.7
696.29761	100.0
756.50146	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67551	1.4
55.01877	1.5
56.96828	1.4
70.06568	2.5
84.04501	14.7
84.04913	2.4
86.09716	2.4
102.05540	6.1
103.60787	1.8
108.04498	7.5
116.60992	1.7
130.04982	3.5
148.06122	2.8
148.07562	6.1
150.05508	6.8
167.08182	2.4
213.10219	2.3
215.11655	2.2
218.83279	2.3
226.08693	2.5
226.11072	2.2
227.11749	3.4
252.10190	2.2
255.11232	27.8
269.12830	7.6
279.09668	2.6
297.12292	8.6
315.13342	25.4
413.26224	2.1
444.17627	100.0
444.35904	2.1
445.17682	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	1.5
59.32893	1.1
60.07948	0.9
60.08153	10.5
67.05484	1.9
71.07366	6.4
81.07036	1.5
86.09698	46.0
89.05996	3.4
91.71013	2.2
93.07051	2.0
95.08624	1.4
97.42712	1.3
98.98487	4.0
104.10744	4.6
105.07051	1.6
124.99994	20.8
133.08624	2.7
144.95380	1.3
184.07330	100.0
300.84518	1.6
487.87802	1.6
549.79901	1.5
641.12537	1.9
714.50214	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18177	3.5
57.07076	7.2
59.12406	3.9
64.29020	4.1
67.05470	4.7
85.88065	4.0
86.09735	6.7
87.04486	18.2
89.06022	100.0
89.97588	4.4
107.99861	4.5
130.08646	29.5
133.08606	65.8
177.11272	26.2
184.07361	13.3
203.06107	5.1
221.14015	9.1
547.33459	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72487	3.7
57.07061	13.5
65.11448	4.1
71.08615	6.8
87.04455	18.9
89.05525	8.9
89.06025	100.0
95.07118	5.8
120.65597	4.7
130.08644	31.9
130.82498	4.4
133.08600	75.2
162.83441	4.7
177.11227	24.2
184.07364	13.2
202.05870	5.6
212.91286	4.6
216.64929	5.5
237.08485	4.8
256.21851	5.7
374.99426	5.6
547.33484	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.6
57.07064	3.4
58.63491	2.1
61.02907	9.4
67.05505	6.4
69.03409	6.3
69.07047	6.9
73.02890	4.3
79.05479	5.7
81.03391	5.6
81.07069	6.6
83.04984	2.3
83.08601	3.3
85.02898	7.3
86.71522	2.4
91.05491	9.8
95.08575	4.3
97.02869	6.1
97.10155	3.1
101.02359	3.0
104.11794	2.6
105.07052	9.0
109.10118	2.7
119.08580	5.7
129.07039	3.0
130.78555	2.5
131.08546	3.2
131.13495	2.3
133.10098	6.3
166.68376	2.8
176.14667	2.8
184.07417	4.1
228.81915	3.0
230.65067	2.6
341.14304	2.7
451.19302	7.6
604.39722	3.0
733.44965	100.0
734.45227	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.5
57.03433	3.2
61.02928	8.8
62.64932	1.9
67.05510	7.0
67.41034	1.7
69.03423	7.0
69.07062	6.7
73.02908	4.4
74.21516	1.9
79.05497	3.5
81.03427	3.4
81.07066	6.6
83.08601	4.9
85.02901	11.4
86.09711	2.6
86.15970	2.3
91.03959	10.0
91.05479	7.6
91.58376	1.8
91.70997	4.5
93.07038	3.7
95.08617	7.4
97.02882	10.5
97.10175	3.2
101.02402	4.3
105.07043	5.0
109.10202	2.8
119.08586	3.6
121.10203	3.0
135.11688	2.6
180.15761	2.8
184.07396	4.5
201.19321	2.2
203.75491	2.1
261.64771	2.5
374.02835	2.3
523.32611	9.3
599.95471	2.7
733.44849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50829	12.9
55.05494	20.3
57.03407	14.2
58.83846	15.2
59.44749	17.4
65.18325	17.5
67.05486	78.1
69.07038	19.3
79.05486	38.8
81.07028	35.2
86.09705	16.1
91.05460	100.0
93.07037	50.4
95.04948	18.6
95.08603	51.2
105.07024	83.6
107.08595	27.6
117.06964	24.5
119.08575	33.8
123.03687	19.5
129.05533	20.2
131.08528	27.5
133.10101	44.9
145.10110	32.3
147.11638	31.0
147.44670	18.0
157.10074	25.7
175.11168	40.2
184.07245	35.6
438.12723	23.4
701.96533	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64627	21.7
70.55831	24.9
131.14267	29.7
224.05589	30.2
660.26721	100.0
685.92438	36.5
756.30505	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86974	26.2
72.28947	22.0
80.57526	24.5
105.07031	100.0
113.86412	26.6
133.10138	56.8
150.20763	26.0
161.09668	65.4
175.72702	35.2
179.56885	26.4
203.22525	24.4
290.81821	26.1
326.02866	28.8
530.50885	28.4
532.70825	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48717	26.4
71.07384	39.1
79.62110	32.1
92.91048	38.2
93.07018	49.1
105.07029	74.4
119.08594	41.2
125.58188	34.6
161.09653	100.0
171.27867	34.8
301.47461	43.9
553.26367	38.5
686.11102	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19007	44.8
74.46606	39.5
76.33530	40.7
86.17966	42.7
104.05894	48.8
104.46877	47.4
105.07040	100.0
130.04974	50.1
133.10172	54.8
138.51300	49.5
153.59222	45.3
371.11746	54.5
537.89929	55.2
550.82684	57.8
716.05347	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73457	16.9
74.86720	20.4
85.02876	18.2
91.05453	19.5
91.06561	15.5
91.70990	31.2
93.07049	22.7
105.07018	83.6
121.06476	28.1
133.06465	17.5
133.10127	41.5
136.36479	17.9
159.08076	25.2
161.09616	100.0
172.48343	19.3
237.05077	20.8
252.94691	18.9
332.39645	21.8
341.21133	90.7
431.25098	20.6
431.83585	20.4
554.41003	21.5
588.05511	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73735	3.5
56.17241	3.9
61.56358	3.3
67.13994	4.1
69.03413	15.6
69.50282	5.1
79.05489	5.5
81.03401	9.5
81.07068	5.2
83.36794	5.0
85.02886	13.1
87.00833	5.6
91.05482	8.7
91.71613	9.5
93.07055	12.5
94.27894	4.3
95.04939	11.2
97.02847	7.0
105.07034	55.6
105.07702	8.9
109.02885	13.0
112.59603	5.5
119.08646	5.4
121.06493	18.2
127.03944	8.0
133.10112	31.7
143.21144	4.8
146.07307	8.0
151.07491	6.7
157.10120	6.1
159.08015	9.8
161.09605	100.0
216.36459	5.2
229.07645	5.1
235.10587	4.9
269.79559	5.8
323.19910	10.0
341.21234	6.8
475.77750	6.6
589.26471	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40159	1.3
65.07405	1.7
66.21633	1.7
69.03439	2.0
72.00143	1.6
80.05032	1.9
84.04497	58.7
85.02922	1.8
86.06080	3.9
86.09698	100.0
96.04521	6.7
97.02898	2.7
98.06067	5.5
102.05580	5.3
106.93133	2.0
109.02897	2.6
116.07143	5.6
126.05463	9.5
130.04987	11.3
132.10201	47.4
132.11137	2.8
136.15807	1.7
138.05490	52.9
142.05034	4.6
144.06569	9.9
148.06049	20.2
152.65208	2.2
163.56474	2.1
168.06514	11.3
186.07657	6.2
198.11223	11.0
201.40796	2.3
235.26277	1.9
243.80777	2.0
244.11783	9.0
261.14447	62.5
273.03107	2.1
291.11755	9.0
301.14014	6.4
329.13382	25.0
329.66696	2.0
476.18677	4.5
679.23145	2.6
715.63293	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60379	20.9
69.03426	29.9
77.87099	24.5
81.07047	44.0
84.04495	94.9
84.66998	23.0
85.02863	33.7
96.45308	25.8
101.07149	40.2
101.44427	25.0
115.84908	28.0
119.08614	28.2
123.08104	35.9
130.05009	100.0
132.29561	26.2
145.10065	29.5
147.07690	89.1
156.21342	25.9
163.11160	43.1
169.24922	26.6
290.90671	29.3
313.29599	29.6
471.28635	97.2
737.34766	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	12.1
56.60791	12.3
67.05477	13.4
69.28729	13.8
70.06557	18.4
91.05519	16.5
94.38580	13.7
107.04937	50.6
145.06512	16.7
161.09613	19.6
189.09100	18.3
193.13396	15.6
230.45387	15.1
230.47672	19.3
244.06277	17.7
289.98749	16.4
346.13162	59.5
406.80499	16.0
412.05341	16.5
418.17538	25.8
427.37796	19.8
518.87445	20.1
564.08624	18.7
688.34088	18.2
720.27313	100.0
720.38538	17.3
738.28473	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36629	7.9
85.02895	11.3
104.08106	8.0
120.08114	9.5
120.16507	9.6
140.50606	9.9
146.09651	16.3
174.09160	12.0
176.14882	11.7
220.09666	14.8
251.10585	10.2
280.10938	12.3
284.10291	39.3
286.11832	16.8
310.11862	12.2
312.10168	15.5
312.13467	38.1
330.10806	29.6
338.11346	18.0
364.10010	14.1
375.78259	12.2
402.12894	20.1
406.17682	19.7
431.11160	25.9
480.17575	33.1
501.18002	36.6
564.91296	12.5
571.18243	16.9
572.19409	37.8
720.26605	27.6
738.27948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62785	13.0
68.51796	12.2
75.92116	13.6
79.57267	11.8
89.21159	13.0
99.78230	12.8
118.71134	13.7
120.08115	26.1
122.09698	21.6
123.09161	24.2
125.91986	16.1
136.07523	14.7
138.09149	58.8
149.10773	21.3
150.09145	14.6
151.08730	18.6
164.07085	33.7
177.10278	27.1
191.11823	23.9
193.13443	19.6
201.52998	14.1
226.80135	14.0
255.07878	17.9
466.03943	19.1
487.76614	16.1
576.43665	18.7
738.27838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37749	3.5
64.14520	3.7
65.27442	3.9
86.00659	6.2
91.05470	10.2
93.07031	5.5
94.06584	5.6
95.07300	6.7
96.08134	9.3
108.08129	13.6
108.24226	5.4
110.09688	11.8
120.08096	23.4
122.06056	5.8
122.09678	32.9
123.09207	19.5
131.76527	5.0
132.01158	5.3
133.50713	4.3
134.09612	5.1
135.09258	8.7
136.07552	13.1
137.10786	5.3
138.09120	64.0
140.10693	10.8
147.09166	9.0
149.10759	13.8
150.09155	12.8
151.08601	11.3
161.10774	6.4
164.07104	21.4
165.10281	20.4
167.11801	10.8
173.10791	6.1
177.10199	29.8
178.11043	7.0
191.11821	23.4
192.12680	6.1
193.13309	24.8
204.06726	7.1
204.10213	5.9
217.09825	6.0
220.09662	5.8
225.10628	8.5
227.08527	18.7
229.06221	6.5
237.12405	18.7
245.09299	6.3
245.12917	6.4
255.08015	17.3
261.08685	13.6
263.10202	10.9
269.09390	5.1
271.11041	29.0
305.11438	13.0
738.27777	100.0
739.28308	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41282	9.2
54.11900	9.0
54.77692	8.7
54.78426	9.5
61.12252	10.6
73.86400	9.3
97.77734	9.5
108.08096	12.5
122.09676	38.5
128.10745	10.4
138.09166	24.1
140.10757	18.3
167.11810	25.3
184.07935	15.2
193.13319	100.0
196.09203	11.5
198.07860	11.5
204.10461	11.4
227.12119	24.7
250.31172	14.2
257.09183	73.3
261.08746	30.3
271.11163	66.2
280.87729	11.4
285.08588	83.1
287.10425	19.4
313.08197	72.5
331.09323	85.7
382.52249	13.3
738.28107	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89668	4.3
68.24324	5.7
69.43866	6.2
74.83189	4.6
86.00653	7.6
93.07031	7.9
94.06552	7.9
96.08125	8.9
108.08105	12.3
110.09681	9.6
120.08112	21.3
122.09679	29.3
123.09224	16.0
132.01141	6.9
135.09157	7.0
136.07556	6.1
138.09120	43.0
140.10715	8.0
147.09178	9.5
149.10736	6.9
150.09174	10.9
151.08711	15.6
160.09879	6.3
161.10696	7.3
162.29434	5.2
164.07121	14.6
165.10266	16.5
167.11961	11.8
173.10678	7.0
177.10257	19.8
178.10904	7.9
191.11826	19.6
193.13411	23.5
203.08095	7.5
204.06654	9.5
213.30501	6.7
217.09641	6.9
225.10564	8.2
227.08507	8.2
227.59134	7.5
229.05957	6.6
237.12431	14.9
244.10683	5.7
245.12680	10.2
255.08026	16.0
261.08710	12.0
263.10251	9.1
266.42923	5.9
271.11060	25.9
344.86081	6.9
615.02667	6.4
738.28033	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88554	5.5
65.44881	6.1
90.16559	7.5
91.71571	9.8
97.02865	8.1
105.61246	7.0
122.05988	12.0
146.09692	15.1
220.09767	21.6
252.11325	10.4
261.08792	11.6
264.86594	7.9
268.14569	7.3
280.10815	9.5
284.10342	29.9
286.11832	24.3
294.12491	9.2
297.11273	10.2
298.11725	10.5
312.09695	24.3
312.13419	29.0
326.11371	22.6
330.10654	12.2
338.11304	13.1
344.10907	9.3
358.08234	9.9
363.44498	8.7
385.12860	11.3
386.11374	11.9
406.17670	18.7
408.68008	9.9
416.09235	17.2
431.11465	15.3
480.17719	30.1
501.18143	41.4
571.18677	30.3
572.19434	38.0
720.26630	33.6
738.28094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	34.5
81.03423	42.0
84.04507	100.0
84.21281	23.5
85.02928	29.3
93.07035	33.5
95.08656	26.7
97.02928	23.8
99.04457	23.4
102.05527	33.7
105.37823	19.6
107.08624	28.5
109.02924	33.2
119.08591	30.9
121.10192	39.4
130.05000	32.6
145.10155	31.8
148.06079	55.1
163.11151	55.1
171.11736	35.3
173.13187	26.5
188.94617	23.2
196.32713	22.3
247.86284	27.2
248.08049	23.5
310.16623	43.3
359.42386	25.3
394.35510	27.1
472.26990	73.8
620.63611	28.2
738.33124	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74135	2.2
60.08146	8.5
67.05481	3.4
69.07097	2.1
76.84278	2.3
79.05471	2.3
86.09689	35.6
95.08606	4.4
98.98460	3.1
125.00007	18.9
184.07327	100.0
285.54343	2.7
336.00708	3.4
444.28064	3.4
452.99731	3.2
540.99213	2.6
688.45825	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30252	46.2
115.44904	48.7
125.89998	54.8
146.06067	63.0
148.12695	54.8
150.09085	100.0
151.45683	54.7
212.39882	57.3
218.81685	54.5
295.13016	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54993	6.6
81.07047	14.9
86.09704	38.6
95.08615	11.1
124.99976	24.7
145.68340	9.4
145.87386	10.6
147.00125	9.7
184.07343	100.0
265.54041	12.6
540.73724	11.1
569.73010	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60762	6.8
67.06004	6.9
70.72913	8.6
76.69186	9.0
76.69712	7.4
80.36700	7.9
97.64242	8.2
112.31598	8.7
134.59633	9.6
184.07362	12.6
211.04266	9.0
257.06622	11.4
277.67297	9.7
376.37814	10.0
421.84961	9.4
589.43658	11.1
599.55676	11.2
745.26715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	8.2
69.79391	6.7
75.24200	7.2
86.09706	9.1
91.71024	16.1
124.13297	7.1
129.17783	7.5
131.29172	8.1
184.07344	23.1
257.82410	8.1
385.55893	10.8
624.55347	10.4
745.38910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80121	9.5
65.12859	9.3
66.08556	9.8
67.05475	10.8
67.74186	10.5
79.19361	9.5
82.90893	10.5
101.72173	9.8
132.40503	12.6
170.73944	13.0
184.07375	34.0
211.06866	11.5
219.97353	10.6
239.56570	12.5
515.13287	14.1
580.81494	12.2
745.38629	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99126	20.5
55.70165	19.4
63.34253	20.2
67.05487	32.8
68.39238	20.0
77.43974	20.5
85.33424	22.8
85.42500	18.8
85.65324	20.6
86.09637	24.6
88.39172	21.5
93.07076	35.4
97.10117	22.7
109.10171	25.8
117.92506	23.3
184.07343	34.6
195.57336	28.8
197.86546	26.4
206.85715	26.3
256.15598	26.2
281.29276	22.7
571.56567	27.2
694.64825	37.3
745.41650	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16262	15.8
55.05506	30.9
56.40350	15.5
57.07057	22.8
67.05495	53.5
69.07037	48.6
81.03399	17.7
81.07043	52.0
83.08624	18.7
89.62856	17.0
91.05501	29.4
91.70968	39.7
95.08602	42.2
105.07001	23.1
107.08544	33.8
109.10141	35.8
117.07064	31.0
119.08607	29.9
143.08630	22.2
183.08751	18.7
184.07315	31.9
284.29712	23.3
340.27011	25.3
372.92786	25.8
583.43445	100.0
599.04065	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	10.0
64.46014	2.2
65.17950	2.1
67.67002	2.1
71.07364	5.1
72.21998	2.7
76.31017	2.4
76.77177	2.4
77.04704	2.3
86.09695	45.6
91.71581	3.2
94.11303	2.5
98.98463	4.1
104.10728	2.7
124.99989	21.4
184.07329	100.0
187.53503	2.8
375.87561	2.9
507.68161	3.5
553.05090	3.0
681.53424	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	2.1
59.15331	1.5
60.07915	1.2
60.08155	11.1
67.05474	2.2
71.07354	4.0
77.79391	1.4
86.09696	44.8
91.71684	2.3
95.58365	1.4
98.98499	2.4
100.31322	1.9
104.10746	5.4
117.94215	1.6
125.00002	23.6
138.24174	1.8
158.29797	1.7
184.07321	100.0
333.65149	2.6
475.81131	2.2
744.82428	2.6
746.48932	5.0
747.47974	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.7
57.03426	7.6
57.07072	7.9
60.12324	5.0
61.02901	22.8
67.05492	34.6
69.07048	14.5
70.53421	5.0
71.04949	6.7
72.88569	5.2
73.02938	7.6
74.20776	5.2
79.05469	14.7
81.03413	6.2
81.07043	34.8
81.71558	6.0
83.08599	9.7
85.02878	17.5
87.04485	7.0
89.06028	36.1
91.03954	6.4
91.05457	18.2
91.71722	14.0
93.07041	17.1
95.08593	22.4
97.02881	19.2
103.06229	5.2
105.07021	10.9
107.08592	9.4
109.06560	5.9
109.10160	8.3
112.73313	5.8
115.25842	5.9
117.07011	9.1
119.08571	14.3
119.25825	6.4
130.08694	11.2
131.08566	15.2
133.08624	22.1
143.08575	7.4
145.10081	13.7
153.47270	5.7
175.14787	9.7
185.13332	7.6
185.88374	7.6
197.13217	8.9
199.14886	6.4
401.09042	6.4
506.12964	7.3
585.45197	100.0
586.45801	7.2
747.49463	13.5
756.28961	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29623	9.4
63.62392	9.6
84.04487	53.8
85.81003	11.8
91.71046	12.3
102.05573	24.7
108.08098	14.8
131.64735	13.7
134.05956	16.1
136.07562	63.3
178.05005	32.1
244.50925	13.3
281.12784	31.6
299.13882	39.5
311.10229	31.6
329.11218	100.0
345.86523	13.4
432.17661	37.3
440.14285	17.7
442.16153	23.3
458.15433	46.5
654.13245	14.7
682.05060	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55412	38.9
55.42593	37.9
70.06554	40.4
70.37999	38.1
72.73845	36.8
76.58402	37.2
77.62829	36.6
78.11897	39.9
84.04482	66.6
91.71644	97.8
102.05582	77.5
108.29192	41.9
124.47797	61.4
136.07581	77.6
146.04924	45.5
164.07130	72.0
267.11273	100.0
285.12152	95.2
305.90445	51.5
329.11292	72.8
404.64200	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.5
55.05526	11.5
57.03444	12.2
67.05488	48.3
69.07067	9.9
69.83401	7.1
70.22430	7.2
71.37809	7.2
71.44477	5.9
75.95511	7.7
77.75885	7.0
79.05503	36.8
81.07057	43.9
83.04911	9.8
85.06551	8.3
91.05476	100.0
93.07034	47.1
95.04987	18.9
95.08611	23.2
98.16808	7.7
99.08968	8.7
105.07021	68.1
107.08643	13.1
109.10130	8.9
117.07054	19.4
119.08616	31.7
121.10189	10.2
129.05513	11.2
129.07042	33.3
131.08542	45.7
133.10190	31.0
143.08717	9.9
145.10178	20.0
147.11700	22.9
155.08630	19.0
157.10120	19.6
167.50952	11.1
169.10136	10.6
171.11684	9.6
173.13173	11.3
175.11156	50.2
184.07458	23.5
209.13293	9.2
336.66296	9.1
344.80835	10.5
359.25882	18.1
401.97119	10.1
428.82852	9.3
521.00500	10.1
592.63965	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.8
55.05490	17.6
56.46914	7.6
57.03418	18.4
67.05492	40.1
79.05476	31.5
81.07045	47.2
85.02918	10.4
86.09690	10.5
91.05476	100.0
93.07052	43.1
95.04967	21.5
95.08609	19.1
105.07030	55.5
107.08584	20.6
115.05390	10.9
117.07082	21.3
119.08578	33.0
121.10147	14.6
129.06999	33.2
131.08557	44.1
133.10135	42.0
145.10115	12.8
147.11757	14.2
157.10159	26.8
159.11696	22.8
175.11201	44.4
177.12714	10.8
184.07373	25.6
191.76169	12.9
247.80226	10.8
249.25580	9.4
333.35483	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39901	6.6
55.05505	12.0
57.07053	21.4
60.08173	9.6
67.05498	22.4
69.07037	12.0
71.08603	12.0
75.91832	7.0
79.05486	13.3
81.07042	38.2
82.88933	9.4
86.09696	36.5
90.61138	7.4
91.71156	16.9
95.08598	22.9
109.06441	11.3
109.10122	11.7
124.74744	9.0
125.00020	11.0
137.05963	100.0
138.56329	9.1
184.07297	51.8
277.18002	42.1
295.19272	13.7
313.27335	15.0
589.44489	52.0
608.86365	12.3
761.27002	12.2
761.41632	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	8.8
60.12986	1.5
67.05486	1.7
69.07053	1.7
70.84193	1.6
71.07364	4.4
74.70012	1.8
79.05482	2.1
81.07036	1.9
86.09695	46.5
98.98462	3.1
99.83590	1.7
124.99995	24.4
184.07336	100.0
202.62160	2.4
208.65216	1.9
387.82861	2.4
445.75739	2.1
500.73502	2.4
748.46552	2.5
769.31189	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99783	1.4
60.08149	9.1
63.89003	1.6
67.41064	1.9
71.07363	6.0
75.20692	1.5
81.07052	2.5
86.09702	35.1
98.00639	1.8
98.98448	2.9
104.10747	5.3
124.99998	20.3
151.21149	1.8
165.02501	2.1
184.07341	100.0
234.69943	1.9
258.13556	1.9
396.25708	2.0
551.32935	2.1
685.22797	2.4
748.47107	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23386	24.4
54.91521	22.2
56.03835	21.9
56.13955	22.2
56.62362	24.0
56.96556	39.0
58.15426	22.1
64.86871	24.5
71.88865	26.8
93.29682	25.9
98.97597	81.9
116.98639	33.6
140.00195	34.8
152.00215	41.4
158.99660	53.0
170.99634	34.8
172.02875	50.5
184.07529	34.7
189.00819	42.4
212.02493	55.2
239.21512	30.2
302.05539	68.1
321.04962	100.0
455.10669	58.5
455.73453	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	8.1
55.01855	20.2
55.05496	14.7
56.98991	5.7
57.03426	11.7
57.07053	7.8
57.10210	6.7
65.03926	8.1
67.05491	60.8
69.07064	18.9
79.05479	37.6
81.07050	57.3
82.78996	7.7
86.09706	35.5
91.05470	100.0
93.07053	57.9
95.04965	17.5
95.08600	23.8
95.09158	7.0
99.26044	7.8
101.48188	7.6
105.07037	78.3
107.08597	18.8
117.07025	24.8
119.08567	55.8
121.10122	12.4
124.99974	11.2
129.05507	16.1
129.07025	31.7
131.08551	40.5
133.10120	49.9
141.06990	9.0
142.07788	13.4
145.10091	10.5
147.11678	28.4
147.66829	8.5
149.13274	12.6
155.08522	9.2
157.10132	32.5
159.11665	13.1
168.58272	7.4
171.11765	13.1
175.11174	66.8
177.12752	10.6
182.73860	8.5
184.07341	65.9
249.14801	12.8
251.16481	16.5
347.65710	9.9
361.27432	18.2
682.46979	12.9
784.83813	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48814	4.7
55.05504	6.1
57.03448	5.8
57.07069	6.3
60.08147	11.1
65.71923	4.8
67.05486	21.4
70.26723	5.6
71.08630	5.7
79.05473	4.8
81.07065	18.7
86.09705	47.3
87.59884	5.9
91.05480	22.5
93.07013	10.1
95.04945	8.8
95.08604	12.9
97.20416	5.7
97.65905	6.7
104.78944	5.5
105.07076	13.0
119.08598	6.4
125.00011	25.5
133.10129	9.2
145.10106	9.6
147.11708	7.4
157.10197	6.2
175.11325	7.9
184.07353	100.0
186.79874	6.1
186.98314	5.9
240.37004	6.2
277.74313	6.6
318.93842	7.0
349.96948	6.6
528.49664	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	14.1
55.05497	11.8
57.03413	10.1
57.46469	5.5
59.96465	4.5
67.05491	62.3
69.07048	11.0
70.76901	4.6
73.02886	6.3
79.05485	39.4
81.07045	53.1
86.09689	11.2
91.05470	100.0
91.71630	11.7
93.07032	43.1
95.04950	15.0
95.08588	27.6
97.06481	6.3
98.98537	5.9
105.07017	67.2
107.08600	15.5
109.06495	7.8
109.10162	6.0
117.07030	13.1
119.08573	41.9
121.10146	17.0
125.00041	7.0
128.06241	9.4
129.05470	18.0
129.07040	23.0
131.08571	42.2
133.10123	41.4
135.11667	8.9
141.07021	10.4
142.07788	9.6
143.08563	8.7
145.10129	16.9
147.11678	16.1
149.13239	8.4
155.08644	10.4
157.10124	16.1
159.11691	12.4
161.13287	7.1
169.10162	9.6
175.11188	57.4
177.12788	8.1
183.96707	7.5
184.07341	32.1
251.16490	11.6
287.81259	6.2
361.27322	8.5
492.98340	7.2
554.08600	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.5872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	15.3
58.06591	74.6
59.07360	20.2
59.12538	8.3
60.08164	13.8
64.98963	8.9
67.51270	9.1
69.50544	10.1
82.15192	8.6
120.73013	9.8
125.91050	9.9
134.70326	9.5
135.31773	9.7
144.10196	17.5
150.61169	9.1
236.14873	100.0
284.85352	11.7
420.75446	14.1
430.87341	11.3
474.37857	19.8
750.58740	73.9
774.48950	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75475	26.9
55.05495	100.0
57.16130	21.0
57.93319	20.6
66.95069	20.8
67.05493	71.4
69.07044	47.6
79.05507	49.0
79.06001	24.3
81.07043	94.4
90.74104	25.3
91.05467	50.7
93.07035	40.8
95.08596	63.7
97.10162	40.9
105.07037	35.9
107.08620	32.7
111.01120	23.9
119.08563	32.9
121.10112	26.4
133.10159	29.7
137.09392	25.0
169.10043	42.4
316.49844	30.1
505.22076	29.8
562.53735	31.0
644.63965	31.8
751.54462	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	20.1
57.45489	15.3
61.72709	12.6
67.05489	66.8
67.85691	17.0
71.77733	17.5
75.73904	14.6
75.97543	15.8
78.59451	15.2
79.05470	47.5
81.07046	66.3
83.08595	16.8
91.05473	100.0
93.07031	41.1
95.08621	25.3
104.59962	14.7
105.07030	72.2
109.10138	18.9
116.54277	15.8
119.08570	37.9
121.10219	19.2
122.26006	17.3
129.07004	33.8
131.08591	46.5
133.10123	35.9
147.11688	18.9
159.11797	20.3
175.11124	38.6
184.07320	18.0
313.78189	16.7
352.66806	18.8
363.28662	41.0
457.18457	18.3
555.40631	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.3
57.07069	97.2
84.02399	9.1
86.09703	16.8
87.04453	37.2
89.06018	100.0
91.05431	14.5
91.25629	8.8
105.07032	11.6
107.07076	9.6
107.52871	11.4
110.43642	9.5
112.89917	10.4
121.06489	32.7
123.30259	10.0
130.08624	38.4
133.08603	79.3
147.08006	13.1
177.11214	25.5
184.07343	37.4
188.61958	12.5
233.18925	14.2
261.77286	11.9
277.21588	26.7
296.44144	13.5
313.87122	11.8
686.53876	13.8
752.50146	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89997	2.3
55.05507	3.8
56.67651	2.0
57.03418	4.8
57.07069	4.6
58.06305	3.3
58.06589	41.0
59.07368	11.0
60.08157	15.5
62.36207	2.3
67.05489	7.0
69.18468	2.3
71.08646	3.0
81.07043	7.2
82.31667	2.5
83.08582	3.1
87.04475	5.2
93.07068	3.0
95.08604	3.9
137.16890	2.6
144.10152	13.0
150.18900	3.1
167.42157	2.7
209.57883	2.8
236.14896	100.0
295.52603	3.3
317.24841	3.1
335.67480	3.1
456.36731	5.0
474.38101	13.0
538.33997	3.6
734.59210	70.2
735.59650	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	40.1
56.96803	7.9
71.04122	8.3
77.45393	7.5
77.91501	7.7
80.42236	8.1
97.99224	8.9
98.97589	59.3
110.97556	9.8
112.99113	14.0
116.98643	21.2
131.00220	23.2
134.99637	14.4
135.47487	8.2
140.00238	42.5
149.01273	20.3
152.00188	14.6
154.01741	20.3
158.01225	20.4
158.99716	16.2
161.01135	9.5
167.99724	11.2
170.01283	15.4
170.99721	32.0
172.02776	48.1
177.00722	12.9
181.02899	13.2
184.07382	13.3
189.00735	17.1
193.02988	10.3
195.04485	10.5
200.02382	39.2
207.04498	14.6
212.02251	50.3
212.57468	9.8
223.03798	11.0
242.03412	13.0
261.02881	20.7
293.05728	15.7
301.33548	11.3
302.05618	34.8
316.07303	20.9
321.04892	100.0
331.21732	12.7
334.08313	32.2
338.33975	10.5
362.07678	33.1
377.24646	11.4
437.10120	18.9
455.10834	25.8
531.28845	18.0
600.72955	11.9
693.33728	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	10.4
67.05499	15.7
69.03436	13.2
70.06599	11.0
73.02911	12.1
74.27374	6.8
74.80527	7.8
81.07060	10.0
82.58873	6.2
85.02946	9.5
91.03980	7.7
91.05514	25.5
93.07052	13.9
95.08611	9.8
97.02908	17.8
105.07078	14.8
117.07041	8.0
161.48666	8.3
188.97580	7.0
236.60103	6.9
451.19519	11.2
519.40900	8.3
543.29950	12.3
753.41473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51725	4.4
61.02893	7.1
67.05483	13.5
73.02916	7.2
75.09322	5.9
79.05490	8.0
81.07046	8.6
84.99728	6.4
85.02895	8.0
91.05473	17.9
93.07059	10.1
97.02888	7.2
101.02380	6.9
101.50092	5.7
105.07037	15.1
106.32954	6.6
115.26215	6.2
119.08593	7.7
131.08606	7.7
133.10107	9.7
150.44060	6.4
299.35699	6.5
332.31006	7.4
446.30203	6.8
451.19312	11.6
459.88428	6.9
480.23856	8.6
631.31360	6.9
753.41412	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13099	7.8
55.05508	10.6
55.24548	8.6
56.36099	8.1
66.86498	9.1
67.05496	25.1
68.72723	9.8
81.07044	23.1
85.02888	13.8
91.05460	22.7
93.07031	31.0
95.08615	19.0
116.60013	10.3
137.99257	10.3
240.93642	12.2
241.77855	13.1
296.78845	13.2
753.41168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	11.0
60.28434	0.8
67.05493	1.3
71.07381	5.2
76.90929	1.0
86.09695	45.9
95.08718	1.3
98.98442	2.5
104.10782	3.4
124.99986	23.4
125.00787	1.2
184.07327	100.0
200.93419	1.2
589.71436	1.5
590.47827	1.5
599.17755	1.3
650.43793	4.8
700.44696	2.1
718.46088	2.4
729.60590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67859	1.9
60.08149	6.9
64.73908	2.2
67.05490	3.2
69.02906	2.1
71.07352	3.7
74.99255	2.2
83.22803	2.3
86.09698	44.5
90.73073	2.4
104.10746	4.7
107.08567	2.0
109.07847	2.2
114.45232	2.3
125.00008	26.3
153.61014	2.3
177.63733	2.6
184.07329	100.0
184.08936	5.3
191.56451	2.3
329.84250	2.5
378.91452	2.5
641.19080	2.8
641.28778	2.8
641.56104	2.9
650.43524	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	6.8
57.07072	5.7
59.19383	6.5
61.02931	7.3
65.32393	6.3
67.05492	19.3
69.03414	13.1
70.36249	6.3
70.70696	6.1
73.02902	10.0
79.05492	12.7
81.07048	10.3
85.02896	10.3
91.05468	18.8
91.71654	17.7
95.08597	11.6
96.78725	7.1
97.02887	15.2
103.06911	6.7
105.07032	13.7
119.08591	11.6
133.10150	12.1
141.00739	8.7
184.07358	11.2
289.81744	10.0
304.33691	8.7
343.66843	8.9
436.32971	8.8
451.19235	9.5
545.30536	11.9
628.88177	11.3
755.43134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26622	2.9
56.79568	2.6
57.03403	6.4
61.02925	9.2
67.05487	11.9
69.03416	8.4
69.07077	4.9
69.46227	3.3
71.54116	2.8
73.02924	4.9
79.05462	9.6
81.03432	4.0
81.07055	12.2
85.02902	13.7
86.09667	3.6
87.35376	3.2
91.03936	7.1
91.05490	23.3
93.07045	10.1
95.04951	6.0
97.02867	8.5
100.98155	3.6
105.07024	14.0
117.06212	3.6
119.08580	8.0
129.07011	3.5
131.08566	6.4
133.10152	5.3
147.11716	5.9
160.24280	3.2
184.07391	4.9
256.86554	4.5
293.07913	4.5
315.08124	4.4
415.66415	4.6
451.19348	14.2
545.30273	4.4
701.88220	4.6
702.73004	5.1
755.43390	100.0
756.24219	3.9
756.43445	8.4
762.07556	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90091	5.1
63.88175	5.4
84.04500	13.1
89.63116	5.7
93.86697	5.8
108.04480	9.3
130.05026	11.8
137.43599	5.9
146.06094	8.2
148.07635	12.4
148.38425	6.7
243.11226	8.3
255.11436	22.3
278.10187	12.0
296.11273	20.2
297.12137	9.0
315.13342	23.9
384.22217	7.2
444.17651	100.0
445.17639	8.9
578.18018	7.5
594.22479	9.2
609.64880	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.8
55.50939	2.4
56.06641	2.3
60.33101	2.8
75.90938	2.5
84.04497	10.0
85.02869	2.9
88.66257	2.7
94.06595	2.8
102.05547	5.0
108.04487	6.5
128.16643	3.0
130.04994	4.7
146.05974	3.6
148.07574	5.9
150.05484	4.8
160.68092	2.8
176.36945	2.9
225.10043	2.8
227.11774	5.3
241.13454	4.3
242.08092	4.8
243.11237	4.4
255.11270	18.9
269.13037	8.6
278.10236	5.1
296.11182	4.3
297.12268	11.4
315.13449	18.1
318.33997	4.1
369.14261	4.3
444.17639	100.0
445.18085	6.2
585.99860	3.6
594.22931	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
78.72048	2.7
79.05494	3.1
80.05022	3.2
91.05464	2.9
93.07044	8.6
94.06566	8.7
95.07339	8.1
96.08123	17.3
97.06564	3.4
101.86103	2.4
107.07319	2.8
108.08112	12.1
110.09673	27.7
115.29019	2.8
117.95209	2.8
118.52770	2.4
119.19977	2.7
120.08092	20.3
121.08919	5.5
122.06052	5.3
122.09654	6.3
124.07667	3.6
136.07570	3.6
138.09143	100.0
139.09410	3.8
140.10715	5.2
150.09207	4.9
164.07065	20.3
166.08582	6.4
174.09154	8.2
177.06590	4.0
181.09782	4.5
181.18001	2.6
203.08119	4.2
206.67342	2.8
217.09692	7.5
220.09727	7.6
229.67844	2.8
230.07980	3.6
235.02330	3.1
245.09082	3.7
257.29819	2.6
261.08673	43.3
263.10324	10.6
266.60364	3.5
279.71042	2.9
287.10217	12.6
299.21848	3.0
305.11279	8.4
307.12854	9.9
333.10596	5.0
345.98547	3.2
398.17090	3.8
429.67126	3.4
438.42459	3.3
450.92792	3.7
452.17960	6.1
454.19312	4.4
472.20947	6.7
480.17838	6.9
519.18817	5.1
589.26337	4.2
607.27350	4.9
617.25714	8.5
635.27039	11.7
756.28381	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80851	3.2
55.79379	3.1
79.12266	4.0
92.70481	4.4
94.93000	7.2
136.94020	7.3
186.49380	5.8
222.68257	4.9
252.97400	11.3
260.71130	4.2
264.98810	4.2
415.00327	100.0
690.39844	6.0
749.25531	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03578	3.1
57.03431	3.3
61.02907	8.3
61.14786	3.0
67.05489	14.2
69.03409	7.9
73.02915	5.5
79.05464	8.4
81.03391	3.9
81.07037	13.7
84.53915	3.3
85.02882	13.5
86.09669	5.5
91.05463	8.2
91.71587	4.0
93.07020	4.5
95.08603	8.3
97.02882	8.4
105.07028	6.2
107.08537	5.1
119.40992	4.1
119.95143	3.7
125.00028	4.0
126.69548	4.0
145.79494	3.8
183.31984	4.4
184.07314	16.6
240.51799	4.2
266.15787	4.7
342.42603	4.3
451.19238	5.2
547.32526	7.0
616.99432	4.6
757.44934	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.9
57.03419	7.6
59.00425	4.3
61.02911	10.5
67.05487	17.7
69.03422	8.1
69.63516	5.4
73.02912	7.7
81.03342	6.9
81.07053	16.4
85.02881	11.5
86.09705	8.9
91.03950	6.8
91.05481	11.3
91.71022	10.0
93.07021	8.8
95.08575	10.4
97.02880	12.8
105.06998	10.4
119.08548	10.0
130.04839	5.9
133.10149	6.9
168.37042	6.7
184.07310	30.2
250.19086	6.7
468.57855	7.8
613.10406	7.2
757.44733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01795	4.9
55.30363	4.7
57.03429	5.3
57.07073	5.0
61.02908	12.9
61.16783	4.8
67.05494	16.5
69.03386	7.6
71.97857	5.4
73.02885	7.1
76.43541	5.2
79.05489	6.2
81.07029	13.8
85.02879	12.4
86.09701	9.6
91.03916	8.5
91.05453	7.5
91.71062	9.0
93.07042	9.9
95.08595	12.1
97.02871	11.4
101.58362	5.6
105.07074	7.8
108.96437	5.8
119.08566	7.6
124.99969	8.3
145.27831	6.8
177.18022	6.2
178.36713	6.5
184.07321	22.5
417.68195	7.4
453.20981	10.3
662.32306	7.9
757.44513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
67.17691	36.5
68.90369	34.0
99.73744	41.4
100.62609	42.9
139.00191	41.8
146.06085	50.1
166.08609	65.5
166.33112	45.0
194.77295	40.9
229.02992	53.8
239.11627	43.9
288.32257	45.7
295.12918	89.3
490.46249	45.4
500.81088	48.9
540.97681	49.0
593.25916	100.0
664.88354	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41608	2.5
87.14227	2.8
91.71655	3.6
108.08136	9.3
116.39731	3.3
120.08143	6.6
122.09682	6.1
132.08131	8.2
136.07675	6.2
149.14667	2.9
149.40543	3.4
156.21634	3.1
156.98564	3.1
162.09332	3.2
164.07112	9.9
210.11577	5.4
211.12460	13.0
223.12335	7.6
224.13214	12.4
225.13829	40.1
225.15700	4.0
233.09465	3.6
237.13945	8.0
239.15544	4.3
250.77341	3.6
251.15523	4.4
251.85590	3.5
253.13431	5.4
261.13922	8.6
262.14960	4.9
263.15518	7.8
264.12686	9.0
265.13397	24.5
279.14975	11.1
283.14404	21.0
307.14359	17.3
308.17944	6.6
325.15546	4.5
343.16205	3.9
370.17407	24.7
371.18674	5.1
372.96017	3.7
412.18893	10.8
430.19751	18.0
462.37555	3.2
499.21866	4.4
517.22955	100.0
518.23083	6.2
638.28302	7.7
639.29071	5.2
761.35315	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	43.8
57.07087	57.5
57.25539	26.6
59.44349	21.0
67.05508	83.8
71.08655	34.5
74.74364	22.4
79.05519	33.8
81.07063	90.6
83.08649	52.9
85.28387	28.4
86.09710	37.7
91.05472	27.2
93.07035	42.9
95.08615	52.5
101.08725	22.1
109.10191	47.7
121.10197	28.6
128.05013	29.1
133.10143	25.4
155.96141	30.8
163.11319	32.5
184.07414	87.1
191.47981	28.7
218.64296	25.7
291.19672	55.3
500.02618	31.6
603.46130	32.6
605.21539	29.1
621.47162	100.0
718.17487	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	21.7
61.97086	9.6
67.05510	15.6
70.25343	10.3
77.75747	11.8
78.54661	11.6
81.07047	34.9
91.05514	16.0
95.08615	13.4
106.37936	11.2
111.04438	16.5
125.60565	11.4
133.09964	12.7
137.05988	100.0
157.69017	12.1
196.47076	12.1
216.61754	12.1
221.87541	14.4
227.67764	14.1
243.97301	13.3
266.21539	12.6
277.17975	25.7
295.19070	18.4
371.75946	14.0
421.19998	11.8
589.44562	47.6
621.47015	34.4
659.95673	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17963	15.1
60.84912	13.8
61.57657	16.0
65.91799	17.6
66.13051	17.0
70.06588	31.7
82.53893	18.7
89.03062	18.9
91.18122	20.0
107.47320	19.4
108.08132	34.4
120.08114	36.9
122.06089	20.5
122.09660	52.8
135.09206	37.7
138.09094	43.8
142.91309	20.5
150.09102	21.6
152.10591	22.3
165.10272	90.2
177.10318	32.7
191.11842	24.4
193.13461	27.4
193.28415	22.9
224.17114	21.1
235.10942	38.5
237.12250	37.3
241.56718	23.0
263.10345	57.7
276.38834	28.0
279.13297	27.0
295.15329	26.9
383.89389	23.1
470.66235	26.1
763.32678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05018	14.4
70.12133	7.8
70.93137	7.2
74.17966	7.9
78.83868	7.6
84.04491	15.0
92.08961	8.3
94.06579	11.0
96.08126	25.0
108.08115	32.4
110.09668	10.1
119.86425	8.1
120.08101	37.8
122.09636	53.9
128.79828	8.3
135.09195	38.9
136.07573	21.1
138.09146	58.6
150.05513	14.8
150.09186	20.3
152.10741	33.8
157.06090	13.3
161.10849	7.7
165.10226	97.1
167.11806	22.6
173.10762	11.6
177.10217	46.6
191.11842	32.6
193.13370	39.4
204.10277	12.4
205.13377	21.5
217.09781	10.2
232.12138	11.2
235.10852	48.7
237.12294	51.6
249.12350	33.6
249.14680	21.6
252.13565	19.8
261.08737	11.8
261.12378	16.1
263.10205	70.5
279.13168	18.1
280.12851	52.1
295.15277	29.8
378.92178	12.2
594.08173	11.3
626.24762	17.3
746.30743	20.3
763.32831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.5
53.22245	5.9
60.05637	16.8
63.60414	6.7
67.05487	9.5
68.83781	7.2
69.03421	28.1
70.06594	46.2
81.03407	23.5
81.07044	8.9
85.02897	22.2
85.42035	6.8
87.00838	9.3
91.05468	15.5
91.71016	8.4
93.07021	11.9
95.04968	8.3
105.07030	96.2
109.02873	19.3
112.08733	8.4
116.07083	12.9
121.06470	18.8
127.03905	14.1
133.06500	12.1
133.10143	42.8
135.08072	7.6
146.07275	15.7
147.08049	9.4
148.52431	8.2
149.52011	8.0
151.07498	17.9
158.09207	10.0
161.09567	57.2
175.11894	20.9
189.12752	13.9
197.53329	8.5
290.50897	10.1
316.30997	9.0
317.56961	8.9
695.17407	10.4
719.37927	35.9
763.37408	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16088	10.3
79.25912	9.1
85.02894	10.6
85.37939	8.5
96.08119	24.4
108.08122	30.6
110.09694	12.3
120.08103	22.9
122.09666	39.8
134.03278	12.1
135.09218	20.0
138.09155	51.0
150.09125	20.3
165.10231	22.0
166.92392	11.0
177.10263	21.6
191.11823	17.2
193.13329	16.8
213.11368	11.2
229.28346	11.8
235.10757	26.9
237.12401	62.0
251.13863	21.9
253.11880	43.4
275.98621	9.8
279.13239	15.3
281.11383	100.0
296.13684	33.0
297.14426	13.5
301.75986	10.7
350.73395	10.5
627.23077	27.9
700.00824	11.3
764.31049	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14565	10.4
60.95826	10.1
71.25033	11.8
99.02260	13.1
108.08064	24.6
120.08066	18.9
122.09695	38.1
135.09181	27.7
136.07558	22.3
138.09184	25.4
140.63425	17.1
150.05530	19.4
150.09181	18.5
152.10678	19.8
165.10234	30.3
177.10287	17.7
193.13258	22.1
235.10826	25.6
237.12343	52.0
251.13968	16.0
253.11777	46.4
281.11179	92.8
296.13660	30.9
648.90259	17.4
727.82666	19.9
764.31427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	19.3
58.65460	10.7
60.98289	12.5
67.05479	45.9
75.13560	13.1
79.05482	29.5
81.03392	26.3
81.07028	30.9
86.09705	18.5
91.05488	100.0
91.71019	27.4
93.07028	42.0
95.08602	21.7
100.93197	13.4
103.28705	14.3
105.07025	49.4
105.81257	12.3
109.10150	13.8
114.01185	12.4
117.07011	42.8
119.08626	31.0
128.06165	16.0
129.05434	17.9
129.07002	52.8
131.08568	16.6
133.10107	23.9
143.08586	25.1
159.17157	16.1
184.07352	15.7
189.09100	27.3
200.07878	16.5
203.17854	17.9
203.61349	14.7
263.12796	54.6
361.27280	16.4
587.02429	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4699
Annotation	Rolloamide A
Peak:m/z	Relative Intensity
55.05500	21.3
57.03405	6.9
57.07051	40.9
57.07297	7.4
60.80824	7.3
62.12595	6.7
63.19862	6.9
67.05499	52.5
69.07049	53.4
71.08604	38.4
79.05483	26.4
81.07056	56.6
83.04929	10.7
85.10187	13.0
86.09676	12.6
91.05484	17.1
91.71687	20.4
93.07051	34.8
95.05016	9.8
95.08600	32.1
97.06515	9.7
105.07024	14.3
107.08587	34.5
109.10168	21.6
111.04423	15.7
113.05994	20.3
113.96485	8.7
129.93567	8.9
133.10115	10.8
135.11679	49.3
137.05960	18.5
139.03940	14.1
141.05440	17.0
142.35406	9.1
153.12802	9.2
184.07458	26.0
293.17526	38.6
311.18655	36.0
313.27332	34.1
367.21628	11.6
537.11896	10.7
605.44287	37.9
605.77155	12.1
623.45325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74345	7.5
53.87592	9.3
55.05494	35.9
57.03432	11.3
60.46831	7.3
67.05495	100.0
69.07069	19.9
79.05488	55.4
79.35502	7.1
80.29274	8.0
81.07044	91.0
83.08620	11.7
83.19699	9.6
91.05488	36.8
91.71702	8.4
93.07034	86.7
95.08622	55.9
105.07033	31.1
107.08586	42.2
109.10163	28.5
117.07039	10.9
119.08578	10.1
121.10161	34.5
123.11672	10.5
131.08510	10.2
133.10168	24.6
135.11700	18.6
145.10110	22.0
147.11664	9.3
149.13277	8.9
159.11690	11.1
161.13359	9.2
173.13249	10.7
187.14893	13.2
215.17860	13.8
218.87061	8.7
219.53947	10.4
254.93192	9.6
307.22635	56.9
335.25793	60.4
356.58826	9.8
566.55750	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32438	4.9
60.03126	4.3
60.05633	15.8
69.03402	8.0
70.06577	100.0
72.75829	5.1
81.03384	8.4
93.07051	9.8
96.75832	5.8
97.02858	7.0
107.08593	12.1
112.08694	8.0
115.08672	7.3
116.07077	13.4
117.70107	5.9
119.08576	12.7
121.10077	14.6
133.10074	8.7
135.08008	10.3
135.11693	6.1
140.09895	6.7
158.09253	19.4
159.11639	6.8
163.11224	8.5
171.11671	7.5
173.13275	6.1
175.11888	21.0
189.12808	7.4
263.34113	6.4
275.45004	6.3
420.27777	7.4
480.78616	6.9
554.85303	8.1
721.39728	21.0
765.38934	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29734	26.0
55.05505	47.9
67.05485	99.3
77.17480	26.0
79.05480	33.2
81.07053	100.0
91.05495	33.6
93.07042	62.1
95.08605	75.3
107.08567	35.8
109.10140	48.7
110.44846	28.8
119.08583	44.9
150.43559	31.4
179.14357	53.9
242.15137	35.9
245.89996	32.7
309.24210	67.9
585.45227	46.3
633.80743	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42939	2.1
55.36577	2.4
55.49240	2.4
55.80667	2.3
57.07061	2.6
60.08157	8.4
69.93551	2.6
71.08624	5.3
72.67534	2.6
77.82719	2.6
85.05343	3.0
85.10178	3.6
85.24849	2.4
86.09698	38.2
87.04462	4.7
89.06017	9.4
91.70960	3.8
102.75027	2.5
121.06457	3.3
124.99978	18.9
133.08615	7.5
135.08087	3.0
161.09560	3.0
184.07329	100.0
228.20384	3.3
230.79030	3.1
577.33624	3.6
766.51807	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38564	5.4
57.07067	21.2
60.08152	9.7
71.07368	9.0
71.08614	27.8
85.10143	18.7
86.09698	52.1
86.78848	8.3
87.04455	21.7
89.06017	60.0
91.05474	14.4
93.07035	9.4
102.49707	6.7
117.07027	7.5
118.23566	7.2
121.06474	11.7
125.00008	21.0
130.08650	17.5
133.08594	49.8
133.16428	7.1
177.11224	9.6
184.07338	100.0
193.12117	10.0
247.20578	10.8
291.23279	19.6
410.65414	9.6
481.34616	8.7
756.27753	8.8
796.04132	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	26.5
57.03442	15.9
57.07066	10.2
57.52041	3.6
65.03941	4.1
67.05500	97.2
67.05833	5.8
67.62162	4.2
69.07062	38.3
71.04991	5.8
79.05481	35.6
81.07050	100.0
83.08640	15.5
83.89103	4.0
85.06569	5.2
87.56729	3.7
89.48702	4.0
91.05486	26.9
93.07048	52.9
93.07557	4.4
95.05009	7.6
95.08603	72.3
95.09172	7.0
97.06528	4.5
97.10179	8.0
99.08111	5.6
105.07048	23.5
107.08616	23.4
109.10160	31.5
117.07063	4.4
119.08546	22.0
121.10162	31.9
123.11722	10.4
131.08604	10.6
133.10196	17.0
135.11618	22.5
145.10144	9.9
147.11745	12.5
149.13307	7.5
152.11679	5.7
158.46071	4.3
159.11722	11.9
161.13333	10.0
173.13264	6.9
199.42995	4.4
215.18137	15.5
232.88782	5.0
233.19070	8.1
246.72971	4.6
261.22180	6.4
263.23724	4.8
280.12714	5.7
307.22614	34.1
309.24161	24.4
335.25879	17.6
337.27341	41.8
383.13181	4.8
549.30103	6.1
569.45581	19.9
587.46570	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44763	3.3
57.03457	5.4
57.07077	9.9
58.06593	64.9
58.06839	5.3
59.07390	14.6
60.08156	20.2
67.05516	8.2
75.04472	4.7
81.07069	5.6
84.08147	3.8
90.01638	3.4
93.07082	3.7
95.08613	4.5
106.36922	3.6
131.07066	4.1
144.10190	19.5
147.15891	4.1
157.84082	4.6
161.28683	3.6
162.11317	6.2
165.14395	3.8
206.89090	4.1
236.14929	100.0
236.17188	5.9
474.37854	6.2
580.89417	4.2
629.37061	5.3
661.50470	6.1
691.42114	5.5
748.57764	18.0
755.21661	4.2
764.65509	4.4
766.58264	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25058	2.6
55.01856	3.8
55.04829	2.3
55.05492	3.4
55.53688	3.0
57.03409	10.3
57.07063	5.7
58.06311	3.6
58.06591	65.2
59.07365	16.6
60.08158	15.5
60.73008	2.6
64.71294	2.9
67.05499	6.8
72.77177	2.7
75.04453	5.9
81.07066	8.0
84.53704	2.8
86.09657	3.4
95.08614	9.8
135.19884	3.5
144.10159	18.5
162.11279	5.8
236.14896	100.0
277.29865	4.2
300.17993	4.3
456.36560	7.1
474.37756	13.0
628.13141	4.9
748.57281	23.4
766.58313	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	13.8
58.06600	58.2
59.07366	15.7
60.08150	16.6
61.73713	6.1
64.08567	6.2
67.05493	6.2
71.08620	7.1
75.04467	7.7
81.07063	8.1
90.52007	7.2
95.08622	11.4
97.74879	5.9
117.90563	6.4
144.10217	20.7
144.91211	7.0
162.11276	8.1
209.83727	8.0
236.14888	100.0
237.24594	9.2
350.94727	8.1
400.19821	9.0
474.37842	11.9
748.56610	17.5
766.58093	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	5.8
55.29922	6.6
57.03442	10.3
58.06598	65.9
58.83534	6.6
59.07361	14.1
60.08149	19.9
65.65452	6.2
65.75093	6.7
69.07058	6.6
80.52164	5.7
81.07075	7.3
83.30747	6.3
85.02895	9.2
86.09676	11.0
95.47890	6.9
132.10779	6.5
142.07272	7.0
144.10196	19.8
176.40851	7.3
184.07246	13.7
185.95467	7.7
187.46483	8.1
188.15556	7.7
236.14912	100.0
332.88345	9.4
456.36731	11.9
474.37668	19.5
750.58636	31.3
768.59845	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.2
57.07073	8.1
58.06591	59.6
58.06876	3.0
59.07374	15.7
60.08151	16.6
65.99405	2.5
67.05508	7.6
69.03431	2.4
71.08646	4.2
73.20851	2.4
79.05472	2.4
80.62040	2.7
81.07082	9.4
84.08156	2.9
85.02946	3.2
95.08636	7.8
105.07037	4.2
109.10174	3.4
116.98949	2.9
144.10193	23.5
144.11143	2.7
162.11366	5.2
236.14914	100.0
382.86163	2.9
456.37048	9.4
461.06110	3.6
474.38025	16.5
566.92944	3.2
668.50842	23.0
669.50110	3.5
732.57776	5.7
750.58539	26.4
768.59869	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4127
Annotation	Goniodomin A
Peak:m/z	Relative Intensity
57.00452	9.6
57.03424	12.1
65.71576	8.2
67.05487	29.6
69.07085	14.4
72.59964	8.6
73.95502	8.6
74.32209	9.3
79.05482	19.2
81.07044	27.7
90.58923	9.4
91.05477	24.3
93.07037	11.7
95.08619	23.4
96.12455	9.7
97.02859	9.9
98.37027	9.6
119.08471	10.0
121.10128	13.0
129.06964	11.6
131.49028	9.8
201.71915	10.3
266.67786	10.5
270.89719	12.4
278.46121	12.6
769.40717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4128
Annotation	Goniodomin A
Peak:m/z	Relative Intensity
56.15076	19.3
67.05495	38.4
69.07055	31.5
69.21924	20.9
69.84753	17.0
71.18953	17.7
74.35603	17.2
81.07048	56.7
83.08590	20.5
91.05469	20.0
91.77295	19.4
93.07052	19.3
94.21458	20.9
95.08622	27.5
99.08110	23.9
105.07037	38.1
107.08586	21.8
118.27967	24.1
147.07278	21.0
174.52367	36.2
179.10059	23.0
179.83046	25.1
184.07364	46.1
303.90082	28.0
321.48224	25.8
380.73962	22.7
512.35315	23.6
554.54718	30.3
769.40863	100.0
785.99036	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	5.7
57.03428	4.8
58.06580	8.2
59.55153	3.1
60.08144	4.4
61.02916	8.0
67.05507	18.7
69.03404	7.6
69.07019	4.3
72.50036	3.3
73.02898	7.6
79.05485	6.8
81.03452	3.7
81.07040	14.8
83.08596	4.3
85.02881	11.1
91.05475	7.5
93.07040	14.5
95.08609	9.7
97.02889	9.8
101.02376	4.6
105.07045	7.9
107.08592	5.0
109.10157	5.4
114.61044	4.1
119.08573	4.8
121.10199	5.9
125.00003	3.7
144.10231	6.3
152.66124	3.9
162.11581	4.0
184.07295	11.3
226.41710	4.4
236.14958	13.5
491.25989	13.1
710.45807	4.7
712.40485	5.1
769.48346	100.0
770.48450	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.0
56.16772	1.3
58.99570	1.9
59.57723	1.2
69.03417	2.0
74.20428	1.4
76.02213	3.4
78.23193	1.5
79.05492	3.4
80.64103	1.4
81.03386	1.8
81.07081	1.7
83.04971	7.3
84.04500	17.5
85.02905	5.4
88.67514	1.5
102.04229	1.4
102.05541	3.3
105.20197	1.6
107.08575	2.5
110.97669	1.5
117.85172	1.6
122.02722	23.2
122.06017	3.6
125.09625	100.0
130.05025	6.4
142.03239	3.2
143.10670	5.3
168.06616	3.1
188.03786	2.3
251.07005	3.2
264.12640	3.2
393.16760	13.6
522.20923	16.5
636.65686	2.2
641.22412	2.3
658.11816	2.1
770.25543	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06557	6.7
79.34376	5.5
80.05037	9.6
95.72372	5.4
96.08113	11.3
101.06403	5.8
110.09673	10.9
119.18393	5.8
120.08134	14.7
122.09648	67.6
123.09222	11.8
128.57297	7.3
135.09163	15.4
136.03961	13.3
138.09117	22.0
140.10684	36.7
147.09142	8.6
148.11270	7.3
149.10809	6.7
150.05443	7.5
150.09171	9.6
151.08716	9.4
160.09970	7.1
165.10246	19.3
165.25505	6.7
167.11830	19.0
177.10205	11.9
178.04950	6.7
191.11795	12.4
192.12553	7.8
193.13412	26.8
203.08194	18.1
204.06586	9.3
223.10870	13.3
237.12256	33.0
245.09200	16.4
245.12921	9.8
263.10272	20.7
267.62625	6.6
287.10529	7.2
305.11404	10.5
306.96033	8.1
454.37204	7.5
466.16376	15.6
770.27258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.27
Annotation	Unknow
Peak:m/z	Relative Intensity
68.02298	6.9
79.28358	9.0
84.91264	8.5
95.09574	9.7
96.08126	14.8
110.09684	10.9
116.43517	8.7
120.08102	9.9
122.09661	56.6
135.09186	22.3
135.20602	8.6
138.09164	26.1
140.10724	21.2
146.19786	9.8
150.05457	15.9
151.08698	14.4
155.06317	8.0
159.09277	10.6
165.10248	20.0
167.11832	24.8
177.10237	16.3
191.11818	23.4
193.13396	24.6
203.06313	9.4
203.08096	20.4
219.11240	9.2
223.10854	13.7
237.12344	22.8
245.09305	22.5
263.10330	22.2
305.11429	12.5
308.41006	8.8
422.13791	11.6
466.16107	15.0
488.16165	12.3
756.46271	12.4
770.27045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20851	6.4
55.05503	11.2
60.40285	6.9
67.05481	36.7
69.07051	13.4
70.32549	6.1
79.05482	14.7
81.07046	47.2
91.05443	8.6
93.07044	22.3
95.08607	17.2
105.06995	8.5
107.08591	9.1
109.10152	6.7
111.04424	13.0
114.77225	6.8
119.08601	9.2
121.10210	9.6
133.10141	10.1
135.11771	10.8
137.05984	100.0
184.07436	10.5
194.99797	6.9
197.40645	7.5
212.53362	7.7
218.07451	7.6
222.23753	7.5
233.84802	8.9
234.79842	7.0
277.17935	33.9
473.15463	10.9
516.35486	8.3
549.31189	8.6
611.43188	42.5
758.55402	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.532
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08148	10.2
62.58651	1.5
63.48352	1.6
67.51585	1.7
68.80605	1.5
70.29593	1.6
71.07334	4.6
75.68604	1.5
78.37068	1.8
79.26663	1.8
86.09695	46.8
95.08630	1.9
98.98443	2.4
104.10730	3.6
106.87117	2.3
109.10211	1.9
124.99989	24.0
153.36688	2.1
161.03275	2.0
184.07317	100.0
474.28314	2.4
601.65753	2.5
691.65161	2.1
770.52130	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27122	6.1
60.69139	6.3
63.43944	5.5
73.25004	7.1
73.39180	5.4
73.51312	7.1
84.54786	6.2
124.13525	8.3
129.12877	6.6
140.41740	7.3
160.87209	7.2
184.07339	12.5
186.00494	6.9
266.00464	7.7
348.42096	8.7
351.36417	8.6
547.87408	8.3
771.40887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82579	34.5
65.30954	31.7
66.33214	27.0
67.05485	34.3
69.45659	29.6
70.81594	30.0
86.09724	36.0
91.05463	33.4
105.15811	33.9
115.81326	35.5
120.48427	32.3
175.49817	41.4
184.07346	66.1
259.74982	39.7
454.00089	41.4
771.40204	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07035	3.4
61.02909	9.6
67.05478	13.8
69.03415	6.6
69.07040	4.6
69.12595	4.3
73.02925	7.5
79.05492	7.9
81.07043	14.9
85.02899	10.5
86.09685	15.6
91.70943	4.0
93.07034	10.0
95.08596	4.6
97.02869	9.0
102.79076	4.1
114.52636	4.1
123.51299	3.9
125.00037	11.2
147.18454	4.6
184.07336	31.5
491.26160	10.0
771.50055	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.2
61.39405	1.1
84.04493	25.8
93.45494	1.3
97.12379	1.2
118.06519	11.3
130.05011	4.7
131.05952	1.3
132.08075	4.6
142.06569	1.8
144.08067	11.2
146.06006	59.1
159.09174	12.8
170.06052	4.0
188.07059	100.0
189.07384	2.3
205.09731	26.3
225.10194	9.1
257.27896	1.7
277.11597	1.8
334.13919	44.9
493.11139	1.6
535.55151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80917	10.5
57.07072	9.5
67.05499	28.6
67.20908	9.2
79.05474	10.2
81.07040	52.0
86.09705	27.1
93.07052	18.5
95.08605	27.5
102.17070	10.3
105.07053	14.4
109.06528	13.3
111.04414	13.7
114.33685	10.9
115.01965	10.0
115.66144	10.0
125.00016	17.5
133.10199	12.1
135.11646	10.5
137.05989	100.0
184.07367	51.9
188.12183	13.2
221.21773	12.0
277.18005	33.1
316.26367	13.3
337.27200	16.0
430.77966	14.3
506.06119	12.0
613.44202	37.6
652.64587	14.4
665.12073	15.4
739.25671	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	0.7
58.06581	0.6
60.07864	0.6
60.08154	9.8
65.37064	0.5
65.72987	0.5
70.71772	0.5
71.07359	5.3
71.08618	0.7
72.88774	0.7
74.66090	0.6
85.26282	0.6
86.09698	44.4
87.10041	0.9
91.52806	0.5
98.98472	3.5
104.10728	4.4
124.99993	23.8
150.36667	0.6
157.82124	0.6
166.02597	1.7
168.24678	0.6
184.07327	100.0
185.07687	1.6
247.12202	0.6
772.51544	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	8.2
66.36579	0.6
71.07355	4.5
86.09695	40.2
88.94529	0.7
92.46447	0.7
98.98468	4.2
104.10725	2.5
109.07868	0.6
124.99992	23.9
126.15833	0.8
184.07327	100.0
185.07582	0.8
208.81497	1.0
232.55579	0.7
241.40996	0.7
565.27081	0.9
589.93451	0.8
754.52905	1.9
764.78607	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94394	0.6
60.07908	0.7
60.08152	9.1
69.66475	0.7
71.07366	5.0
82.43810	0.7
86.09697	46.5
90.55885	0.7
98.98475	4.4
101.03394	0.8
104.10728	2.5
124.99992	24.2
128.11848	0.7
136.15224	0.7
184.07327	100.0
294.52289	0.8
327.33414	0.8
620.92902	0.9
772.54901	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	6.1
55.05496	12.1
55.64107	5.0
61.27326	6.5
65.66538	5.3
66.37623	5.2
67.05489	14.4
68.04697	5.1
69.07042	14.8
71.64602	5.7
73.38707	5.4
79.05465	7.1
79.19621	5.7
81.07030	31.3
83.08604	13.0
86.09709	10.4
91.05479	6.9
93.07024	14.7
95.08614	19.2
98.00512	5.3
107.08556	9.7
109.06511	13.7
109.10139	9.8
111.04443	16.4
119.08621	6.1
137.05983	100.0
157.31194	6.9
175.11223	7.0
184.07338	19.2
231.17451	11.6
249.18539	8.5
277.18027	28.1
295.18945	16.3
339.28946	11.3
445.91986	6.2
520.09436	6.7
615.46100	46.4
633.46796	11.1
789.41272	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	8.2
60.67833	0.9
68.75961	0.8
71.07359	3.6
75.10652	1.1
76.15302	1.0
77.55212	1.0
81.07079	0.9
86.09172	2.1
86.09695	39.9
87.10024	1.3
90.86874	0.9
92.97015	0.9
98.98449	3.1
104.10752	2.0
111.71935	1.1
115.12276	0.9
116.92810	1.0
120.90520	1.0
124.99989	21.9
184.07327	100.0
185.07742	1.9
190.61214	1.1
246.22958	1.1
540.10706	1.2
756.54321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04994	0.5
60.07910	0.6
60.08153	8.5
67.41479	0.6
71.07355	4.7
86.09697	39.7
98.98453	3.5
104.10713	2.6
115.96263	0.6
124.99986	20.7
136.41743	0.6
164.30589	0.6
184.07324	100.0
302.92303	0.7
424.58328	0.7
726.87158	0.7
756.55682	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	58.4
64.26186	31.5
75.00872	38.3
79.81022	28.9
98.97579	92.0
140.00175	61.7
164.11426	34.9
181.02837	52.1
189.00859	51.6
200.02434	39.3
212.02289	57.4
231.99506	35.9
261.03174	47.8
293.05289	57.7
302.23022	47.1
321.04797	100.0
349.82224	41.0
388.27048	41.3
455.10031	51.5
555.13770	47.6
715.33264	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	30.1
55.34348	10.5
61.02914	27.2
67.05486	52.5
69.07049	18.8
69.51851	13.7
79.05487	17.7
80.82346	14.2
81.07034	39.1
83.08597	19.0
85.02885	20.1
86.09689	25.0
91.03956	16.0
91.05476	40.5
93.07037	28.8
95.08590	40.3
95.51361	14.6
97.02876	16.4
97.24293	12.3
105.07043	45.7
112.59791	13.6
117.06963	15.3
119.08578	32.7
131.08565	19.8
145.10120	26.4
184.07295	67.4
220.68178	15.5
222.20703	14.8
613.47803	100.0
730.13245	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	13.7
62.92099	11.6
64.51559	10.6
67.05492	37.2
69.03397	10.5
69.04710	8.8
69.07060	17.8
70.74486	10.6
81.07058	25.9
85.02905	17.5
86.09687	12.9
93.07018	18.9
95.08573	25.1
97.02890	12.4
105.07031	12.2
107.08572	12.5
119.08563	23.0
133.10110	10.6
145.10123	18.1
159.11754	13.4
184.07301	28.4
196.44983	11.4
207.79942	11.2
383.87891	13.1
387.18262	14.0
413.00085	12.5
502.73486	13.1
534.11456	13.2
613.48138	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21645	1.1
60.08148	7.1
61.08489	1.2
66.97980	1.0
67.05506	1.3
71.07356	3.5
86.09695	41.2
91.71015	2.5
98.98467	3.1
104.10744	2.7
107.35644	1.3
124.99988	21.0
125.00837	2.1
166.02565	1.6
167.76553	1.4
184.07324	100.0
238.42892	1.7
254.52148	1.4
669.88257	1.8
740.08954	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	10.0
57.70536	6.8
59.06541	7.5
60.25197	7.0
62.06898	7.6
67.22145	9.7
82.57513	7.6
86.09681	19.6
87.04454	15.4
89.06023	100.0
91.70991	18.1
120.25407	8.6
130.08643	13.9
133.08588	73.1
134.87395	10.5
139.18378	8.1
177.11226	31.3
184.07370	33.9
231.86067	8.6
279.04153	9.0
559.86145	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25314	7.9
57.07057	16.2
65.90060	11.0
68.53319	9.7
86.09704	11.6
87.04455	28.3
87.36092	8.4
89.06023	100.0
107.74648	9.3
115.92953	9.9
130.08658	27.1
133.08597	98.9
139.57741	9.7
145.04001	9.4
177.11241	29.2
184.07333	34.8
204.26228	11.0
228.36703	11.3
290.90869	16.8
517.59619	11.3
527.86908	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38172	2.7
56.05019	6.9
56.37415	2.4
63.46768	3.5
73.78678	3.0
84.04494	100.0
85.02879	6.2
86.06062	8.9
86.09699	81.8
88.55636	3.6
91.71608	2.9
94.06549	3.3
95.48066	3.1
102.05537	26.0
103.66224	2.8
112.84984	2.8
122.06029	19.3
129.06573	3.9
130.05009	51.7
132.10211	32.4
134.29358	3.1
142.04999	6.3
147.07680	4.6
149.07056	6.3
150.05534	11.8
152.10693	9.0
167.08147	4.0
168.06577	32.4
168.55386	3.2
179.36765	3.4
195.07608	20.0
196.06036	6.1
198.11288	14.6
203.21921	3.5
213.08687	8.5
241.08141	20.8
244.11818	5.9
259.09280	13.4
261.14456	16.2
343.11072	5.3
390.18750	11.3
423.76355	3.7
519.22693	13.1
644.04523	5.0
648.27368	18.3
720.95538	4.2
756.33551	4.6
777.31134	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	43.3
59.66887	6.0
62.16677	6.4
65.76485	6.0
67.05506	9.5
69.58907	6.7
84.32572	5.8
86.09679	8.6
91.71786	6.4
97.11408	7.4
98.97571	55.7
110.97610	10.0
116.98638	33.1
125.15385	7.8
128.98615	13.4
131.00182	26.8
134.99666	10.7
140.00200	29.9
146.99681	10.9
149.01205	21.1
152.00198	15.1
154.01796	20.5
154.90627	7.0
158.01254	15.2
158.99605	18.3
161.01219	8.8
166.01767	9.7
170.01279	16.6
170.99675	32.8
172.02812	35.3
177.00763	18.2
181.02908	20.9
182.01271	14.6
184.07419	13.9
189.00685	25.0
189.89735	8.5
191.02284	9.1
191.61349	9.2
193.02831	12.8
195.04477	10.2
200.02278	39.1
207.04454	8.3
212.02313	53.7
213.65169	7.5
242.03375	17.3
261.02795	22.6
279.03845	12.6
293.05392	26.3
302.05481	28.0
316.07007	20.9
319.19321	12.2
321.04868	100.0
332.06528	10.9
334.08102	26.1
334.40146	8.1
337.20731	11.9
360.22168	27.1
362.07602	42.0
384.36371	10.3
437.09772	20.5
455.10779	53.0
541.27124	14.5
555.28290	9.8
685.88983	10.5
717.33746	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85443	13.4
55.05500	32.8
57.07057	54.8
60.08132	15.7
62.71251	11.5
65.28986	11.6
67.05484	41.6
69.00902	10.8
69.07060	27.6
71.08626	73.3
74.25021	10.7
79.05486	16.3
81.07036	62.7
83.08627	16.4
85.10175	29.3
86.09693	57.2
91.05447	25.8
93.07022	24.1
95.08593	44.0
98.98524	13.9
107.08546	12.6
109.10167	14.2
112.09727	13.2
115.96621	11.6
118.00632	14.1
125.00003	25.3
131.20638	11.7
133.47212	13.2
138.18771	12.5
184.07339	100.0
185.07777	20.1
263.14832	17.3
275.19968	15.5
293.20993	95.3
336.60501	16.2
353.36084	13.5
605.47675	84.0
777.50446	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
60.08150	11.6
67.05496	5.2
69.07061	2.4
70.46226	2.1
71.07368	2.7
71.64505	2.1
79.05456	3.0
81.07027	7.4
86.09698	46.9
90.66059	2.1
91.05464	4.0
93.07094	2.3
98.98464	2.5
104.10741	3.9
105.07071	3.8
107.08569	2.5
124.99992	14.7
125.97816	2.3
134.23557	2.4
137.05954	4.3
184.07326	100.0
184.08922	5.2
207.61588	2.3
218.78009	2.5
313.45557	2.4
320.36816	2.8
320.41232	2.5
354.89032	2.4
686.08582	3.4
775.66699	2.8
778.51709	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5375
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.96867	0.5
60.07870	0.6
60.08155	10.9
71.07369	5.0
86.09698	45.6
86.34881	0.7
98.98445	3.1
100.31423	0.7
104.10726	2.7
117.94119	0.7
124.99999	26.3
128.67999	0.6
129.85831	0.6
166.02739	0.6
184.07332	100.0
185.07704	0.6
223.10452	0.7
778.52692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.2
69.03423	100.0
81.03432	3.4
85.02898	44.7
87.04463	68.0
97.02338	3.4
97.02879	13.2
105.05508	20.0
120.35227	3.3
127.03973	10.6
128.07146	5.3
135.26440	2.8
136.26999	2.8
145.04959	19.4
155.07018	13.4
163.06113	11.0
173.08089	21.8
191.09119	22.2
213.94275	2.7
259.11700	15.8
277.12750	20.3
325.11429	5.2
551.15765	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92130	2.3
55.05494	4.0
59.04335	2.2
60.08154	14.3
62.08002	2.3
67.05499	14.0
69.07037	5.5
71.07371	4.8
71.08629	3.3
79.05472	5.0
81.07047	14.3
83.08604	3.7
86.09706	46.1
91.05473	5.1
93.07020	7.3
95.08604	8.6
98.98479	3.7
99.15096	2.7
104.10711	14.0
105.07037	4.1
107.08588	5.6
123.73752	2.6
124.99998	28.1
132.35394	3.2
135.11641	5.0
149.12891	3.0
168.52580	3.4
179.14316	5.5
184.07332	100.0
275.18863	3.3
277.21881	3.5
309.24231	7.6
365.64444	3.6
374.85165	4.2
585.45227	11.8
791.43939	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	17.1
68.71485	3.3
81.30968	3.8
84.04506	30.3
84.96023	9.5
98.97591	15.7
103.05451	3.6
116.98624	12.9
120.08094	100.0
125.98650	4.5
128.98582	7.0
130.04997	4.4
131.04904	4.6
134.99664	5.6
140.00188	20.9
149.06013	7.4
152.00191	6.0
158.01263	10.5
158.99707	4.5
166.08611	29.7
177.00748	4.2
181.02931	12.7
184.03040	3.6
186.09193	5.9
194.01204	4.7
200.02361	5.9
219.01778	9.2
237.02753	11.1
242.03423	11.7
260.04434	14.4
283.06067	12.5
284.04398	6.1
295.12756	26.6
302.05338	4.4
366.08499	14.5
384.09778	5.3
385.07977	7.2
408.09659	16.5
426.10614	4.9
427.09387	8.6
452.08722	5.6
696.21777	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	4.8
55.50777	3.3
57.03430	6.1
57.07061	9.4
58.06589	52.2
59.07352	11.7
60.08146	16.0
67.05499	11.3
69.07050	5.5
71.08624	5.1
72.91853	3.8
81.07069	5.2
85.02876	4.7
86.09707	9.5
87.04420	5.1
95.08572	9.2
98.06023	3.6
109.10181	6.0
144.10168	20.4
156.82648	4.5
160.71138	4.0
162.11200	8.3
184.07378	11.9
236.14890	100.0
252.93535	4.5
378.66309	4.7
474.37665	15.2
572.79004	5.0
676.96228	5.2
748.56281	6.8
784.59650	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12610	12.4
56.92093	12.8
58.28036	16.1
59.21074	11.9
67.05511	14.4
79.12691	12.9
85.34496	14.4
86.09746	18.0
91.47573	13.0
91.71733	27.8
95.08637	13.6
106.95204	14.6
155.83620	20.1
157.89494	16.6
184.07420	44.5
195.00462	23.1
213.19699	15.7
259.57996	17.1
546.13458	23.6
625.83282	19.0
687.81293	21.2
785.45673	100.0
808.11774	19.9
815.14185	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82531	0.8
55.81004	0.9
56.29555	1.1
57.03426	1.1
61.02913	0.9
63.80671	1.0
65.63136	1.0
65.82463	1.0
69.03413	5.0
71.02064	1.2
73.02921	1.0
75.21787	0.9
81.03399	1.2
85.02894	25.5
91.05480	5.7
97.02892	7.0
99.04459	2.0
102.89484	1.1
109.02904	2.1
115.28215	1.1
119.04926	14.1
127.03909	5.2
136.06154	8.0
145.04955	11.7
147.04401	100.0
163.06039	5.0
167.33774	1.3
204.08749	1.8
325.11230	2.5
348.06924	2.4
359.24368	1.5
429.10748	1.4
779.72076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	8.2
65.19311	2.9
69.28104	3.2
71.07349	5.9
75.43848	3.1
86.09694	37.2
92.11130	3.4
92.19135	2.9
125.00027	20.7
184.07312	100.0
184.08899	5.2
202.07628	3.6
203.62415	3.9
263.72784	3.4
786.50897	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.6
56.74384	0.4
57.03424	0.5
57.07066	0.5
58.06588	4.1
58.96933	0.5
59.07370	1.4
60.01376	0.5
60.08154	11.0
67.05497	1.4
69.07057	0.5
69.18563	0.5
71.07359	5.7
71.08602	0.6
75.04447	0.6
75.28478	0.5
76.41210	0.5
79.05484	0.5
81.07040	1.5
85.02819	0.7
86.09696	48.0
91.05447	0.8
93.07055	0.5
95.08601	1.0
95.37837	0.5
98.98460	2.6
104.10740	5.2
108.33247	0.5
124.99989	22.7
131.13254	0.6
144.10155	1.6
157.12453	0.5
166.02625	1.6
184.07326	100.0
185.07648	1.0
207.18449	0.5
216.72191	0.6
233.79771	0.5
236.14883	8.4
257.15839	0.5
454.21863	0.7
474.37692	1.1
478.00821	0.7
528.38672	0.6
573.77759	0.6
596.74493	0.6
605.19897	0.7
628.46881	0.9
642.19049	0.7
650.67499	0.6
668.50555	1.2
750.58911	1.1
768.60168	1.3
786.52301	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.8
56.60414	0.3
58.06584	0.3
59.45962	0.3
60.07869	0.7
60.08155	9.9
67.05482	0.4
71.07356	4.8
72.68986	0.3
76.63738	0.3
84.14088	0.3
86.09698	46.1
95.25986	0.3
98.98461	3.7
100.85687	0.4
104.10735	3.8
124.99996	25.2
166.02620	1.4
184.07332	100.0
185.07599	0.6
224.40587	0.4
236.14786	0.5
286.26367	0.4
302.11792	0.4
574.24512	0.4
636.33936	0.5
786.52704	4.6
787.51709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05034	1.0
58.06607	1.1
59.07380	0.8
60.08157	9.6
67.05527	0.7
71.07378	3.0
74.45530	0.6
75.79179	0.7
81.07060	1.2
82.15110	0.8
85.37098	0.7
86.09698	44.5
95.08623	1.0
96.75890	0.7
98.98491	2.9
104.10777	3.3
105.79284	0.7
107.70406	0.7
124.99995	20.9
141.83813	0.7
166.02734	1.1
184.07335	100.0
194.15097	0.8
236.15007	1.9
319.51553	1.1
384.61722	0.9
786.52478	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05009	0.8
56.81889	0.5
60.08157	10.3
67.05485	0.9
71.07363	4.9
72.95410	0.6
73.61044	0.6
77.67230	0.5
83.61107	0.6
86.09695	49.9
95.08527	0.6
98.98446	4.5
101.08926	0.6
104.10754	3.1
124.99992	23.3
147.57138	0.6
158.56676	0.6
162.07698	0.6
166.02591	1.8
184.07326	100.0
210.20425	0.7
262.23904	0.7
329.34439	0.7
362.24609	0.7
456.01776	0.6
786.52496	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.6083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.3
57.03438	0.9
57.07032	1.2
58.06594	8.8
59.07362	2.6
60.07861	0.9
60.08153	13.2
67.05487	2.4
71.07367	5.2
75.04434	0.8
77.31207	0.8
81.07037	1.5
83.08593	0.9
86.09697	48.1
87.10027	1.0
91.70984	2.0
95.04951	0.8
95.08585	1.2
98.98483	3.7
104.10749	4.9
124.99998	23.4
144.10173	2.1
162.11145	0.9
166.02528	1.0
169.87108	0.8
184.07332	100.0
185.07738	1.3
232.22899	0.9
236.14932	15.0
326.47665	0.9
328.91806	0.9
415.09549	1.0
456.36703	1.2
474.37799	1.3
559.49884	0.9
668.50940	3.1
684.91864	1.1
750.58447	3.6
768.60297	2.0
786.51312	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72893	31.1
55.97481	28.2
56.96553	44.3
68.74352	33.4
71.01979	38.5
71.36448	33.5
73.14351	33.7
98.72504	38.4
111.34845	39.0
112.01520	32.8
150.35939	47.3
174.86975	46.4
188.33575	41.0
491.19580	100.0
772.77478	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
76.35104	6.4
86.09688	7.0
91.71701	14.8
97.09930	6.5
131.48589	6.8
134.53140	7.5
184.07394	19.4
221.88016	7.6
233.54535	7.8
311.20935	7.4
479.15482	8.3
787.47662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53426	4.1
72.65905	4.3
73.54412	4.1
81.34344	4.1
85.35390	4.4
98.33482	4.8
98.97580	12.9
104.61992	4.7
150.32683	4.9
219.01749	7.2
237.02818	11.2
242.03267	5.3
260.04352	7.8
291.02536	5.8
303.07651	15.3
321.08566	26.3
335.60614	6.1
344.10046	29.5
345.08203	9.1
363.09656	16.4
386.10846	9.0
420.11691	8.6
462.12738	100.0
506.11551	23.0
714.36066	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.5
58.06596	0.5
60.08155	10.6
60.22158	0.5
65.65466	0.5
71.07363	5.3
71.64698	0.5
73.31782	0.5
86.09699	47.8
87.09971	0.5
88.35915	0.6
92.42430	0.5
98.98453	4.8
104.10754	3.7
124.99998	23.3
166.02589	1.0
171.10640	0.6
184.07332	100.0
270.39334	0.6
311.36188	0.6
331.11862	0.6
756.26654	0.6
788.53973	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.8
57.36437	0.4
60.08161	8.5
63.23250	0.4
67.19890	0.4
71.07367	5.0
75.18403	0.4
76.68601	0.5
79.67786	0.4
82.41410	0.4
82.55750	0.4
82.63444	0.4
85.94511	0.5
86.09698	42.3
98.98459	2.7
104.10740	3.5
117.09019	0.4
124.99995	22.4
128.42862	0.4
166.02623	0.9
184.07330	100.0
185.07722	1.1
226.51888	0.5
326.95377	0.6
788.54248	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	0.9
60.07906	0.8
60.08155	10.0
67.51236	0.7
68.45618	0.7
71.07358	5.3
84.35667	0.7
86.09695	46.2
98.98476	4.9
104.10732	4.6
124.99984	23.3
175.28233	0.8
184.07326	100.0
189.36247	0.9
331.17688	0.8
468.97989	0.9
627.19135	1.0
788.54114	5.3
792.24976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.3
57.25777	0.4
60.08154	10.1
61.42611	0.5
67.62616	0.5
71.07363	4.6
71.07692	0.9
76.89810	0.5
82.09954	0.6
86.09694	45.8
97.01945	0.6
98.98440	3.4
100.75839	0.5
104.10726	3.7
124.99992	24.7
167.45676	0.6
184.07326	100.0
185.07608	0.9
210.50006	0.6
226.85077	0.7
261.47098	0.6
278.92633	0.5
282.94318	0.6
564.82007	0.6
656.70270	0.6
736.78699	0.7
788.53339	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	0.6
60.08155	10.2
71.07379	3.9
77.70272	0.7
82.51811	0.6
86.09698	46.6
98.98460	3.9
104.10744	4.3
109.57618	0.7
115.81136	0.7
125.00000	25.5
142.07854	0.8
184.07333	100.0
192.59331	0.9
295.75137	0.8
477.61551	0.8
495.97769	0.9
733.34711	0.9
756.21088	1.3
788.54425	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94016	0.7
56.05031	1.1
60.08154	8.2
68.26460	0.7
71.07355	4.4
80.34596	0.9
86.09698	46.6
98.98436	3.6
104.10731	3.9
106.56168	0.9
114.65778	0.9
121.28674	1.0
124.99995	24.7
127.49791	0.9
166.02626	1.4
168.63875	1.0
184.07332	100.0
185.07487	1.0
324.89285	0.9
378.28568	0.9
496.34946	1.1
756.36407	1.1
772.54163	1.1
790.51758	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.8
57.03431	10.5
60.08139	8.5
61.07508	4.5
64.32030	4.7
64.78587	4.0
67.05511	34.4
67.12731	4.4
69.07060	7.0
79.05461	15.5
81.07062	33.8
82.37051	4.7
86.09695	46.2
91.05462	19.2
93.07042	27.3
95.08594	22.2
105.07021	15.2
107.08592	10.3
109.10150	8.8
111.67400	5.2
112.28466	5.4
117.07018	7.1
119.08569	12.9
121.10133	12.6
125.00013	21.1
129.07042	7.2
131.08536	12.8
133.10112	10.2
135.11639	7.0
164.58922	5.4
184.07330	100.0
196.91869	7.0
203.14336	6.4
265.58890	6.4
288.98340	5.6
307.22601	41.1
361.27109	8.0
546.01038	6.9
657.98297	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.7
57.44638	0.6
58.75386	0.6
60.08155	9.5
64.77299	0.6
68.54815	0.8
71.07346	4.6
76.32215	0.7
81.42233	0.6
86.09697	46.6
91.71812	1.3
98.98466	4.2
104.10722	4.1
108.38583	0.9
124.99998	24.7
133.25279	0.8
184.07330	100.0
185.07605	2.6
598.29919	0.8
625.60260	0.9
644.04285	1.0
790.54498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	10.2
61.17217	0.5
70.82176	0.5
70.94554	0.6
71.07367	4.4
86.09698	43.4
87.10037	0.7
91.71621	0.8
98.98449	3.6
101.57546	0.6
104.10728	2.6
124.99995	23.2
166.02661	1.3
184.07335	100.0
185.07690	1.7
196.89491	0.6
198.78882	0.7
216.66600	0.7
547.90698	0.8
575.54163	0.7
790.55951	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.8
58.06585	0.5
60.08154	10.1
60.98568	0.5
62.90081	0.6
70.65226	0.4
71.07358	4.8
78.45490	0.5
81.06996	0.6
86.09696	46.3
87.09997	0.7
89.06000	0.7
91.71054	1.4
95.08572	0.8
98.98438	3.6
104.10749	4.2
124.99998	21.7
166.02615	1.5
184.07330	100.0
185.07654	1.5
198.99701	0.6
239.81578	0.6
267.12787	0.6
354.25659	0.6
394.99585	0.6
403.69974	0.6
772.54706	4.0
790.55768	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67219	6.1
57.07082	7.4
67.05499	12.8
71.08595	14.5
81.07056	20.4
81.48138	6.6
85.02921	13.4
86.09700	16.9
89.21787	7.3
91.03931	7.2
91.70990	14.7
93.07034	14.9
95.08590	9.9
97.02897	9.2
115.76015	8.1
184.07379	31.1
251.20392	8.2
282.59125	9.0
303.04144	8.3
345.98618	8.9
346.77982	8.9
647.24377	9.9
668.72449	9.7
756.26898	12.1
789.07068	9.8
791.52472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36105	8.6
70.06573	14.5
90.83372	11.5
95.01463	10.9
108.08112	81.0
122.09681	100.0
138.09094	12.1
150.09152	73.1
151.09988	15.6
156.98035	10.6
159.94160	10.8
166.28883	10.5
177.10284	33.6
255.25252	12.5
261.08722	20.4
264.10684	12.6
303.09930	15.6
323.12323	15.3
324.13083	14.2
393.52551	11.4
434.15088	13.0
447.60065	13.7
616.14612	18.3
656.55737	14.1
792.29907	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36105	8.6
70.06573	14.5
90.83372	11.5
95.01463	10.9
108.08112	81.0
122.09681	100.0
138.09094	12.1
150.09152	73.1
151.09988	15.6
156.98035	10.6
159.94160	10.8
166.28883	10.5
177.10284	33.6
255.25252	12.5
261.08722	20.4
264.10684	12.6
303.09930	15.6
323.12323	15.3
324.13083	14.2
393.52551	11.4
434.15088	13.0
447.60065	13.7
616.14612	18.3
656.55737	14.1
792.29907	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83583	4.5
61.52189	4.0
63.23199	4.2
66.04839	4.1
66.45910	4.1
70.06588	4.3
73.66438	4.0
80.03167	3.7
96.08132	12.4
107.07315	6.2
108.08114	62.8
110.09641	6.7
120.08073	14.1
121.08900	8.2
122.09668	100.0
124.07576	6.1
135.09187	15.1
136.07617	7.2
138.09158	13.5
142.42206	4.6
147.09103	6.0
150.09135	54.6
151.09924	9.0
161.07140	8.5
163.08630	5.8
165.10223	11.4
177.10223	39.5
177.66042	4.6
190.65971	5.2
219.11406	8.1
221.09308	6.1
238.32880	5.0
245.09247	7.6
261.08707	14.1
263.10422	9.6
281.11295	10.9
287.10367	6.0
309.10999	8.3
313.08197	6.0
323.12384	19.1
324.13089	9.4
377.13434	13.0
398.17407	8.1
429.34259	5.0
493.72543	5.6
515.44659	5.3
554.78448	5.8
655.22278	13.5
774.29041	7.5
792.30463	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	15.5
57.07074	11.0
67.05502	100.0
69.07042	17.1
73.18530	12.5
79.05481	52.0
80.28507	12.1
81.07046	66.0
86.09711	31.6
91.05466	36.6
93.07037	63.0
95.08592	56.5
95.23544	15.1
97.45789	13.6
104.13852	13.6
105.07067	20.2
107.08575	24.5
109.10162	32.1
119.90896	12.7
121.10156	25.1
131.08542	23.7
133.10121	20.1
159.11696	17.2
168.27234	15.7
178.62929	15.8
184.07368	30.8
187.29700	15.3
193.51826	15.7
243.21098	16.9
335.25882	62.4
345.92035	15.2
599.97272	15.9
622.04205	16.7
756.30975	19.0
814.54413	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	25.8
55.69152	6.5
57.03410	26.0
57.07052	6.2
60.13242	4.9
61.02924	5.7
67.05496	100.0
69.07048	24.9
79.05478	47.7
81.07042	99.0
83.08605	16.3
85.02924	5.8
86.09669	7.0
91.05493	35.5
91.49482	5.2
93.07027	75.7
95.04970	11.8
95.08594	87.6
97.10200	6.5
105.07032	31.0
107.08565	30.5
109.10139	29.0
112.63655	5.2
112.70515	6.5
114.13745	6.7
117.07006	12.2
119.08595	22.5
121.10154	25.2
121.24670	5.1
123.11736	13.6
124.14055	5.5
127.70838	5.4
131.08585	16.6
131.13766	6.3
133.10144	18.9
135.11745	18.1
141.17862	5.9
145.10138	19.3
149.13344	11.4
159.11737	9.2
161.13281	12.3
166.34825	6.4
173.13268	14.8
184.07401	11.4
243.21019	10.7
259.20709	7.5
261.22180	20.0
335.25763	94.3
337.27420	11.6
595.47485	9.1
619.56409	6.8
637.48279	6.8
792.52740	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	20.4
55.18102	18.5
57.07058	24.3
60.89911	20.4
67.05482	81.8
69.07055	31.3
74.71629	22.2
81.07050	64.2
91.05455	31.5
91.71310	67.9
95.08607	64.7
105.07024	32.0
105.32280	25.4
120.83108	24.0
130.15903	30.8
135.11742	32.6
166.06149	23.1
206.74158	24.8
219.51387	22.3
249.16039	30.9
255.51256	27.9
287.23917	33.3
293.74786	23.2
309.24173	100.0
330.23959	29.0
355.78763	27.5
708.57330	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47541	0.5
63.85001	0.6
68.81956	0.6
69.03419	100.0
86.09718	0.9
87.04472	6.4
96.48826	0.7
106.39941	0.6
107.72041	0.6
120.01620	0.7
155.07016	21.3
173.08101	2.7
184.07364	1.2
190.40404	0.7
241.10741	2.4
259.11801	2.4
277.12851	0.8
345.15720	1.0
349.59341	0.8
404.65784	0.7
409.78476	0.8
490.22601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91179	13.6
57.07072	18.5
61.02925	12.3
65.65821	12.7
67.05506	18.1
72.52866	12.5
76.68513	13.8
79.52630	13.1
83.85965	13.9
94.74046	17.4
151.68027	16.0
153.17224	16.0
168.28635	15.0
187.29362	17.5
369.26715	19.2
408.43109	18.7
480.64685	22.0
653.61444	18.6
743.67444	20.9
757.59131	19.4
793.54907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78555	4.4
57.03425	18.7
61.02917	7.9
61.10845	4.5
67.05495	60.8
69.03422	5.0
69.07059	31.8
71.04977	74.3
73.02894	6.2
75.33933	4.4
79.05481	12.8
79.38051	4.5
81.07048	60.5
82.41441	4.7
83.08612	16.9
84.87424	4.2
85.02884	18.6
86.09653	5.4
86.64416	4.9
90.61321	4.8
91.03973	11.4
91.05488	14.6
93.07050	14.1
95.08596	45.2
97.02859	7.5
97.10176	7.8
99.04456	38.5
105.07030	8.1
107.08604	9.9
109.10155	18.7
112.29485	5.8
119.08585	7.4
123.11738	5.7
129.05508	11.1
157.16577	5.6
173.08081	59.4
184.07356	10.8
190.34560	4.9
263.23718	6.7
337.27310	100.0
377.32791	7.8
435.31104	58.3
453.31787	6.3
513.88342	5.5
542.98999	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06560	0.9
60.08154	10.0
66.88728	0.9
67.05499	1.9
71.07366	4.3
81.07047	1.1
86.09696	44.6
87.04478	1.3
91.05496	1.0
93.07059	1.6
95.08573	1.6
98.98459	2.7
101.13718	1.0
102.05159	0.9
104.10732	3.3
104.95969	0.9
107.26144	0.9
124.99992	20.6
128.02898	1.0
145.76318	1.1
147.08093	1.1
166.02667	1.5
184.07326	100.0
185.07765	1.3
238.36108	1.0
264.89816	1.2
318.34039	1.2
459.21368	1.2
535.37354	1.3
681.20050	1.2
794.52850	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
57.07053	2.4
58.45556	1.4
65.03925	1.7
65.45466	1.4
67.05492	20.2
69.07052	6.4
72.75236	1.4
79.05475	13.9
80.87946	1.6
81.07044	41.1
83.04957	4.4
83.08594	2.7
86.09676	1.7
91.05468	28.4
93.07034	12.9
95.04970	3.0
95.08591	16.1
97.06505	4.6
105.07015	12.6
107.08583	7.1
109.06488	10.6
109.10146	3.8
111.04436	16.4
117.07017	4.4
119.08549	13.3
121.10143	6.4
123.08086	2.7
123.11668	2.5
125.05964	4.8
129.07004	4.4
131.08583	5.8
133.10101	10.7
135.08072	4.0
135.11691	5.4
137.05966	100.0
140.75804	1.6
143.08545	2.3
145.10127	4.1
147.07954	2.0
147.11679	10.0
149.09596	5.2
149.13235	2.1
151.07549	3.1
151.11150	2.2
154.92621	1.6
157.10150	3.7
159.11661	2.4
161.09618	5.7
161.13237	2.7
163.11182	3.8
165.09106	3.3
171.11691	2.0
171.42711	1.5
175.11212	5.6
179.03369	1.5
181.12245	1.8
184.07339	7.1
193.12236	1.9
203.07898	2.1
203.17838	9.6
213.16428	3.3
221.19154	1.7
231.17470	6.8
249.18456	6.2
277.17957	29.4
295.18967	12.2
320.22086	4.5
351.21622	15.3
361.27380	7.0
391.57285	2.1
600.52155	2.4
629.76331	2.0
637.44470	43.4
638.44867	2.6
655.45410	9.3
787.76990	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	100.0
65.22926	13.2
75.30407	12.1
87.04469	37.2
89.06030	84.3
91.05463	14.5
92.04205	15.6
121.06543	26.8
130.08615	43.3
132.43570	16.8
133.08611	64.3
145.53253	17.0
168.22433	17.5
174.21123	16.3
177.11218	29.3
232.89873	16.5
234.66461	18.9
458.13312	18.3
768.86530	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.5
57.07061	3.6
60.08149	8.2
66.35136	1.4
67.05509	7.1
69.07086	1.6
71.07351	11.2
71.08624	2.7
81.07050	7.8
83.96290	1.8
86.09698	71.1
86.33090	1.4
93.07043	3.7
95.08622	5.4
95.48888	1.5
98.98466	3.7
104.10763	2.7
109.10120	1.6
125.00007	24.0
128.60544	1.5
139.82843	1.7
146.98192	9.1
184.07330	100.0
232.55519	1.7
479.76013	1.8
479.98035	1.7
613.48279	15.8
726.34045	1.8
737.47113	18.0
794.27142	2.1
796.54413	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
56.14283	0.4
58.06599	0.5
60.08154	10.4
67.05483	1.1
69.06991	0.4
71.07359	5.6
76.26815	0.5
81.07021	0.7
86.09692	45.8
87.09985	0.6
92.00592	0.4
98.98457	3.6
104.10713	3.7
106.22291	0.5
114.51476	0.5
115.93021	0.5
124.99992	25.1
140.01111	0.6
166.02652	1.1
184.07324	100.0
593.59650	0.5
683.73468	0.6
796.54510	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	6.4
62.92887	2.5
67.05494	4.6
71.07364	3.0
81.07036	4.8
86.09691	39.1
93.07028	3.3
94.76085	2.6
95.08594	3.4
110.47526	2.7
111.18199	3.2
124.99995	17.7
145.53780	2.8
151.90887	2.8
171.78941	2.9
184.07336	100.0
184.08951	6.2
264.06064	3.3
276.05914	2.9
278.32138	3.6
391.44165	3.8
522.92181	3.0
826.60901	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20818	1.8
64.17000	2.0
65.80473	1.9
69.03418	2.6
71.73042	2.2
79.05463	2.1
80.05031	2.0
85.02901	3.8
93.07055	7.9
94.06562	10.1
95.07332	6.9
96.08120	14.1
97.12645	2.1
97.45506	2.0
98.06028	2.4
108.08091	13.2
110.09673	22.1
120.08082	25.5
121.08858	2.3
122.06036	7.3
122.09646	8.7
127.45927	2.1
131.07295	3.0
136.07565	7.6
138.09134	100.0
146.09593	6.0
148.07582	2.5
150.09143	10.0
164.07048	11.6
166.08621	3.3
174.09174	8.3
181.09717	9.9
188.07066	3.6
191.08118	9.4
202.08664	8.0
203.08348	3.5
217.09769	6.6
220.09695	7.0
230.08128	3.2
233.09265	2.9
245.09250	3.8
247.66571	2.4
248.09254	4.5
257.09061	3.0
261.08676	62.6
262.09085	3.3
287.10089	5.4
301.15128	2.7
305.11273	4.7
307.12933	6.5
398.16916	8.0
406.17545	4.5
434.17068	6.8
470.19318	7.4
472.20474	6.8
480.17645	5.2
589.26398	7.9
607.27386	5.5
609.60516	2.5
617.26166	27.0
635.26923	16.6
723.82202	3.2
829.35046	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18540	3.3
93.07070	7.3
94.06586	7.5
95.07370	5.7
96.08149	15.4
101.60384	3.2
103.63029	3.0
108.08146	12.5
110.09678	23.4
112.66576	3.1
113.41038	3.1
120.08110	23.6
122.06080	7.7
122.09695	8.7
131.07420	4.1
136.07600	7.8
138.09134	100.0
146.09624	4.9
150.09117	3.8
164.07120	11.0
166.08722	4.2
174.09216	8.1
181.09796	4.7
191.08240	5.8
202.08777	7.7
213.03511	3.7
217.09796	7.5
220.09778	12.3
229.29466	4.8
230.08159	5.0
257.09256	13.0
261.08679	98.9
285.08578	25.7
313.08356	11.2
331.09146	18.6
398.17123	15.0
406.17825	11.7
468.17987	5.6
470.19229	10.9
480.17627	18.0
530.19672	5.1
589.26923	5.8
603.38831	4.6
617.25909	25.5
635.27692	17.6
642.23529	6.9
700.35986	4.8
756.35962	6.0
779.30890	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
68.43253	2.4
70.47002	2.5
87.91354	2.5
88.69677	2.7
91.05439	4.2
91.71014	6.3
93.07021	9.1
94.06540	8.6
95.07352	6.2
96.08099	15.9
99.11055	2.6
103.70045	2.9
107.07401	2.9
108.08119	9.8
110.09674	21.4
120.08092	27.2
121.08890	3.8
122.06049	7.0
122.09653	5.3
136.07544	7.7
138.09129	100.0
139.50548	3.3
150.09036	3.8
164.07069	11.2
166.08630	5.5
174.09111	4.7
177.06601	5.3
181.09720	9.1
184.03839	3.6
191.08044	7.6
202.08681	6.3
206.31247	3.5
217.09740	4.0
230.07895	3.9
245.09276	4.5
248.09167	6.0
259.10950	3.8
261.08722	31.5
266.83319	3.3
285.08664	4.4
287.10303	6.3
307.12906	4.5
313.08279	5.0
331.09192	3.7
406.17523	4.4
470.18936	6.7
480.17566	4.7
524.19324	3.6
555.34576	3.8
589.26617	9.7
607.27203	3.9
617.26398	21.7
635.27008	24.0
655.24823	3.6
787.03973	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42474	16.8
68.62991	15.2
75.37029	16.1
86.09692	33.8
89.03896	19.2
90.98245	15.1
93.07029	19.9
95.33662	16.1
120.39354	18.3
134.80508	18.3
137.62535	18.2
139.03766	16.9
143.41745	21.4
184.07396	40.7
201.87584	20.9
245.37218	21.8
256.28839	21.2
763.08099	26.3
797.52051	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41431	8.5
61.02918	13.0
67.05485	19.3
69.07050	7.6
81.07051	12.5
85.02918	8.8
86.09699	19.9
91.05470	10.0
91.70988	13.5
93.83129	8.2
94.63686	7.3
95.08607	11.4
107.53670	7.7
107.63735	7.2
138.83966	8.7
148.75468	8.4
149.05554	10.2
184.07361	11.9
493.27414	11.7
554.64655	10.4
797.51727	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79478	15.0
62.91000	13.6
73.05809	15.2
80.71339	16.1
81.07055	20.7
81.48560	15.3
83.06107	18.3
89.92953	15.2
90.18665	14.5
91.05486	15.2
91.71551	21.3
95.08620	20.0
100.31080	15.8
135.81683	16.6
184.07292	23.3
224.56892	17.1
235.94942	16.6
256.42914	21.2
386.90689	19.0
420.57547	23.0
797.51538	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05059	8.9
57.07066	10.9
66.03974	7.6
67.05499	88.4
69.07060	18.4
79.05499	22.2
81.07052	84.9
83.08601	14.0
86.09700	39.4
91.05474	44.9
93.07023	13.6
95.04945	12.3
95.08607	40.7
104.91289	7.8
105.07050	16.6
107.08598	19.5
109.10158	30.1
121.10106	11.1
123.11755	11.3
124.99993	16.0
129.55898	13.1
133.10162	22.4
137.09679	11.9
147.11674	11.5
151.11215	10.2
184.07330	100.0
197.26958	10.0
253.14491	12.1
275.20142	17.9
309.24280	31.6
367.24826	19.5
601.44385	22.7
758.40112	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	18.5
57.07076	9.6
67.05495	93.8
69.07056	38.6
77.09368	4.7
79.05491	37.0
81.07050	97.5
82.09473	5.1
83.04967	15.9
83.08620	33.6
86.09703	7.3
91.05470	39.2
93.07040	52.2
95.04963	47.5
95.08604	55.8
97.06522	10.7
97.10178	14.6
99.08105	6.9
103.01817	6.4
105.07001	36.8
107.04953	9.3
107.08594	29.0
109.06510	7.8
109.10155	22.9
111.04460	15.7
116.07360	6.8
117.07020	7.2
119.08586	29.2
121.06450	7.7
121.10158	15.9
123.11710	17.1
125.09570	11.5
131.08607	11.6
133.10109	19.1
135.11678	10.3
137.05899	7.8
137.57710	6.3
145.10121	16.6
147.11781	7.5
149.09601	20.5
163.11182	17.6
184.07272	10.5
189.11229	8.3
223.13242	28.3
275.19919	29.4
293.21167	19.4
309.24182	100.0
309.27493	9.8
349.23715	11.4
367.24667	30.6
583.43109	14.4
601.44635	48.0
625.63629	6.9
680.88898	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.3
57.07056	9.0
58.18148	6.3
64.82530	7.0
67.05494	100.0
69.07063	39.1
69.67619	6.4
71.08624	28.5
73.29521	6.8
79.05476	18.4
81.03390	7.6
81.07047	85.6
83.08597	11.6
86.09705	19.5
91.05470	28.7
93.07040	34.4
95.04965	7.9
95.08587	39.9
97.10159	16.9
99.08071	15.6
102.79741	8.4
105.07024	14.6
107.08587	21.4
109.06575	7.2
109.10154	26.2
119.08585	13.1
121.06500	10.4
121.10130	15.6
125.00035	10.6
131.08609	9.5
133.10161	24.8
135.11728	11.2
147.11665	12.2
156.76071	7.9
163.56488	7.5
184.07359	51.1
275.20105	9.9
293.21112	93.5
309.24222	75.7
317.69260	8.7
367.24915	25.0
451.75046	9.7
528.76270	8.2
601.44525	34.8
680.21857	10.0
726.55243	9.1
741.41492	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.7
57.07066	5.8
59.37656	3.4
62.92163	3.7
64.57026	3.6
65.03942	4.2
67.05174	5.4
67.05496	59.9
67.69965	3.3
69.03414	4.1
69.07062	33.0
70.67647	3.6
71.08616	30.9
79.05479	23.8
81.03424	5.4
81.07050	59.2
83.08615	13.6
86.09676	21.6
91.05481	17.1
93.07032	21.5
95.04955	8.2
95.08595	36.4
97.10159	5.5
99.08099	15.9
105.07023	12.1
107.08586	16.5
109.10151	12.0
109.61423	3.7
117.06934	5.7
119.08593	14.0
121.06516	8.4
121.10153	9.6
123.11692	4.5
124.99999	11.8
133.10132	8.4
147.11691	5.1
151.11179	5.9
160.22745	4.4
162.41957	5.2
184.07303	42.4
185.07761	10.4
235.51089	4.8
262.05310	5.2
275.20151	8.4
293.21066	100.0
309.24164	63.0
367.24890	35.7
454.21976	5.9
541.68445	4.8
601.44434	47.6
728.28564	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5643
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	9.4
71.07350	6.8
86.09695	42.4
91.05486	1.8
93.07081	1.5
98.98445	3.5
104.10734	1.8
109.10149	1.7
111.99061	1.7
124.99983	19.9
184.07323	100.0
265.02051	1.5
284.69897	1.9
307.79941	1.4
365.00983	1.7
780.54590	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.3
60.08152	10.2
63.40310	1.0
67.05489	2.1
69.37257	0.9
70.83708	1.0
71.07355	4.3
76.56090	1.1
83.49199	1.2
86.09694	42.4
98.98461	2.9
104.10728	3.4
124.99995	21.8
152.10289	1.2
155.02034	1.3
155.75041	1.2
184.07321	100.0
185.07576	1.4
265.36127	1.4
335.52808	1.3
465.84839	1.5
569.35938	1.6
756.20270	1.4
780.54761	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	0.7
60.07858	0.8
60.08155	9.9
65.07959	0.6
71.07365	4.5
81.07064	0.8
86.09698	40.0
87.10027	1.3
95.08591	1.1
98.98454	2.8
101.38895	0.8
104.10732	3.2
107.08563	0.8
108.60762	0.7
114.70950	0.8
125.00008	21.7
127.49232	0.7
156.55576	0.7
166.02635	0.9
184.07336	100.0
185.07669	0.9
199.11217	0.8
273.61459	0.9
505.68268	0.9
780.55450	1.4
798.56097	3.4
810.62756	1.0
832.80298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	26.4
57.07049	21.1
61.02904	41.7
67.05492	98.5
67.62923	22.2
69.07048	49.9
71.08629	19.7
73.02879	20.6
73.08665	16.6
79.05492	40.7
81.07026	81.6
83.08588	29.1
85.02881	29.9
86.09679	25.8
91.05466	94.7
93.07047	63.4
95.04946	29.2
95.08575	76.9
97.02877	28.9
97.06523	22.1
104.73383	18.1
105.07040	56.6
117.06996	40.9
119.08578	53.3
121.10142	30.3
129.05542	22.6
129.07002	42.7
131.08571	50.9
133.10066	26.3
143.08562	41.5
155.08588	34.8
183.11813	23.5
184.07178	33.1
209.77339	22.4
467.51962	21.1
637.48010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02204	18.0
60.08144	40.4
64.45164	21.7
75.85236	19.1
95.06104	22.4
125.71445	25.4
126.02495	31.3
127.03236	73.1
127.27586	25.3
127.85366	21.5
141.39493	23.7
163.03812	41.5
184.09097	31.4
185.09846	43.5
351.91571	26.2
756.18170	100.0
783.82690	32.7
816.69348	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82652	6.4
62.27576	6.6
64.71269	7.2
67.05496	29.9
69.07079	10.0
74.08207	9.4
79.05469	13.3
81.07055	47.9
86.09681	9.5
91.05466	11.1
93.07053	13.0
95.04940	10.7
95.08585	18.5
109.06480	11.6
111.04459	14.3
121.10156	19.5
137.05977	100.0
164.17041	10.6
184.07353	30.0
277.17917	24.8
277.58566	9.4
442.16272	11.4
641.47644	40.4
659.48376	14.0
771.23810	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86373	28.0
59.99238	25.4
61.37783	27.9
67.05493	100.0
69.03387	30.8
71.08621	30.4
79.05492	49.4
81.07025	83.2
83.08616	59.2
86.09714	50.6
93.07037	51.8
95.08614	43.7
97.10172	35.5
107.08573	43.7
112.58504	30.5
124.99992	35.7
169.81250	38.3
184.07278	83.0
217.19870	30.4
227.12796	50.1
309.23999	75.1
410.31573	30.7
516.82642	37.0
585.45050	46.9
585.54303	33.7
673.33575	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	15.6
60.61884	12.3
61.27549	11.7
62.34722	11.4
67.05496	100.0
68.92358	13.6
69.07079	46.7
79.05492	22.3
81.07043	99.5
85.10184	26.5
86.09702	23.6
91.05502	44.8
93.07051	28.6
95.04967	21.4
95.08640	58.1
105.07075	31.3
109.10186	28.7
113.09670	23.7
119.08628	21.1
123.11736	16.7
124.99991	20.8
127.87325	17.1
165.12791	28.7
167.35988	15.2
184.07417	60.3
200.05496	17.1
242.24725	14.5
261.42722	14.3
295.22794	36.6
309.24203	89.6
351.25726	20.6
387.28726	17.2
399.42920	18.1
404.81921	19.9
435.40009	16.9
465.14166	15.3
491.07373	17.6
585.45636	28.8
603.46130	53.1
719.41412	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	17.8
57.07073	10.8
57.40791	3.7
60.23485	3.7
63.33512	3.8
65.03928	5.0
67.05490	99.8
67.56169	4.5
69.03421	12.5
69.07053	24.8
71.08617	14.2
79.05483	30.5
79.44468	4.2
81.03410	9.3
81.06596	7.8
81.07047	100.0
81.07485	9.3
83.04987	9.8
83.08617	26.2
85.02890	5.3
85.06520	6.7
86.09703	6.9
91.05468	37.9
93.07040	42.6
95.04922	7.0
95.08598	53.7
97.06548	7.6
97.10147	8.2
99.08082	9.7
105.07031	15.2
107.08587	25.4
109.10146	14.1
111.08127	4.3
117.06998	5.3
118.74461	4.3
119.08596	13.2
121.10150	13.3
123.11711	6.5
124.99999	6.1
125.09632	4.9
131.08577	9.3
133.10149	15.0
135.11674	12.3
144.12601	4.2
147.11671	7.2
149.13290	12.1
151.11230	9.7
184.07382	9.4
235.20596	6.5
269.17441	28.3
309.24167	57.5
309.26895	5.3
351.25064	6.7
456.62814	5.5
503.37271	65.8
729.70038	5.2
801.45721	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.6
57.07071	0.9
59.85793	0.7
60.08155	9.1
67.05499	5.6
69.07033	0.9
69.62209	0.7
71.07355	7.2
77.82575	0.8
78.27970	0.7
79.05475	3.6
81.07054	5.4
86.09698	57.7
87.10038	1.8
91.05473	3.0
93.07049	6.0
95.04937	1.3
95.08595	3.2
98.98463	2.8
104.10748	2.5
105.07033	1.2
107.08612	2.4
109.10110	0.8
119.08611	0.9
121.10126	2.1
124.99995	20.0
131.08543	1.0
146.98183	12.4
163.46634	1.0
166.02597	1.9
184.07327	100.0
185.07663	4.3
186.07808	1.2
188.00800	2.4
204.28596	1.1
211.64861	0.9
272.14771	1.1
460.19818	1.2
595.47101	1.1
617.45300	9.3
741.44580	4.1
782.56281	3.7
800.51587	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.1
60.08155	7.9
63.72876	0.9
67.05528	1.3
71.07382	4.2
75.46312	1.0
86.09696	44.0
87.10079	1.6
93.23082	1.0
95.08629	1.5
98.98496	3.3
104.10784	3.0
107.08575	0.9
124.99995	23.9
136.05096	1.0
159.87796	0.9
166.02693	1.2
184.07321	100.0
185.07680	1.7
198.60880	0.9
292.57767	1.2
356.39752	1.1
469.15186	1.2
782.56592	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	52.2
59.78082	49.1
65.21067	45.7
75.37554	46.2
91.27296	41.5
93.25745	40.6
98.01006	49.2
112.97652	45.2
167.81102	55.3
172.02792	61.3
200.02359	49.5
210.51949	53.6
212.02303	53.0
265.68442	54.0
302.05365	73.5
347.50546	69.6
347.55069	62.2
455.10614	100.0
468.65530	56.7
589.53326	62.8
645.03174	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
63.56807	20.7
67.05509	39.1
68.22927	20.4
71.41160	22.1
81.07039	25.6
86.09661	38.6
86.20302	27.4
86.84661	23.9
91.05488	23.5
93.07029	41.7
93.70495	22.5
96.72504	23.1
103.58610	22.6
110.65427	23.9
130.13219	23.5
150.79155	24.7
156.25883	23.7
157.02193	24.2
160.26591	23.5
184.07332	100.0
196.93816	25.6
228.27596	23.5
285.59451	30.5
628.97839	38.7
801.47455	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	10.4
67.05508	30.5
69.07076	11.0
79.05476	14.9
81.07073	26.5
85.02898	23.4
85.10165	9.9
86.09708	16.9
87.46316	9.9
93.07097	14.7
95.08643	20.6
97.02885	13.1
113.52762	10.3
177.25870	13.1
184.07339	16.2
344.71588	14.9
466.24503	13.9
471.10480	14.1
493.27542	17.8
690.25671	18.3
801.47534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	18.5
60.08146	13.1
61.19791	9.2
64.26124	9.0
67.05492	32.5
69.07033	13.9
78.81726	10.0
79.05481	14.0
81.07050	33.4
86.09686	49.6
91.05453	18.3
92.08537	11.0
93.07021	29.1
95.08611	20.1
97.10171	15.3
100.04256	10.4
105.07002	12.3
121.30231	10.8
125.00013	25.3
126.18080	12.7
153.85561	13.1
157.75179	10.8
174.21162	12.0
184.07376	96.8
185.07877	13.2
195.00319	46.1
236.62469	12.7
393.25339	13.3
457.37762	14.2
629.47516	100.0
801.49304	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.9
60.08147	7.7
60.19138	0.8
60.26727	0.9
67.05495	1.9
71.07355	6.1
86.09695	42.9
93.78670	1.0
98.98451	2.9
100.58945	1.0
104.10734	5.0
113.07140	1.1
124.99993	24.1
139.15105	0.8
141.64445	0.9
184.07320	100.0
185.07732	1.3
337.96848	1.2
447.68201	1.2
452.78629	1.2
477.92441	1.3
802.51672	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90557	4.4
58.96384	4.9
60.08157	10.4
65.91653	4.2
67.05499	32.0
69.07068	6.0
71.07351	16.5
79.05495	15.6
81.07037	23.9
86.09702	100.0
91.05440	7.8
93.07040	17.0
95.08578	17.1
104.10767	5.5
107.08572	7.8
121.63790	5.0
122.27113	5.4
125.00002	19.0
133.42221	5.4
146.98151	40.4
184.07349	91.6
188.00908	8.7
274.19351	6.0
352.17542	8.8
355.44357	6.6
453.45236	7.1
590.52216	6.5
619.46722	38.7
743.45612	28.7
802.53253	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.9
60.08155	10.1
62.54597	1.7
71.07364	6.0
80.99473	1.9
86.09694	45.6
98.98439	2.1
102.54790	1.9
124.99992	26.1
184.07335	100.0
185.07530	2.8
206.07118	2.2
222.33562	2.1
421.90808	2.4
489.30746	2.7
728.00665	2.6
802.53802	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.8
60.08150	9.4
67.05504	1.9
67.70421	1.6
69.07063	2.1
71.07366	6.8
71.08653	2.4
80.20456	1.6
81.07070	1.7
82.44622	2.3
86.09702	45.5
94.95912	1.8
98.98446	4.0
104.10788	3.4
124.99991	25.9
184.07330	100.0
301.25815	2.3
382.10968	2.2
466.61859	2.3
802.50568	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
66.35425	15.0
69.51474	14.1
74.99265	14.4
86.09676	28.9
88.41888	17.0
95.92920	16.0
104.41930	16.2
112.75832	16.5
124.99941	19.8
131.07813	17.7
165.11169	17.3
171.60193	16.1
176.64027	15.9
179.78334	16.6
184.07329	40.4
223.19861	17.8
286.45084	16.2
293.55081	19.5
300.39706	17.1
301.70023	16.7
301.73920	16.7
327.36795	18.4
427.88525	19.8
436.13162	19.6
551.46283	18.5
636.26807	24.9
691.76056	21.4
755.21973	21.3
803.47192	100.0
818.15460	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99857	5.4
67.05467	7.6
81.07042	13.3
85.02892	6.9
86.09691	46.0
93.07031	12.6
111.73710	7.0
112.15826	6.2
118.86830	7.2
123.69397	7.8
125.00003	16.6
131.08577	7.0
146.36771	7.4
175.01706	7.4
182.82434	6.7
184.07314	100.0
204.52029	8.0
310.56573	10.5
350.61450	10.3
459.17664	8.0
570.60608	8.8
803.48883	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75476	7.0
58.96522	5.9
61.02908	8.1
61.90216	5.8
67.05488	19.5
69.03426	11.8
69.07064	7.9
75.72307	7.4
81.07044	21.8
85.02950	8.8
86.09704	21.4
91.03902	7.9
91.05465	9.2
91.70941	7.0
93.07029	10.3
95.08616	14.9
104.85367	6.8
121.90807	6.8
184.07375	42.3
317.38766	9.1
386.71384	9.2
493.27756	15.7
803.49078	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08123	15.3
67.05467	15.7
68.74774	9.4
69.89214	9.7
81.07055	19.6
86.09689	34.7
121.55621	9.5
125.00011	32.4
184.07333	100.0
371.31339	12.9
433.10049	13.5
533.36127	13.5
803.48309	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	5.3
60.08155	5.6
61.02922	7.5
62.40796	4.1
67.05496	24.1
68.69857	4.4
69.03430	7.8
69.07053	9.7
71.07358	6.1
73.02884	6.0
79.05489	7.3
79.63465	4.7
79.90154	4.9
81.03387	8.2
81.07044	21.5
81.75079	4.6
85.02905	12.5
86.09693	30.1
91.05494	9.3
91.71706	7.0
93.07033	8.7
95.08604	17.3
96.16025	5.7
97.02832	6.5
97.10143	8.9
101.84019	6.1
105.07008	8.1
107.08608	7.7
117.41514	5.8
125.00002	19.0
184.07341	71.7
185.04131	5.6
185.07895	5.9
245.10841	6.0
443.86002	6.7
468.10681	6.4
657.08185	7.0
803.49011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08122	8.1
67.05494	21.6
71.07372	7.5
81.07066	20.1
81.48008	8.4
85.02915	9.6
86.09700	41.4
91.05463	11.1
93.07032	10.8
104.13924	7.8
125.00008	32.1
140.82658	8.4
142.57475	7.1
148.96579	8.1
155.45808	8.2
160.46077	7.8
184.07317	100.0
410.64508	10.6
516.70154	9.3
673.47400	10.1
720.18494	9.8
768.86884	9.4
803.48840	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11167	7.2
60.08149	13.9
61.02897	9.1
62.80223	8.5
64.83485	7.3
67.05479	14.7
69.03410	8.4
75.30781	8.5
79.51000	9.7
81.07026	20.7
86.09717	52.4
86.10136	8.6
93.06986	10.4
95.08601	12.0
105.07021	9.8
121.10142	9.0
124.99962	21.4
184.07330	100.0
200.39256	8.8
243.96240	9.0
323.84326	12.0
548.94098	10.5
803.48840	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21500	0.9
60.08155	10.1
60.48170	1.0
63.23496	1.0
67.05499	2.9
67.15651	1.2
69.07055	1.2
71.07351	4.1
71.08632	1.0
75.01528	1.1
78.32167	1.1
79.05482	1.6
79.46178	1.0
80.81938	1.3
81.07035	3.5
84.47291	1.2
86.09698	47.4
87.28341	1.2
88.43602	1.2
93.07050	2.0
95.08573	1.7
98.98484	3.1
104.10745	3.5
105.72590	1.1
124.99998	23.5
154.94240	1.5
184.07338	100.0
185.07715	1.4
370.31119	1.4
465.09680	1.7
549.12720	1.5
804.52850	4.9
805.52881	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.9
60.07911	0.7
60.08154	9.6
62.31668	0.7
67.05481	1.8
71.07361	6.1
73.97616	0.6
75.44073	0.7
75.85867	0.6
77.04259	0.7
81.07032	1.0
86.09697	43.8
87.04511	0.7
88.41936	0.8
89.06071	1.0
98.98476	4.0
102.40412	0.8
104.10731	3.4
119.07655	0.8
124.99996	23.7
128.82289	0.8
128.91235	0.8
133.38377	0.8
135.57962	0.7
146.98143	0.9
157.62675	0.8
166.02493	0.9
184.07327	100.0
251.41530	0.8
556.02362	0.8
559.52728	0.9
804.53894	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	1.1
60.07529	0.6
60.07867	0.6
60.08158	9.9
71.07363	5.2
71.78100	0.6
86.09700	47.6
87.10064	0.6
87.53091	0.6
92.01259	0.5
98.98431	2.8
104.10744	3.6
113.09773	0.6
124.99998	24.2
155.69699	0.6
166.02666	1.0
184.07338	100.0
195.80116	0.6
210.25322	0.6
542.54602	0.9
690.78998	0.7
700.04089	0.8
733.32300	0.7
804.53827	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	1.2
60.08151	9.4
69.46970	0.9
71.07369	5.6
86.09692	43.6
98.98456	3.6
99.60538	0.9
104.10731	2.9
109.10146	1.4
117.03130	0.8
124.99997	18.4
126.81744	0.8
144.83649	0.9
148.51465	0.9
157.10013	1.0
166.02638	1.5
168.13019	1.0
184.07323	100.0
200.02235	1.1
257.66296	0.9
273.45316	1.0
282.79929	1.0
543.62274	1.0
804.53760	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	0.9
60.07898	1.0
60.08159	11.8
67.05444	0.7
71.07361	4.5
75.28233	0.7
86.09698	46.6
95.08598	1.2
98.98497	4.2
104.10751	4.0
124.99997	23.9
140.92084	0.8
184.07335	100.0
185.07632	1.2
190.37048	0.8
196.41124	0.8
246.17998	0.9
280.19485	0.9
543.81500	0.9
804.54071	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	1.0
57.60726	0.5
60.07862	0.6
60.08150	9.0
67.05474	0.7
71.07359	5.4
81.07005	0.4
82.55511	0.5
85.67625	0.4
86.09696	42.7
91.05451	0.8
98.98477	2.7
104.10739	2.9
119.08412	0.5
124.99998	23.2
149.76701	0.6
166.02686	1.3
166.51891	0.5
184.07329	100.0
210.79791	0.6
309.27081	0.5
359.10648	0.5
545.62793	0.6
804.55542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.1
60.08156	10.7
71.07362	5.1
86.09698	44.6
87.10037	0.8
93.07047	0.6
98.98447	3.6
104.10731	2.9
110.05956	0.6
125.00001	25.0
147.26035	0.7
184.07330	100.0
248.45006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	4.9
57.07052	18.1
57.64481	3.6
60.08154	7.3
66.83661	3.4
67.05497	34.0
69.03421	4.7
69.07072	10.0
70.44276	3.8
70.64051	3.9
71.07365	5.0
71.08623	27.2
73.02917	5.3
79.02560	3.5
79.05495	8.4
79.41612	3.7
81.03406	5.8
81.06689	3.3
81.07050	30.6
83.08603	11.2
85.10204	9.2
86.09705	41.6
87.10023	5.9
91.05482	7.3
91.71580	6.4
93.07050	10.0
95.08592	23.4
97.10167	5.3
98.98463	5.2
105.07046	5.4
107.08602	11.7
109.10154	7.4
115.25410	4.1
119.08554	7.8
121.10145	5.7
124.99977	29.9
126.47950	4.5
133.10144	5.2
184.07347	100.0
184.08931	6.6
185.07661	11.8
269.17447	16.2
313.27533	31.5
403.54828	5.8
507.40546	31.1
649.75262	5.3
802.55463	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83647	4.6
60.08145	9.8
60.92805	4.6
62.08422	4.5
64.60376	4.6
86.09695	51.9
87.24420	5.3
90.90567	5.8
118.44260	6.3
125.00006	23.1
184.07327	100.0
462.41632	8.2
487.32742	7.3
572.48962	8.0
805.48669	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61874	1.6
56.72950	1.8
57.03419	4.9
57.07050	2.5
59.95222	1.9
60.01149	2.2
61.02910	9.2
64.61684	2.1
67.05485	11.4
69.03417	8.1
69.07062	5.2
71.04978	4.0
71.08651	2.0
73.02913	7.2
73.96093	2.4
79.05490	4.1
79.28465	1.8
81.03392	4.7
81.07043	16.6
83.08626	3.3
85.02888	7.0
86.09690	6.0
91.03959	6.6
91.05476	4.6
93.07040	8.8
93.16513	2.8
95.04980	2.7
95.08620	10.5
97.02882	12.0
101.02394	4.4
114.46581	2.1
121.70520	2.1
125.00021	5.4
133.80428	2.4
150.34439	2.5
184.07278	14.9
195.23051	2.4
243.08586	3.5
247.07222	2.8
248.60454	2.7
309.24490	3.2
335.21893	4.5
451.16461	3.2
491.31729	2.7
493.27972	8.7
553.28925	5.3
805.50671	100.0
806.51703	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04512	2.5
69.03427	2.7
69.73412	1.3
72.92038	1.6
81.03382	3.0
84.04506	4.2
86.09727	2.1
96.04491	16.8
97.02882	6.8
98.06056	9.0
99.04438	2.2
109.02893	1.6
112.37464	1.8
118.44558	1.7
119.20494	1.6
126.05499	12.4
127.03927	1.9
128.14424	1.7
138.05492	100.0
144.06560	14.4
166.89885	1.8
168.06541	18.5
170.93431	2.2
186.06012	2.9
186.07578	22.5
186.82065	1.7
191.06499	2.2
201.50281	1.9
204.08740	3.1
262.51764	1.9
402.24780	7.2
684.14471	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
58.06606	0.5
60.07862	0.6
60.08153	9.4
67.05472	0.9
70.82973	0.4
71.07358	5.0
81.07021	0.5
86.09695	48.0
91.71630	0.8
93.07066	0.5
95.08589	0.5
96.50571	0.5
98.98453	3.2
104.10722	4.0
122.45395	0.4
124.99995	23.7
140.95767	0.4
166.02661	0.7
184.07327	100.0
185.07664	0.5
254.61415	0.4
258.63336	0.5
273.72498	0.5
510.79376	0.5
518.59076	0.4
650.43115	0.6
788.50311	0.8
806.51788	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70035	1.3
60.08163	7.6
67.05495	1.8
69.57108	1.4
71.07362	5.6
81.07050	2.1
86.09694	42.1
91.71650	1.9
93.07027	1.4
98.98461	4.6
104.10721	2.6
105.70804	1.3
124.99995	22.1
165.29922	1.4
166.02658	1.8
178.98102	1.4
184.07326	100.0
185.07747	2.1
370.03799	1.8
383.88016	1.8
806.53589	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.7
60.08154	8.4
67.05492	0.8
71.07367	4.6
77.89174	0.4
81.07055	0.6
86.09697	40.7
98.98455	3.1
104.10741	3.6
124.99995	23.1
157.25880	0.4
165.41019	0.5
184.07329	100.0
185.07658	1.0
196.12334	0.5
287.28201	0.6
451.38467	0.6
650.43219	1.6
750.30841	0.7
770.52887	1.1
788.52673	1.0
806.53705	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	0.6
59.53051	0.6
60.07908	0.7
60.08154	9.4
61.39451	0.6
71.07360	5.1
86.09696	43.8
98.98443	3.6
104.10770	3.8
124.99993	23.4
133.81934	0.7
175.17216	0.8
183.78909	0.7
184.07324	100.0
196.49190	0.7
386.66388	0.9
602.82141	0.9
636.43030	0.8
684.55444	1.1
806.55353	4.8
807.54425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85638	0.7
60.07891	0.9
60.08155	9.5
71.07369	4.4
86.09696	48.5
98.98444	3.0
104.10730	3.7
124.99996	24.7
125.00927	1.3
169.61282	1.0
184.07329	100.0
186.97050	0.9
249.12154	0.8
260.52264	1.0
283.01834	1.0
497.16776	1.1
674.40344	1.1
806.55273	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.8
57.91641	0.5
58.71563	0.5
60.07907	0.8
60.08159	8.9
71.07368	4.4
78.29460	0.6
80.04215	0.6
80.68863	0.5
81.07030	0.8
86.09698	46.2
98.98464	3.4
104.10744	4.1
124.99998	24.5
144.36087	0.6
156.28754	0.6
162.18819	0.7
184.07336	100.0
213.66969	0.6
267.51642	0.6
309.18222	0.6
334.37073	0.6
510.10635	0.6
544.52948	0.6
621.44763	0.7
651.88580	0.6
652.01306	0.6
806.55280	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.5
56.16492	0.4
58.06628	0.7
58.60601	0.4
60.08154	9.1
68.00582	0.4
71.07355	4.3
79.43430	0.4
81.07069	0.6
85.85558	0.5
86.09696	42.3
98.98439	3.7
104.10736	3.5
124.99995	20.9
165.57516	0.4
166.02603	1.1
184.07327	100.0
185.07741	1.3
213.30894	0.6
222.17250	0.4
227.50203	0.5
296.58713	0.5
382.93256	0.5
405.72238	0.5
445.83746	0.4
612.15790	0.5
636.43683	0.7
690.46814	1.0
770.52905	0.9
788.54553	0.9
806.54462	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05007	0.6
58.03748	0.5
60.07867	0.7
60.08159	10.5
67.05478	0.6
68.11246	0.5
68.89429	0.5
71.07364	4.5
86.09701	42.3
87.10033	0.6
91.71537	0.8
95.08634	0.5
98.98452	2.6
101.53005	0.5
104.10736	2.1
125.00005	23.4
166.02643	1.2
184.07339	100.0
185.07671	0.6
275.18622	0.6
430.30811	0.6
806.56055	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05011	0.9
56.34323	0.5
60.08157	9.9
63.28228	0.6
65.98140	0.5
67.05489	1.4
71.07367	4.9
81.07035	1.1
86.09699	46.8
93.07005	0.7
98.76998	0.7
98.98463	4.5
104.10722	3.7
124.99997	24.3
129.44545	0.7
146.98180	1.0
166.02583	1.8
184.07335	100.0
185.07611	1.5
214.52832	0.6
281.94241	0.9
343.78806	0.7
753.39307	0.9
806.54181	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	23.3
81.91644	7.0
115.44112	6.5
119.01952	8.4
127.48743	10.1
136.41025	7.8
142.03494	19.9
143.01949	13.5
157.03535	9.4
161.02951	12.1
165.05118	9.1
175.04448	11.0
184.04573	23.2
198.06129	15.8
250.12793	14.7
281.12210	9.2
311.13486	9.3
329.14575	23.2
346.62512	8.3
371.15488	100.0
415.15045	26.4
426.86627	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90429	1.3
60.08163	9.4
62.39159	1.5
67.05500	3.5
68.05056	1.8
68.06985	1.5
71.07360	4.1
86.09693	42.2
87.09972	1.6
91.70941	3.0
98.98475	2.4
104.10710	3.5
117.53274	1.8
125.00006	22.8
133.99104	1.8
140.04953	1.7
147.94614	1.9
184.07321	100.0
195.50494	1.8
245.15897	2.0
274.06158	2.2
385.71262	2.4
735.12787	2.4
808.56012	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.6
60.08157	10.8
71.07359	4.0
74.89031	0.5
86.09697	49.5
91.71042	1.3
98.98450	2.7
104.10727	2.5
105.25104	0.5
124.99992	25.7
161.91426	0.6
166.02637	1.1
184.07326	100.0
185.07637	1.3
209.65543	0.8
330.72357	0.7
348.81241	0.8
459.01691	0.8
650.43530	1.7
684.87280	0.8
790.55383	1.2
808.56641	2.1
829.55084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.6
60.08156	9.5
67.05469	0.6
71.07371	4.6
81.07065	0.5
86.09696	42.6
89.07724	0.5
98.98465	3.6
104.10745	4.0
105.29934	0.5
120.28759	0.4
124.99998	23.8
146.69690	0.5
166.02620	1.2
184.07329	100.0
185.07625	1.2
222.32922	0.5
236.21782	0.5
275.52087	0.5
441.71573	0.6
490.58829	0.5
498.20950	0.6
690.46753	1.8
772.54590	0.8
790.55444	0.8
808.56647	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	13.7
67.05473	14.0
69.20967	8.4
80.27686	10.2
80.64055	9.5
86.09684	21.0
91.71688	23.7
95.08611	19.3
97.02895	13.5
101.31143	10.2
125.00074	10.8
169.70134	10.8
178.29076	10.6
184.07382	28.1
238.59071	15.2
468.79880	12.0
525.52698	14.4
809.53491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	9.6
62.04244	2.7
66.49261	3.6
67.05487	11.8
69.07050	5.6
71.07347	6.3
79.05468	6.4
79.97894	3.3
81.07053	21.1
86.09699	50.7
91.05450	13.1
93.07041	8.5
95.08618	12.2
98.41959	3.4
105.07029	7.3
109.06529	7.0
111.04404	5.3
119.08573	7.5
124.99994	25.5
125.39365	3.7
133.10150	5.1
137.05983	55.1
147.11711	4.9
184.07338	100.0
203.17868	4.3
242.25861	3.8
277.18021	13.5
278.00525	4.3
295.19235	6.5
320.22009	5.9
321.70166	4.5
430.59915	4.0
637.44611	17.7
669.46735	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	6.5
58.39095	2.0
64.26577	2.2
64.94937	2.0
67.05512	11.1
71.07372	20.5
71.08635	5.3
78.00447	2.3
79.05508	4.4
81.07072	9.5
83.08623	3.1
86.09700	100.0
91.05494	3.1
93.07060	4.7
95.04980	2.7
95.08612	5.1
105.07051	5.3
109.10201	3.6
109.59589	2.6
123.01449	2.7
141.94894	2.7
146.98174	18.6
184.07439	7.3
186.83125	2.5
211.64920	3.3
236.15030	3.0
250.19051	2.9
286.99966	2.9
328.38348	3.0
536.49573	2.7
553.64368	3.0
627.45929	49.0
751.45117	74.0
752.45337	4.1
810.52405	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	8.0
60.48381	6.5
67.05489	23.2
67.07729	8.4
69.07024	11.4
69.57854	6.9
71.07373	13.9
80.42577	7.4
81.07037	19.3
81.29340	6.6
86.09703	100.0
93.07050	15.6
95.08594	17.9
104.46854	7.6
119.08555	8.6
121.41199	7.0
129.94572	8.4
146.98169	16.3
169.76160	7.4
184.07417	15.4
194.16173	8.2
248.77661	9.2
343.07013	9.5
344.77020	8.7
369.93204	8.7
465.20743	8.5
518.30237	8.4
627.45947	55.9
751.45026	65.5
788.37952	8.4
810.52454	33.9
825.41559	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89922	0.3
58.06606	0.4
60.08157	10.9
61.08471	0.4
66.76721	0.3
67.05489	0.9
71.07001	0.4
71.07363	5.1
72.07677	0.3
77.17295	0.4
78.45538	0.3
81.03407	0.5
81.07045	0.5
86.09698	46.4
87.10034	4.7
88.10355	0.4
89.57775	0.5
95.08587	0.5
98.98460	3.0
104.10732	3.6
124.99995	24.5
126.00331	1.1
127.00373	1.0
130.46521	0.4
140.01019	0.6
166.02614	1.8
184.07332	100.0
185.07698	11.2
186.07793	3.4
292.52075	0.4
548.94427	0.5
692.47186	0.8
747.51575	0.5
764.09814	0.5
774.55450	0.5
809.57037	0.7
810.53687	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20839	2.9
60.08150	10.7
60.29243	3.0
62.17847	2.9
63.73256	3.1
67.05495	4.5
71.07352	6.5
78.63990	3.6
81.24470	3.4
86.09696	51.2
95.53473	3.2
98.54299	3.5
100.47195	3.6
101.00847	3.6
104.10757	4.8
124.99992	22.0
184.07338	100.0
210.79900	4.0
215.15802	4.0
230.19768	5.0
682.59906	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	27.4
67.05493	9.9
71.08622	43.1
75.09418	8.0
81.07078	11.2
85.10162	24.5
85.78125	8.9
87.04457	44.5
89.06016	100.0
91.05494	8.9
94.26236	9.0
99.41386	9.9
110.65995	9.8
121.06516	17.7
125.98354	10.8
127.34487	9.9
130.08658	19.8
132.07758	9.6
133.08597	81.3
135.08061	13.3
147.08080	10.5
162.11452	10.7
175.44182	9.5
177.11195	24.5
184.07333	11.7
217.76210	10.7
236.71159	10.1
247.20570	19.1
280.36551	11.4
291.23105	24.7
299.37244	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.344
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37606	5.7
69.07066	9.7
71.72764	7.5
72.27322	7.4
80.38203	6.4
89.17389	7.2
90.64886	6.9
142.03439	8.5
145.78976	7.1
155.05608	7.3
174.11935	9.0
229.12804	18.0
252.14551	12.1
331.16083	29.8
372.18536	14.5
373.17035	100.0
417.16422	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88177	3.8
69.15633	5.2
69.66457	4.4
70.06592	65.1
73.51132	4.4
84.08133	81.5
86.09696	60.5
89.19772	5.7
89.75855	4.3
94.80482	4.9
98.60807	4.8
101.61838	5.2
107.73689	4.6
115.11094	4.8
119.00392	5.3
129.10243	100.0
147.71049	5.3
156.10225	9.2
183.14923	15.3
201.12364	37.5
203.93571	5.3
229.11783	16.6
242.18674	14.7
245.50525	5.9
268.16193	4.8
342.20059	7.1
589.16492	6.3
607.14636	6.2
812.48492	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	11.8
57.07074	17.0
57.38687	1.6
61.02907	7.7
67.05491	24.6
69.03400	3.7
69.07055	8.3
69.21841	1.6
71.04984	3.4
71.08615	17.5
73.02887	2.6
79.05465	2.4
79.40269	1.7
81.07050	13.8
83.08610	7.4
85.02885	6.0
85.10176	8.7
86.09698	6.0
91.03952	6.4
93.07048	4.3
95.08597	100.0
97.02888	4.5
97.06531	2.9
97.10149	2.7
109.10146	5.8
118.65744	2.0
123.11674	3.4
125.00066	2.7
141.09146	2.8
159.10184	8.4
184.07359	13.0
211.36636	2.1
215.12770	43.5
243.22313	2.0
263.19980	2.5
309.61026	2.2
313.27332	46.4
322.12646	2.5
453.35681	44.7
454.34924	3.0
521.65063	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	14.1
57.07061	19.3
59.04417	4.8
61.02905	11.4
67.05496	29.5
69.07053	16.6
71.08625	34.4
72.74239	4.9
79.05482	11.3
81.07050	23.7
83.08607	11.8
85.02890	11.7
86.09706	16.1
91.05466	13.8
91.92491	6.2
93.07041	22.7
95.08601	100.0
99.08125	7.4
102.70952	6.0
105.07007	5.7
107.08601	9.4
119.08588	9.3
121.10194	8.2
124.99996	10.9
146.49225	7.3
159.10165	9.4
172.72112	6.9
179.14319	12.7
184.07310	32.8
215.12752	48.2
253.14941	7.5
263.72879	7.9
277.21710	6.8
313.27350	35.5
339.21756	8.6
351.25287	9.6
453.35895	27.7
615.42816	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	8.6
67.05489	3.9
71.07361	8.4
79.05479	2.9
81.07056	5.6
81.39025	1.5
84.28919	1.7
86.09174	4.2
86.09695	63.2
86.10209	4.0
95.08633	2.5
98.98454	4.2
104.10732	3.4
108.33893	1.8
111.04477	1.7
115.39459	1.8
124.99995	22.9
127.94482	1.9
131.04102	2.1
137.05983	7.6
146.98186	2.9
171.82985	2.1
184.07330	100.0
250.00040	2.0
317.17291	3.4
629.43878	15.2
753.43317	16.9
812.52045	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51741	0.4
60.08156	9.9
60.70685	0.4
62.46262	0.5
67.05488	1.2
71.07359	4.3
76.50208	0.4
81.07043	0.9
86.09696	44.7
89.65280	0.5
93.07037	0.6
95.08597	0.8
98.11086	0.5
98.98450	2.9
102.69462	0.5
104.10739	3.6
124.86960	0.5
125.00000	21.9
129.06999	0.5
134.81931	0.5
150.61369	0.5
153.62450	0.5
166.02673	1.1
169.78752	0.5
184.07327	100.0
185.07625	1.0
334.85535	0.6
637.17798	0.6
756.27698	0.8
812.53870	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	8.1
67.05486	2.5
68.94398	0.8
69.07062	1.2
71.07360	5.0
77.88300	0.7
79.05491	1.0
81.07046	1.2
86.09700	42.7
91.71600	0.7
93.07032	1.1
95.08610	1.7
98.98460	2.8
104.10747	2.7
124.99997	23.0
166.02730	1.2
184.07336	100.0
303.19638	1.0
340.83826	1.0
424.30130	0.9
644.02161	0.9
776.52203	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77812	0.4
57.95724	0.4
60.07866	0.5
60.08154	9.0
67.05481	2.0
69.07060	0.5
71.06995	0.5
71.07362	5.2
71.08602	0.7
78.95413	0.4
79.05468	1.1
81.07041	1.8
86.09697	47.8
87.10037	0.6
90.22253	0.5
91.05457	0.8
93.07018	1.4
95.04967	0.5
95.08576	1.7
98.98466	2.9
99.08067	0.7
99.62637	0.4
101.87774	0.5
104.10738	4.0
105.06993	0.6
107.08585	0.6
108.29299	0.5
121.10155	0.6
124.99995	22.0
135.11626	0.5
166.02681	1.0
179.14236	0.9
184.07329	100.0
185.07686	0.8
207.71735	0.7
221.25079	0.6
222.68524	0.5
277.21658	0.7
451.80856	0.5
576.30011	0.6
616.61804	0.7
671.64008	0.6
750.29114	0.7
794.53168	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4907
Annotation	Glabrin C
Peak:m/z	Relative Intensity
59.69686	19.6
67.05505	39.1
69.08588	20.6
76.40819	20.3
80.15583	25.0
81.07050	27.0
86.89824	23.4
128.72668	27.4
141.50392	24.7
161.09920	25.1
184.07355	28.8
215.72620	29.0
265.67603	26.8
523.59235	34.4
537.34784	30.8
540.01068	28.2
813.48596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	50.9
59.22584	14.4
67.05509	68.6
68.25227	13.7
69.07074	19.5
70.36987	15.5
71.08643	56.5
81.07062	45.7
83.08621	28.3
85.22417	17.4
86.09727	25.5
95.08619	32.5
97.10184	34.5
119.08683	17.0
120.97977	15.9
125.09706	34.9
131.08711	17.1
176.15187	16.0
184.07437	28.3
189.67815	17.6
217.14449	62.5
227.97568	18.0
235.90565	19.6
313.27399	92.9
455.31763	20.6
455.37256	100.0
471.21533	18.6
638.66199	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07931	1.0
60.08155	9.8
67.05493	3.6
67.66777	1.2
71.07352	4.6
79.05466	1.4
81.07053	2.2
86.09693	43.6
91.05477	1.3
95.08552	1.7
95.22215	1.5
98.50471	1.3
98.98447	3.7
100.20724	1.4
103.18390	1.5
104.10715	2.8
105.06987	1.3
124.99985	22.2
164.01805	1.2
178.27037	1.2
184.07332	100.0
457.43301	1.7
620.15265	1.6
814.51996	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	9.6
61.85585	6.5
64.21205	5.8
67.05496	65.9
69.07059	23.2
76.65327	6.3
79.05492	23.6
81.07049	100.0
83.04994	12.3
83.08617	15.3
86.09702	30.0
91.05481	30.4
92.02258	5.9
93.07026	31.8
95.04974	10.5
95.08610	41.3
97.10172	18.1
105.07027	12.7
107.08616	14.4
109.06494	12.2
109.10177	14.6
111.08038	7.3
119.08600	17.0
121.06551	7.7
123.08057	9.4
123.11763	10.8
125.00002	13.8
125.09635	11.0
133.10152	10.0
135.11690	9.6
145.10138	10.4
147.11702	11.2
163.11172	9.4
184.07297	48.0
273.18640	10.2
291.19583	26.1
309.09961	6.6
309.24310	50.9
365.23227	13.6
583.52014	7.7
599.43066	11.3
605.05627	8.3
617.43768	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07479	1.6
59.81780	1.7
60.08167	9.6
67.05497	3.9
71.07342	3.7
75.07951	1.5
76.13661	1.8
81.07051	2.6
86.09699	43.7
91.05433	2.3
95.08657	2.0
98.98455	4.6
104.10732	3.4
124.99998	22.5
126.27574	2.0
141.68449	2.0
154.79039	1.8
184.07321	100.0
211.64026	1.9
213.98666	1.8
323.75613	2.1
381.32373	2.1
604.27240	2.5
755.19153	2.5
814.54578	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	9.0
65.58806	0.4
67.05491	1.2
69.07045	0.6
71.07363	4.3
73.40275	0.4
78.42381	0.4
79.05505	0.7
81.07043	1.1
86.09697	42.6
87.53779	0.4
91.05486	1.1
91.71626	1.0
93.07015	0.9
95.04955	0.7
95.08598	0.7
98.98438	3.5
100.30125	0.5
104.10759	2.7
105.07016	0.6
119.08556	0.5
124.99992	24.2
166.02670	1.7
184.07332	100.0
185.07671	1.2
235.24742	0.5
313.03912	0.4
330.96414	0.4
353.75293	0.5
354.22205	0.5
419.45697	0.5
468.52881	0.5
482.68539	0.6
682.86249	0.7
814.55725	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	9.6
61.90908	0.9
67.05516	1.8
67.67309	0.9
71.07368	5.0
73.97434	1.0
78.94817	1.0
79.62045	1.0
86.09696	40.3
91.05495	1.0
98.98479	2.6
104.10773	2.6
107.08755	0.9
125.00002	21.3
129.00645	1.0
163.25020	1.0
180.56395	1.1
184.07330	100.0
195.02914	1.0
199.19212	1.1
215.29677	1.1
225.89700	1.0
268.34927	1.2
611.82440	1.4
663.58435	1.1
755.16498	1.5
808.10583	1.4
814.55151	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	9.4
67.05476	0.9
71.07374	5.1
78.48505	0.7
81.82394	0.7
84.55685	0.7
84.62331	0.7
85.43395	0.7
86.09696	47.1
98.98453	2.9
104.10772	4.2
111.31994	0.8
119.11798	0.8
121.27320	0.8
124.99990	22.7
125.62508	0.8
134.79816	0.8
142.02721	0.8
166.02621	1.1
184.07326	100.0
225.65231	0.7
365.87457	0.8
705.67206	1.0
814.55273	2.6
832.16583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.7
60.08154	9.7
62.63715	0.6
67.05495	1.3
71.07365	6.2
78.53496	1.0
79.05489	0.8
81.07013	0.9
83.48365	0.7
86.09696	49.4
95.08591	1.0
98.98459	3.8
104.10739	3.9
124.99994	25.5
129.68213	0.8
155.61398	0.8
184.07330	100.0
214.91496	1.0
451.10294	1.0
457.50143	1.0
480.94656	0.9
522.20776	1.0
717.31964	1.1
814.55664	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83526	0.4
56.91106	0.4
58.06632	0.4
60.08157	10.2
62.99498	0.4
67.05473	1.6
67.05798	0.3
69.07070	0.5
71.07061	0.4
71.07365	4.9
71.08587	0.5
79.05486	1.0
81.07027	1.3
86.09697	45.1
91.00442	0.4
91.05472	1.0
93.07008	1.2
95.08588	0.9
97.05202	0.4
98.98472	3.3
104.10728	2.8
105.07040	0.6
107.08581	0.6
119.08598	0.6
124.99994	20.8
127.84512	0.4
154.30389	0.5
166.02641	1.1
184.07330	100.0
297.56088	0.5
395.68033	0.5
506.66422	0.5
547.90936	0.5
568.26434	0.5
778.53851	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	10.3
64.84523	1.2
67.05495	2.2
71.07355	5.8
81.07056	2.0
82.66653	1.4
86.09695	48.2
87.10052	1.4
91.05452	2.0
91.71642	2.7
93.07034	2.4
95.08600	2.0
95.82403	1.3
98.98474	2.9
99.82525	1.5
103.23617	1.3
104.10748	2.4
105.07007	2.3
113.00925	1.4
121.10122	1.3
124.99999	24.9
134.84308	1.5
184.07330	100.0
185.07721	1.8
259.32739	1.4
347.26096	1.7
816.53217	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	22.3
65.22979	14.5
66.79530	14.1
67.05496	100.0
69.07036	25.8
73.20060	12.5
73.58794	12.7
79.05483	60.0
81.07063	74.0
84.35619	14.9
86.09700	49.4
91.05466	75.4
93.07029	53.7
95.04989	17.7
95.08609	64.5
105.07026	58.6
107.08611	39.9
109.10122	18.1
110.59034	15.0
117.07043	25.6
119.08585	40.7
121.10085	22.4
124.99982	26.8
129.07008	14.9
131.08583	33.1
133.10101	25.5
135.11671	17.0
142.56195	14.6
145.10104	15.9
161.13309	23.5
171.49570	14.2
184.07326	88.7
275.75110	15.3
286.15179	15.8
333.24231	43.0
335.25702	37.2
360.02554	18.6
361.27191	28.7
451.04404	16.9
514.56927	17.3
637.73920	18.3
660.43140	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.561
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55232	11.2
67.05505	58.4
69.07076	17.9
79.05475	19.3
81.07072	41.7
86.09716	39.3
91.05482	23.2
93.07041	32.3
95.08636	16.4
100.78122	13.0
105.07024	17.0
107.08575	17.8
114.49648	14.4
117.07034	22.1
119.08624	17.2
121.10200	18.5
125.00050	32.1
144.85405	16.5
149.13370	18.0
159.11653	16.1
184.07344	100.0
233.53468	14.2
335.25665	68.9
405.36075	17.8
416.35638	17.0
549.33563	18.4
748.85889	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05201	2.2
60.08167	9.6
67.05493	2.7
67.66039	2.2
71.07369	5.1
86.09699	39.4
98.98478	4.0
104.10747	3.0
118.75939	2.0
125.00010	18.4
132.50717	2.4
145.17036	2.7
156.48839	2.3
158.48758	2.3
168.44078	2.6
184.07341	100.0
214.45708	2.1
217.40614	2.3
249.60353	3.0
279.63577	2.2
673.51819	2.9
737.82318	2.6
739.77490	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	8.7
67.32693	1.0
71.07361	4.9
81.07023	2.0
86.09699	43.4
91.05486	1.1
95.08582	1.2
98.98470	3.0
104.10763	2.8
105.07130	1.2
106.00670	1.0
124.99995	22.0
125.70631	1.0
138.14915	1.1
148.74629	1.1
151.00151	1.1
152.06567	1.1
171.37578	1.3
181.97517	1.4
184.07326	100.0
185.07646	2.4
222.01857	1.2
259.06308	1.4
553.23987	1.5
726.88599	1.4
807.77344	1.9
816.58350	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.6398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	45.5
71.08630	33.9
82.31426	14.5
84.88097	15.0
85.10181	22.5
86.09698	60.5
89.05547	14.5
89.06021	100.0
99.67312	13.1
105.91495	15.0
116.48280	14.3
118.13280	15.3
125.00013	29.9
130.08626	30.4
132.23666	15.5
133.08611	50.2
147.82368	17.0
177.11275	33.7
183.33073	14.8
184.07358	89.7
201.51068	13.5
239.78105	15.0
242.75652	17.9
295.02805	16.2
308.52847	17.0
416.10809	16.5
721.45190	16.6
756.68683	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	14.8
67.05488	24.1
69.03411	14.7
69.07058	9.3
71.08613	11.7
73.02908	10.6
73.09908	7.2
81.07064	18.6
85.02920	13.9
86.09678	16.2
91.03944	13.8
91.05462	15.0
91.71634	10.1
95.08599	20.5
97.02885	11.1
97.80284	9.0
103.76550	8.0
109.10146	11.6
118.14395	8.9
133.52647	8.5
184.07272	15.1
193.15068	8.9
239.24019	9.5
240.84837	9.8
290.39825	9.8
309.24362	14.5
354.05386	9.3
630.43842	9.5
632.40961	9.8
659.35895	12.8
817.46045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97296	21.5
67.05476	62.1
71.08605	30.8
71.14273	18.7
79.87139	20.1
85.07076	24.3
86.09673	29.0
88.11870	19.3
91.90118	21.5
94.33000	23.6
95.08575	30.5
98.98527	18.4
101.02345	23.5
120.72790	21.8
139.43352	27.8
170.27281	30.3
171.21681	24.8
184.07249	38.7
196.47334	20.9
201.16902	23.5
412.09360	28.4
535.04681	27.2
608.76257	30.9
655.10297	30.4
658.15308	31.5
817.46185	100.0
825.45813	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97296	21.5
67.05476	62.1
71.08605	30.8
71.14273	18.7
79.87139	20.1
85.07076	24.3
86.09673	29.0
88.11870	19.3
91.90118	21.5
94.33000	23.6
95.08575	30.5
98.98527	18.4
101.02345	23.5
120.72790	21.8
139.43352	27.8
170.27281	30.3
171.21681	24.8
184.07249	38.7
196.47334	20.9
201.16902	23.5
412.09360	28.4
535.04681	27.2
608.76257	30.9
655.10297	30.4
658.15308	31.5
817.46185	100.0
825.45813	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.6356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	1.4
58.06579	3.0
59.96168	0.8
60.08155	45.5
65.94698	1.1
74.02438	3.3
83.04940	2.2
86.09698	13.3
91.70992	2.1
112.07597	1.7
120.59232	1.3
130.08649	5.4
132.10207	4.5
186.14894	1.3
273.21698	100.0
287.23358	1.3
294.00262	1.2
327.68768	1.3
489.72903	1.4
545.42914	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	12.3
67.05496	100.0
69.07043	28.4
71.42073	8.5
74.42411	9.3
79.05482	27.9
81.07030	80.9
83.08620	19.8
86.09682	51.4
91.05484	30.3
93.07021	17.1
95.08601	39.3
96.46469	10.4
107.08617	12.1
109.10164	50.6
110.40331	9.4
119.08582	13.5
124.99995	24.7
133.10107	11.5
184.07346	96.0
229.14345	23.0
260.50626	13.5
300.86548	12.7
309.24203	60.6
351.25256	14.9
503.37399	25.1
542.61877	13.3
551.57898	13.6
585.45178	16.5
603.45282	14.9
628.57507	13.7
646.03021	13.4
775.15955	13.2
811.82086	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	19.7
57.07071	7.0
58.19078	3.7
58.41161	3.3
61.02911	7.1
61.70947	4.1
61.72746	3.3
67.05175	8.0
67.05496	100.0
68.97803	3.5
69.07075	24.7
69.88564	3.6
70.05014	3.6
75.83175	3.8
79.05482	48.3
81.07044	88.9
83.08599	15.5
84.33916	4.8
85.06530	5.5
86.09677	4.7
91.05470	64.3
93.07034	62.3
94.38597	4.5
95.04978	10.6
95.08596	66.2
97.06479	5.5
105.07024	42.3
107.08597	22.0
109.10141	23.9
117.07005	23.8
119.08564	37.8
121.10139	31.7
123.11746	6.5
127.00978	4.4
129.06976	10.7
131.08560	29.5
133.10078	24.7
135.08014	7.1
135.11687	14.6
143.08591	7.7
145.10149	14.3
147.11696	12.7
149.13283	9.5
157.10146	5.7
159.11713	11.6
161.11665	4.4
161.13228	5.8
171.11690	11.3
173.13184	8.0
175.14832	9.1
185.13307	9.3
187.14874	8.1
189.16336	7.7
201.16328	5.4
203.17955	14.1
206.85583	5.4
219.56961	4.6
254.81674	4.8
265.60229	4.9
269.22702	19.8
287.23621	12.7
335.25775	95.2
337.27438	18.8
361.27454	15.1
446.71484	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	16.5
57.07056	8.9
60.17664	3.6
61.02907	4.2
65.03947	4.8
67.05492	100.0
69.07058	28.3
71.08595	7.1
77.95877	4.0
79.05488	43.9
81.07043	92.4
83.08585	9.2
85.06507	4.1
91.05467	75.5
93.07037	79.1
95.04973	8.9
95.08595	68.8
97.06548	7.9
97.10121	4.8
105.07029	43.5
107.08578	38.1
109.10139	23.3
117.07012	15.2
119.08556	34.0
121.10138	36.9
122.20103	4.9
123.11718	9.9
129.05527	4.7
129.06943	7.0
131.08563	36.2
133.10118	23.7
135.11676	10.4
143.08606	8.9
145.10147	19.6
147.11670	10.5
149.13249	9.2
149.93733	4.9
159.11729	11.4
161.13304	12.3
163.14848	17.6
165.92787	5.3
171.11694	9.0
173.13422	6.3
175.14867	5.4
177.16440	6.7
184.07410	6.9
187.14873	6.2
189.16278	6.3
199.14940	6.1
203.17958	18.4
243.21054	11.0
245.83920	5.4
261.22061	9.8
269.22714	11.6
279.74536	5.7
287.23694	15.4
320.26584	5.8
335.25784	93.5
361.27304	26.9
651.30084	6.9
791.39154	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28475	16.6
65.91151	17.8
68.85930	15.1
69.38350	16.7
76.76864	17.7
106.24638	17.0
110.63946	16.8
123.54970	16.9
126.96779	17.9
150.11125	17.8
171.47615	18.9
236.54233	19.5
351.66656	20.4
402.33304	22.1
415.05453	20.3
448.14713	100.0
686.55573	22.9
756.40472	26.1
819.30084	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80733	10.8
67.41926	13.2
76.67109	15.6
78.32573	13.9
81.12050	15.7
84.94446	16.3
94.69922	17.2
99.94038	16.5
106.56573	19.8
133.43347	18.7
165.86642	17.4
219.74567	23.7
256.92151	21.4
279.02734	20.7
283.33020	20.4
448.15009	100.0
708.91565	20.2
819.29932	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27618	9.0
63.79218	9.3
64.72363	7.2
66.40944	8.5
69.82645	9.0
82.94511	9.5
89.60645	10.1
90.15591	9.6
137.21547	11.3
170.62280	10.0
186.05293	26.2
266.25702	9.4
414.87668	14.5
448.14694	100.0
564.63562	15.5
685.17627	12.7
819.31030	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07050	14.5
60.08151	11.8
67.05482	29.9
69.19314	9.6
72.03781	9.5
79.05462	15.0
81.07046	24.0
83.08566	10.0
86.09698	73.9
91.05452	16.6
91.71033	15.5
93.07012	27.5
95.04854	10.0
95.08578	12.1
103.61836	10.8
105.07047	13.3
125.00001	22.0
130.88582	11.3
184.07372	100.0
210.23738	13.1
733.96503	14.2
819.47156	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21384	11.1
64.42339	13.4
65.86195	12.2
67.05507	31.3
79.05503	18.1
80.49979	12.1
81.07053	27.4
86.09715	43.2
91.70992	23.3
97.02881	12.2
105.64738	11.3
116.25732	13.8
125.00028	20.6
127.55640	12.9
151.73512	11.2
167.49614	14.3
171.00073	18.3
184.07307	97.5
197.40289	17.1
262.67999	13.6
383.93002	15.3
389.37564	14.3
819.48517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21384	11.1
64.42339	13.4
65.86195	12.2
67.05507	31.3
79.05503	18.1
80.49979	12.1
81.07053	27.4
86.09715	43.2
91.70992	23.3
97.02881	12.2
105.64738	11.3
116.25732	13.8
125.00028	20.6
127.55640	12.9
151.73512	11.2
167.49614	14.3
171.00073	18.3
184.07307	97.5
197.40289	17.1
262.67999	13.6
383.93002	15.3
389.37564	14.3
819.48517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	9.7
60.28305	8.3
60.81630	7.9
67.05489	26.9
68.00330	8.6
69.03419	10.6
79.05490	12.8
81.07044	25.1
86.09678	50.1
89.63375	9.8
95.08576	11.5
124.99979	21.2
135.11748	11.4
173.14714	9.9
182.40125	9.8
184.07298	99.2
185.40923	8.9
213.42613	10.6
259.68423	10.3
309.24350	11.9
713.08923	10.4
819.48254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07049	1.6
60.08170	11.3
61.83608	1.4
65.74508	1.4
67.05482	3.2
71.07362	5.8
73.77617	1.1
76.92554	1.5
81.07044	4.4
86.09698	54.0
98.98454	3.6
104.10722	3.7
110.58739	1.2
120.16742	1.5
124.99986	23.1
152.08096	1.4
160.20102	1.4
166.02719	2.2
184.07336	100.0
186.17738	1.5
361.76779	1.6
380.09262	1.6
404.07550	1.8
460.09048	1.7
576.07587	1.7
636.64026	1.9
820.52435	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98642	0.5
60.08154	10.0
64.71021	0.5
67.05492	1.5
69.59886	0.5
69.94619	0.5
71.07369	5.8
79.05458	0.6
81.07047	1.4
84.14625	0.6
86.09697	45.9
89.93598	0.5
91.05479	0.7
95.08566	1.4
98.98434	3.3
100.69436	0.6
104.10719	2.9
121.24799	0.6
124.99994	24.3
132.02142	0.6
143.01051	0.7
166.02652	1.1
184.07330	100.0
185.07704	1.1
673.40442	0.7
761.47821	0.8
820.54645	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.4
57.07069	14.8
60.08165	16.3
67.05517	24.2
71.08652	14.9
79.05500	9.2
81.03418	15.6
81.07061	18.0
83.05011	8.4
84.52139	6.8
86.09698	47.9
91.05503	9.6
93.07055	7.5
95.05008	10.2
95.08621	24.0
97.10220	10.0
99.94680	7.1
107.08577	8.2
109.10203	9.1
119.08594	9.8
125.00041	27.1
184.07358	100.0
199.08992	9.1
211.13405	11.5
293.21301	12.3
313.27505	31.0
380.02002	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.4
57.07069	14.8
60.08165	16.3
67.05517	24.2
71.08652	14.9
79.05500	9.2
81.03418	15.6
81.07061	18.0
83.05011	8.4
84.52139	6.8
86.09698	47.9
91.05503	9.6
93.07055	7.5
95.05008	10.2
95.08621	24.0
97.10220	10.0
99.94680	7.1
107.08577	8.2
109.10203	9.1
119.08594	9.8
125.00041	27.1
184.07358	100.0
199.08992	9.1
211.13405	11.5
293.21301	12.3
313.27505	31.0
380.02002	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42479	1.5
60.08157	11.8
70.81010	1.8
71.07355	5.0
72.42294	1.4
72.83958	1.2
86.09697	46.4
86.87116	1.6
88.54462	1.8
89.15405	1.5
98.98481	2.5
104.10727	3.4
124.99997	23.7
128.21384	1.9
152.49521	1.8
160.84499	1.5
184.07327	100.0
185.07652	1.7
231.25253	1.8
246.34612	2.0
804.54260	2.7
822.54449	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	8.3
62.18967	0.8
62.71729	0.8
67.05466	2.0
69.07047	0.8
69.89507	0.8
70.47519	0.8
70.80492	1.0
71.07356	3.9
75.54828	0.8
76.42030	0.9
79.05495	1.1
86.09175	1.9
86.09698	39.2
93.07042	1.2
95.08578	1.3
98.98430	3.0
104.10738	2.8
105.56316	0.8
109.44390	0.9
110.76322	0.9
124.99998	25.7
125.19154	0.9
166.02747	1.1
184.07332	100.0
185.07684	1.7
221.77342	0.9
225.18690	1.0
247.05766	1.1
393.65167	1.0
497.91788	1.1
686.72955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	8.9
67.05504	1.5
71.07346	6.0
86.09695	45.4
98.98470	2.7
104.10727	3.9
124.99982	23.7
166.02490	1.5
171.75136	1.3
184.07321	100.0
185.07649	1.9
220.87402	1.4
455.69510	1.5
455.90729	1.5
491.85559	1.4
648.01910	1.8
674.89917	1.7
849.14960	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08142	9.0
60.38580	1.8
67.05489	3.0
71.07360	5.0
79.05499	3.6
81.07045	3.5
86.09695	38.7
89.29150	2.1
104.10713	5.5
105.07024	2.7
107.08553	4.1
121.39019	2.4
125.00006	17.2
184.07329	100.0
567.64368	3.0
717.63983	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	4.5
60.08154	11.0
62.80336	1.9
67.05493	10.1
69.07042	2.1
71.07375	5.2
71.08633	4.4
71.78279	1.8
72.63273	2.2
75.86663	1.9
76.11819	1.7
77.20448	1.9
81.07073	8.3
83.08627	3.5
86.09692	48.8
88.89123	1.8
89.82622	1.7
90.47737	1.8
90.61782	1.7
91.05478	2.2
93.07066	2.9
95.08635	7.5
100.81041	2.1
104.10765	3.8
105.07076	3.3
109.10169	5.8
124.51098	2.2
125.00006	24.5
126.93996	2.5
152.58031	1.9
184.07318	100.0
217.62877	2.1
230.63155	2.3
259.14145	2.2
263.23782	2.5
313.27405	8.1
423.43878	2.2
467.37451	3.2
507.40570	3.2
650.44714	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	9.9
57.07057	30.9
57.07285	5.2
60.08146	8.3
65.02654	6.5
65.11070	5.8
67.05501	54.6
68.18047	5.9
69.07049	16.5
69.14903	4.9
71.07357	6.7
71.08632	35.8
71.08962	5.9
79.05469	6.6
81.07057	48.6
83.04959	6.4
83.08596	19.5
85.10167	16.9
86.09693	47.7
91.05478	13.8
93.07042	22.9
95.08591	32.3
97.10133	6.0
107.08585	9.1
109.10143	30.6
121.10072	7.1
123.11684	6.7
125.00006	22.6
133.10155	6.8
184.07326	100.0
229.14301	15.7
242.07982	6.6
255.58937	6.9
269.17429	13.2
275.59927	7.4
313.27267	55.5
351.25290	10.2
409.33701	8.2
467.37408	12.9
502.39044	9.6
502.46588	7.5
507.40216	25.7
540.25128	7.7
574.76740	7.6
589.48108	15.9
607.49286	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81688	33.2
78.54533	39.0
114.99620	43.4
134.63837	41.9
168.05098	67.1
230.36407	45.6
258.06165	72.2
318.08487	58.4
396.11465	71.1
422.05484	46.1
423.09091	65.8
463.21371	50.6
464.10501	100.0
639.37653	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.292
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13561	1.9
61.69844	2.0
69.03423	4.3
73.85682	2.2
83.33678	2.3
84.96040	6.8
85.02901	9.2
85.28253	2.2
97.02890	2.9
97.99187	2.6
98.97581	30.3
103.01868	2.2
110.97579	3.5
112.99131	4.3
116.98627	21.6
125.98657	3.3
128.98610	6.3
131.00200	7.4
134.99651	6.1
138.09113	4.5
140.00197	30.3
146.99632	6.2
149.01198	5.6
154.01785	10.9
158.01215	12.5
158.99599	15.6
170.01321	4.1
172.02798	7.4
173.01228	11.0
177.00752	13.4
181.02908	12.7
182.01233	5.1
184.02815	3.5
189.00685	3.0
191.02200	4.5
193.02943	2.7
194.01360	3.8
195.04454	4.0
200.02290	29.3
201.08095	3.9
212.02335	5.2
214.03854	14.3
219.01830	7.4
222.08104	3.0
223.03954	4.0
225.08002	5.0
237.02858	12.7
242.03430	17.2
243.09065	3.4
260.04572	7.8
261.80780	2.9
266.10699	5.3
283.06064	8.2
284.11963	2.8
331.29791	2.9
331.76453	2.9
345.12152	43.8
346.18243	2.7
363.13129	4.8
386.14752	30.5
387.13196	100.0
405.14487	3.6
412.85455	2.9
428.15671	13.6
431.12268	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5168
Annotation	Diboviquinone-4,4
Peak:m/z	Relative Intensity
61.02908	9.7
62.52794	8.9
67.05486	20.6
69.03429	13.7
81.07056	11.8
85.02887	11.2
86.09690	33.1
87.85512	9.7
90.33302	8.7
114.12985	8.9
114.13777	9.9
120.51788	9.2
125.00014	17.6
125.35789	8.0
138.98138	10.8
184.07347	51.4
204.19427	10.3
261.52722	12.8
292.63812	10.4
292.97433	10.9
353.22998	11.9
741.48810	14.0
823.51721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	13.2
61.51231	6.2
64.18442	7.6
67.05485	18.6
69.03453	8.8
69.61101	6.8
73.02905	14.5
79.05478	11.0
81.07034	12.2
83.59727	8.2
85.02883	13.6
89.92654	7.1
91.05468	9.9
91.70904	9.4
95.00642	7.1
95.08585	9.5
97.02892	15.6
99.23785	7.4
101.01567	7.2
101.02285	8.0
105.07063	9.4
139.87350	8.1
206.14211	9.0
257.63715	9.4
281.09683	8.6
383.45264	10.2
563.42645	10.6
823.53302	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.9
62.73858	3.2
67.05486	14.8
69.03421	5.9
73.02919	6.5
77.40980	3.8
79.05502	8.1
81.07051	14.9
85.02872	9.2
91.03951	9.0
91.05478	12.1
93.07035	16.6
95.08614	8.1
97.02901	10.9
101.02354	4.5
105.07030	6.3
107.08604	5.0
119.57143	3.7
133.10155	3.9
151.82361	3.9
160.82567	3.6
164.66359	3.8
184.07428	6.8
207.05798	3.9
433.17953	5.2
519.29376	10.8
823.53381	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	11.8
61.02918	23.0
63.19171	8.1
64.77489	7.9
67.05500	72.1
69.03408	29.4
69.07069	15.6
71.04947	9.7
73.02907	15.4
79.05475	42.6
81.03422	11.7
81.07040	70.9
83.08606	16.6
85.02879	29.6
86.09703	53.3
91.05462	63.5
91.71086	12.9
93.07043	48.4
95.04984	16.7
95.08591	33.9
97.02851	17.6
97.06528	15.9
105.07031	38.6
107.08585	33.4
109.10180	11.0
117.06985	22.7
119.08582	32.0
121.10135	17.0
125.00002	19.8
129.05486	11.3
129.06995	25.9
131.08644	21.3
133.10135	21.1
141.06924	10.5
143.08611	18.3
145.10098	22.3
155.08604	17.2
169.10118	21.9
171.11731	14.3
181.10094	27.8
183.11676	13.1
184.07338	100.0
195.11676	16.6
199.14754	11.9
221.13260	10.2
253.19414	10.7
496.64972	10.5
537.95532	11.5
601.41089	10.5
606.19257	11.3
661.48413	60.4
663.53760	11.7
681.29449	12.8
823.51953	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	10.1
67.05509	3.1
70.40096	2.7
71.07369	7.1
71.24785	2.9
77.19545	2.7
80.80639	2.6
86.09698	48.0
95.08609	6.7
98.98499	4.6
104.10744	3.8
124.99976	22.5
184.07332	100.0
184.08893	6.0
240.09662	3.5
265.55862	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37443	9.5
62.84231	10.5
70.06595	14.1
83.04932	11.5
83.08609	28.8
84.08159	15.4
100.07578	23.3
100.11232	98.4
104.46181	11.1
111.04457	21.9
118.65964	12.3
128.07111	20.9
140.27591	11.8
140.51788	13.5
141.94560	13.0
182.15370	88.7
209.16534	24.4
210.14925	100.0
279.15826	14.1
344.97037	16.3
398.46857	15.7
421.77051	18.0
680.07324	16.7
807.56787	19.0
825.56403	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69644	4.6
61.01300	4.5
61.02913	12.1
63.81984	4.2
64.28629	4.4
67.05492	87.8
67.44136	3.9
69.07039	12.3
69.69161	4.6
71.08612	22.0
73.02904	5.2
76.35980	5.0
79.05485	4.6
81.07053	16.8
83.08630	11.8
85.02882	16.5
85.10175	14.5
86.09697	12.0
91.03942	7.5
91.05471	8.5
95.08591	29.3
97.02862	6.1
109.10152	87.8
115.54903	6.5
123.11680	7.3
127.03923	7.7
134.05135	5.9
144.34904	6.0
173.11751	19.6
184.07362	19.5
229.14316	100.0
313.27338	80.1
370.96802	6.3
388.87381	5.9
467.37241	55.0
597.22192	6.4
826.54401	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	4.1
60.08174	3.5
61.02906	8.4
67.05128	5.8
67.05492	100.0
67.61349	2.9
69.03423	4.7
69.07037	7.2
69.97455	3.2
71.04974	4.1
71.07357	4.5
71.08628	33.8
73.02911	6.4
79.05511	4.4
81.07054	32.3
83.08607	16.1
85.02889	16.8
85.10171	13.9
86.09686	17.9
86.19875	3.5
91.03944	10.8
91.05454	9.2
91.71677	6.6
93.07039	5.6
95.08613	23.8
97.02892	9.9
97.10180	8.5
109.10146	93.3
119.08571	8.3
123.11716	5.0
151.51537	3.3
155.10753	5.4
163.05910	4.8
168.46429	3.6
173.11761	15.6
184.07295	30.3
229.14331	88.2
229.16444	5.7
291.34042	4.6
291.97705	4.6
313.27301	82.0
408.22653	4.3
467.37289	96.5
503.37564	4.7
725.21112	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08137	8.4
63.23827	3.8
64.59827	4.1
67.05484	7.1
69.13485	4.0
69.62379	4.3
71.07368	19.1
74.96836	4.1
81.07048	13.9
81.63694	5.2
86.09698	90.9
91.05496	6.2
93.07043	8.0
107.08598	6.1
120.93333	4.5
124.99997	26.2
125.80077	5.5
136.10304	4.9
146.72580	4.8
146.98215	10.8
184.07321	100.0
248.40607	5.6
295.18677	4.9
643.45282	32.8
767.44574	31.4
826.51581	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5952
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76128	2.0
60.08144	7.1
63.07008	2.6
64.09134	2.5
71.07359	6.3
79.71117	4.0
86.09711	41.0
98.98434	4.8
104.10764	4.6
120.89577	2.8
124.99995	22.4
183.02637	2.8
184.07333	100.0
250.76360	2.5
500.99606	3.2
725.16077	3.0
808.60809	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
139.35432	32.2
203.86678	32.6
242.95805	27.3
249.69231	33.0
347.13589	66.7
388.16397	42.3
389.15002	100.0
407.16348	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	18.8
69.03374	13.1
71.08607	15.5
73.02936	11.3
79.05489	13.4
81.07026	31.1
85.02876	12.1
86.09675	35.3
91.05465	17.9
93.06976	16.2
95.08621	15.5
97.02869	13.6
98.08158	11.2
174.39473	11.6
184.07306	45.9
310.81311	12.4
349.68542	14.1
385.21176	13.3
827.55212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08139	13.3
61.11272	4.9
67.05501	5.8
69.07051	14.2
71.08626	9.3
74.00436	5.6
81.07043	7.5
83.08630	53.7
85.02899	11.9
85.10165	12.2
86.09699	43.9
91.05489	7.6
91.71065	9.2
95.08614	14.9
111.08103	16.3
111.22139	5.9
125.00034	18.5
164.75836	6.0
167.93484	6.0
175.09669	14.6
184.07315	100.0
213.11267	25.5
216.73015	6.0
223.13831	7.3
228.97716	7.5
231.12256	40.4
313.27380	43.2
384.10291	6.4
413.98151	6.8
469.35699	30.8
505.95142	7.2
590.04761	7.3
607.66669	8.1
683.55109	7.8
741.89502	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	12.5
60.51983	1.4
62.06197	1.4
71.07362	4.1
81.07021	2.4
84.92970	1.5
85.02892	2.4
86.09700	49.0
90.29488	1.4
93.75048	1.6
98.98459	4.0
104.10751	3.3
125.00002	24.5
156.75121	1.8
184.07326	100.0
309.89523	2.1
429.39108	2.1
606.81451	2.1
643.03033	2.2
827.54901	2.2
828.55035	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18884	8.0
59.38415	10.3
67.05495	46.1
71.07352	9.6
77.38869	8.5
79.05524	15.0
81.07050	28.5
86.09702	100.0
91.05502	22.2
95.08601	23.3
96.58569	10.6
98.08882	8.3
105.07030	12.8
107.08566	10.2
110.94028	8.9
119.08653	8.8
121.06509	20.5
146.98192	62.1
166.12401	10.5
184.07303	23.4
188.00671	10.7
572.51477	12.8
645.48138	41.2
769.47296	34.4
771.29663	13.5
828.54919	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	7.7
62.21653	1.7
66.73866	1.9
71.07350	4.3
77.35178	2.1
78.96678	2.3
86.09698	44.0
91.71670	3.0
98.98440	2.6
120.16746	2.1
124.99995	26.4
140.12743	2.5
145.98666	2.5
184.07327	100.0
184.08931	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	31.1
71.08616	17.4
81.07047	16.3
86.09698	38.0
93.07007	18.5
95.08586	19.4
104.16061	13.3
107.08582	14.1
112.05502	12.8
124.99950	24.9
145.07072	13.9
184.07324	98.2
240.08304	14.3
535.27972	19.7
594.05029	14.5
829.50708	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08139	10.2
61.64469	3.6
67.05492	14.4
68.56953	3.8
71.07355	14.7
81.07041	9.9
86.09690	100.0
87.22552	4.2
91.05477	5.9
93.06981	6.6
105.07014	4.4
109.10156	4.7
125.00024	16.7
146.98158	11.8
150.49792	4.2
184.07327	76.2
212.18727	4.7
223.36183	4.8
244.50087	4.9
271.02176	4.6
376.16486	5.2
647.48730	27.8
771.47772	32.6
830.55835	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	13.1
63.65149	2.7
67.05509	5.0
71.07366	6.6
76.53483	3.5
81.07089	4.3
86.09696	47.7
124.99981	27.1
141.61951	4.1
151.49077	3.4
184.07317	100.0
184.08914	5.9
228.04303	4.0
279.74667	3.9
372.54459	3.7
389.95853	4.0
478.68271	4.8
654.34747	4.1
693.43256	4.2
723.97559	4.0
830.54510	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	10.4
61.23057	0.9
64.92205	0.9
71.07362	5.6
76.89496	0.9
86.09694	45.9
98.98444	4.1
104.10733	1.9
107.34232	0.9
121.06516	2.7
122.06783	1.2
124.99992	24.7
166.02585	1.3
184.07326	100.0
185.07796	1.2
193.07658	1.1
264.18814	1.5
289.16873	1.0
350.79019	1.1
378.53278	1.2
621.14160	1.3
775.98828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06076	4.2
60.08151	12.3
61.02911	14.5
62.43035	4.7
67.05488	24.3
69.03416	12.7
71.07339	5.4
71.08620	9.3
73.02898	7.7
73.56505	5.1
76.08981	5.0
81.03416	11.7
81.07060	6.3
85.02898	22.7
86.09692	50.6
91.03954	13.2
91.05484	9.9
97.02888	21.1
101.02373	9.1
106.15897	5.8
107.08543	5.6
109.10141	11.8
125.00034	28.2
127.03885	7.2
131.08585	6.7
169.82086	6.4
184.07333	97.3
185.07671	6.8
185.93257	6.2
206.69975	6.4
242.35921	6.4
307.27344	6.5
352.48740	7.5
405.13937	8.7
470.71844	6.9
472.63528	6.4
476.67276	7.4
497.30814	12.5
659.35370	9.4
688.47565	7.1
728.71136	7.4
831.32880	9.1
831.46942	100.0
832.46521	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	14.9
81.07047	21.1
86.09697	44.0
91.05463	9.2
93.07041	11.6
95.08609	21.0
97.02926	8.7
107.08650	10.1
123.47536	7.3
124.22194	6.9
125.00022	25.4
139.24612	8.0
179.14339	8.0
184.07347	100.0
209.57031	8.9
214.94945	7.7
537.29535	11.6
763.21674	9.6
831.52325	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	9.0
63.06908	1.6
67.05490	4.4
69.03397	1.6
71.07368	3.6
78.13785	1.6
81.07054	3.2
86.09696	48.1
98.98502	4.3
104.10744	3.9
121.50886	2.0
124.99993	21.3
167.39694	1.9
184.07339	100.0
323.52863	2.4
832.55524	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	8.5
64.14716	1.0
67.05497	1.6
71.07344	3.6
81.07058	1.7
83.96931	1.1
86.09695	43.4
93.06993	1.1
96.49255	1.2
98.98460	2.9
104.10736	3.2
117.23829	1.1
124.99995	20.4
140.38579	1.2
184.07333	100.0
185.07655	1.6
235.21906	1.2
245.02138	1.2
368.14386	1.5
474.44235	1.3
833.45361	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08148	9.4
69.87910	1.1
71.07380	4.3
73.01453	1.0
76.61758	1.3
81.07067	1.9
85.49084	1.3
86.09697	46.7
86.10194	2.7
95.08595	1.6
98.98507	1.9
99.95223	1.6
104.10765	2.2
110.22350	1.8
124.99998	20.5
166.02571	1.5
184.07332	100.0
207.18742	1.4
244.68222	1.8
304.27032	1.8
335.37170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.537
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	7.4
67.05486	10.7
75.63542	5.3
81.07053	7.9
86.09682	46.8
93.07047	8.1
98.98462	6.8
124.99968	27.8
133.15231	5.6
184.07343	100.0
184.83327	6.1
185.07721	5.8
612.02869	7.1
833.53821	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.281
Annotation	UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine
Peak:m/z	Relative Intensity
60.04534	2.1
61.63324	1.0
69.03425	2.9
81.03429	3.7
83.84093	1.3
84.04506	6.5
86.31758	1.7
93.35081	1.2
96.04480	18.5
97.02879	9.7
98.06060	7.9
99.04523	1.5
109.02859	3.3
111.07349	1.2
126.05521	14.6
138.05502	100.0
139.05891	1.6
144.06551	15.5
149.61778	1.6
168.06575	20.8
184.07310	1.3
186.07632	23.4
186.09120	2.1
191.46463	1.6
197.34843	1.4
204.08737	5.0
405.01044	1.9
406.60269	1.5
413.87897	1.6
430.28119	6.6
521.29828	1.7
744.92859	1.5
776.15253	1.7
777.39124	1.5
796.25665	1.8
821.91852	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	9.0
67.05488	2.5
71.07350	3.4
81.07059	0.9
86.09692	43.6
91.05464	1.0
95.08589	1.6
98.98444	3.7
104.10735	3.9
109.10231	1.1
117.37181	1.1
124.99143	1.8
125.00000	24.1
125.00933	1.3
146.25896	1.0
153.15097	1.0
166.02686	1.1
184.07330	100.0
242.49141	1.0
676.45825	1.6
706.97192	1.4
816.56805	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66096	4.6
60.08147	11.3
60.54358	4.4
63.76443	4.5
67.05492	19.5
67.60551	4.1
68.57877	4.3
69.07064	5.9
71.07352	14.3
77.71210	4.8
79.05475	5.3
79.79054	4.5
81.07037	17.3
81.61153	5.1
83.08640	4.9
86.09704	89.4
91.05493	8.9
93.07032	11.4
95.04972	8.2
95.08598	16.2
96.50690	5.0
105.07076	6.8
107.08546	5.3
109.10141	5.7
119.08611	9.4
125.00016	17.9
146.98181	6.7
159.06976	5.7
184.07333	100.0
379.79547	8.6
445.95563	5.9
457.50787	6.2
526.01654	6.0
653.47510	30.5
777.45715	11.2
836.54047	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	8.9
67.05515	2.8
71.07358	5.7
72.24532	1.2
72.34718	1.2
80.04745	1.2
81.06998	2.2
84.68850	1.3
86.09697	42.4
95.08603	2.4
98.98461	4.2
104.10757	3.0
119.08615	2.3
124.99992	22.1
125.00836	2.2
142.02704	1.4
149.98518	1.5
164.31670	1.6
178.40656	1.5
184.07330	100.0
185.07813	1.8
196.49954	1.4
230.95984	1.6
312.94540	1.8
683.49487	1.7
818.52856	3.4
829.34595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	8.9
67.05515	2.8
71.07358	5.7
72.24532	1.2
72.34718	1.2
80.04745	1.2
81.06998	2.2
84.68850	1.3
86.09697	42.4
95.08603	2.4
98.98461	4.2
104.10757	3.0
119.08615	2.3
124.99992	22.1
125.00836	2.2
142.02704	1.4
149.98518	1.5
164.31670	1.6
178.40656	1.5
184.07330	100.0
185.07813	1.8
196.49954	1.4
230.95984	1.6
312.94540	1.8
683.49487	1.7
818.52856	3.4
829.34595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33692	12.5
81.78008	15.2
82.55808	13.7
85.41130	14.8
89.10695	15.0
91.70935	14.3
98.97595	21.1
103.77354	15.3
140.00183	26.7
140.67882	16.5
181.02812	18.6
200.54779	18.6
213.58276	18.9
300.98294	18.9
339.07474	100.0
357.08405	34.5
380.10138	25.1
381.08487	64.2
428.58600	20.6
456.01117	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24217	16.5
70.30112	18.9
81.36237	16.3
91.71075	28.0
115.09373	22.1
131.00809	100.0
149.01875	83.2
151.95970	21.4
217.04550	55.6
235.05498	25.0
268.95596	21.6
303.07803	23.7
316.12033	20.3
323.86679	22.4
439.11874	23.0
493.16388	24.1
514.51770	22.5
591.66797	28.2
722.48285	22.8
732.76215	25.2
753.72699	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	6.8
62.89854	1.9
67.05483	7.6
69.07045	4.1
71.07359	3.7
71.08616	5.7
79.05480	6.7
81.07044	7.1
83.08591	5.2
85.10168	3.6
86.09699	46.8
91.05507	2.6
93.07030	6.0
95.04974	3.8
95.08611	10.6
98.98432	3.0
104.10748	2.8
105.07053	2.6
118.76529	2.1
121.10162	3.5
124.99982	22.0
133.64218	2.2
184.07330	100.0
185.07741	3.2
201.38295	2.1
215.12730	3.9
241.14363	6.8
290.44135	3.2
313.27328	4.3
335.76791	2.6
354.60443	2.7
479.37228	15.2
572.82678	2.7
713.56830	3.1
856.61926	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53054	1.1
60.08152	9.6
61.48383	1.2
66.13394	1.4
67.05511	6.2
69.07076	3.5
71.07381	6.8
73.20749	1.8
79.05501	3.3
81.07062	5.1
83.08617	1.9
86.09697	53.4
91.05494	4.4
93.07087	4.0
95.08625	6.2
97.10202	1.7
98.98476	4.0
104.10773	3.4
106.88558	1.7
119.08590	2.4
125.00000	25.5
164.59190	1.5
184.07324	100.0
236.92921	1.8
428.80997	2.2
655.48840	3.7
779.48297	2.5
838.54211	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	8.3
71.07396	5.0
72.84453	1.7
74.92735	1.5
86.09701	41.8
86.10204	2.5
88.71107	1.9
98.98500	2.4
103.07224	1.8
104.10780	1.8
125.00001	19.9
125.00833	2.1
184.07347	100.0
289.62213	1.8
296.91699	2.0
395.63858	2.2
452.26834	2.4
687.01770	2.2
802.53558	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45718	21.8
79.91386	22.3
82.50983	23.6
88.92381	20.8
98.97588	55.4
116.98653	37.2
134.99629	29.2
140.00183	76.4
180.19566	28.7
181.02855	36.7
236.51173	29.3
237.02765	32.6
242.03406	50.7
269.03055	28.7
283.05991	29.0
353.05417	56.8
394.08121	100.0
436.09320	57.7
552.80457	40.2
578.00793	32.3
690.97876	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
72.66364	15.3
74.58289	17.6
90.44424	20.6
96.31631	17.8
98.60497	17.6
118.49445	16.8
135.57721	19.1
152.96588	24.8
193.14586	20.1
246.89091	19.2
341.54181	23.2
426.49722	26.6
474.95294	21.2
839.50604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99159	10.7
65.52074	10.2
67.88789	9.4
79.17772	9.7
96.83794	11.5
105.92538	9.3
108.03906	9.2
154.51372	10.4
185.98825	9.6
187.90103	9.4
203.27396	12.8
301.19180	13.0
348.96216	13.3
826.72699	13.9
839.50427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08124	16.5
61.40297	15.2
63.99245	16.2
65.05818	16.0
67.05496	52.9
71.08606	74.3
72.88661	19.9
79.05486	41.8
81.07030	70.4
86.09688	39.1
91.05470	100.0
93.07024	51.7
95.08566	21.4
97.64805	19.6
99.08103	53.1
103.05494	19.8
105.07018	42.8
117.07001	65.1
119.08589	53.0
125.00005	22.7
131.08540	52.2
142.38272	18.6
145.10152	25.4
151.11191	32.9
184.07227	95.6
201.16359	20.5
242.11903	21.7
267.21243	32.9
279.35495	22.4
302.05850	22.0
332.82236	21.5
375.25369	24.6
526.80707	24.9
741.79700	22.7
785.37054	22.3
808.02380	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64608	2.4
60.08143	7.3
67.33854	2.2
70.48771	2.6
71.07357	5.4
84.27232	2.3
86.09696	48.6
92.26531	2.4
104.10695	4.2
124.99989	22.9
144.68573	3.0
155.25844	3.3
184.07335	100.0
279.17947	2.7
308.51303	2.9
334.81784	3.6
532.87964	3.8
613.92291	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5741
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	9.7
71.07362	3.6
74.04172	1.4
81.07046	2.1
86.09697	44.8
90.54991	1.3
95.93018	1.3
98.98444	3.2
104.10745	3.3
108.94258	1.4
116.58015	1.4
119.08687	1.4
124.99985	21.2
165.05948	1.6
184.07327	100.0
205.68475	1.5
282.42828	1.6
361.07773	1.6
397.13712	1.7
485.04910	1.6
840.57098	4.0
860.81799	1.8
862.52155	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	8.9
60.94251	1.2
64.66574	1.3
67.05509	2.3
70.77055	1.3
71.07380	3.1
72.92309	1.7
79.85412	1.4
81.07069	1.6
86.09701	38.4
86.10204	2.4
98.96272	1.4
98.98495	1.8
104.10780	4.2
124.99990	24.4
126.18294	1.7
151.17125	1.6
184.07330	100.0
197.36401	1.8
217.57404	1.6
331.98444	1.8
756.12402	2.6
768.73785	2.2
840.57397	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	12.1
62.09898	1.9
67.05492	27.7
69.03434	9.9
69.07047	12.9
71.08620	31.0
73.02948	2.6
79.05479	5.7
81.07047	26.1
83.05004	3.4
83.08604	38.9
83.09045	2.7
85.02898	15.8
85.10172	18.6
86.09679	2.2
87.83963	2.3
91.03957	8.1
93.07051	7.6
93.53839	1.9
95.08598	19.1
97.02901	9.0
97.10157	73.0
107.08587	24.2
109.10155	13.0
111.08083	2.5
119.22836	2.0
119.91001	2.5
123.11672	4.5
125.09618	69.0
125.10471	3.8
127.03928	2.9
135.08061	8.2
135.68484	2.4
143.10664	2.7
145.05023	4.7
153.09103	3.6
160.67029	2.3
169.00858	2.2
171.10201	6.1
189.11206	35.6
227.12764	80.0
245.13814	83.2
275.03964	2.2
287.88037	2.8
313.23584	4.6
313.27316	100.0
314.27563	2.7
483.36758	90.5
613.55219	2.6
637.07397	2.9
642.91370	2.9
683.54993	2.8
768.82330	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29031	8.3
67.05489	32.3
69.07043	14.3
71.08619	18.3
71.31779	8.1
77.08559	9.6
79.05481	10.2
80.19645	8.4
81.07039	32.1
81.68279	10.4
83.08623	25.6
85.02934	14.0
86.09695	42.1
86.30918	11.9
91.05493	10.8
93.07039	18.9
95.08591	12.7
97.10178	36.2
105.07044	14.1
107.08591	22.4
109.10170	13.4
119.08610	11.8
122.89737	11.2
124.37222	11.4
125.00025	13.8
125.09627	45.7
146.85135	10.9
149.13304	11.4
173.41850	10.8
184.07343	100.0
189.11256	25.3
227.12804	72.0
240.15076	11.3
245.13754	72.6
313.27399	51.7
423.67834	11.8
483.36813	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08148	9.0
67.05487	6.8
71.07365	4.7
79.05501	3.1
81.07030	4.7
86.09697	56.6
93.07018	4.2
95.08616	4.8
98.98482	4.8
104.10702	5.1
125.00022	24.8
135.11801	3.7
137.54907	3.1
150.87135	3.5
158.90691	3.5
184.07332	100.0
326.99072	3.7
446.82181	3.8
450.73575	3.5
459.50504	4.0
842.52649	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19173	3.0
60.08144	12.1
66.96905	3.2
67.05494	7.7
70.69166	3.3
71.07355	5.0
73.75800	3.1
74.64290	3.9
78.87254	3.7
81.07044	3.8
86.09701	51.6
95.08607	5.4
98.98502	3.5
124.99947	24.6
184.07338	100.0
188.23868	3.7
232.78897	4.0
716.81885	4.9
842.54376	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	84.1
69.07037	10.1
69.19641	9.3
69.44897	12.3
70.62476	8.3
75.53180	13.1
79.05484	44.1
81.07050	50.7
83.08662	11.6
86.09709	35.0
91.05482	100.0
91.71099	16.7
93.07043	57.6
95.08596	44.0
105.07041	34.5
107.08612	23.5
109.10155	15.9
111.15222	9.9
117.07050	37.4
119.08599	43.5
121.10151	13.5
129.05498	13.1
129.07016	19.1
131.08554	34.6
133.10110	31.8
135.11719	14.5
142.07735	12.4
145.10159	27.1
156.56300	12.6
157.10114	13.2
159.11722	19.4
184.07373	43.4
201.16586	15.6
321.12646	13.0
351.82294	14.8
359.25781	40.9
361.27374	37.1
756.18024	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.59
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	7.8
61.45314	3.4
67.05489	4.8
67.05850	3.0
71.04998	3.7
71.07344	6.7
81.07063	4.2
86.09700	48.5
86.46733	3.2
86.97113	3.2
105.82713	3.3
124.99999	23.9
127.08501	3.1
131.12065	4.0
184.07317	100.0
282.96103	4.2
300.79190	3.8
326.58139	5.3
761.56085	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	11.9
71.07365	7.0
81.07059	1.9
86.09698	45.9
98.98483	4.3
104.10724	3.3
119.58328	1.8
124.99997	21.7
146.81236	2.0
173.29097	2.0
184.07336	100.0
215.36473	1.9
235.23177	2.0
337.51352	2.0
540.68109	2.1
842.56854	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.591
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	8.5
61.80073	1.9
62.92981	1.9
67.05474	4.6
71.07359	6.0
78.85515	1.8
79.92813	2.0
81.07043	6.2
86.09700	40.0
98.98463	4.3
104.10737	3.0
124.99992	23.2
149.51575	2.7
165.04976	2.3
184.07318	100.0
184.81255	2.2
199.58116	2.3
264.86737	2.4
269.94672	2.7
275.36063	2.6
276.24677	3.3
412.57117	2.6
551.06329	3.0
626.89844	2.4
648.57294	2.7
806.55969	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03920	12.8
61.62785	15.2
69.03415	76.3
71.04984	25.4
81.03400	96.2
81.07028	20.7
84.76374	13.0
85.02895	100.0
87.00798	20.3
95.08595	29.2
97.02887	54.6
98.31842	16.1
107.08588	26.5
109.02895	60.1
117.34896	15.8
121.10245	18.0
127.03917	63.0
145.04979	26.2
227.97144	16.4
231.04965	19.4
252.91771	20.4
275.93454	33.7
586.43054	20.0
843.37250	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	21.0
71.93828	13.7
72.99799	11.8
79.04285	12.4
81.03411	30.1
85.02895	38.8
91.71021	29.0
93.06998	15.8
93.19257	13.5
94.72038	15.3
94.73037	13.5
95.08619	15.4
97.02896	21.3
98.47672	16.7
109.02882	23.2
119.90526	14.1
127.03943	26.0
138.05513	24.7
138.89650	16.0
172.95232	33.4
195.96855	23.8
218.98419	15.7
252.55345	16.9
252.91685	71.4
257.92285	33.9
270.93130	17.3
271.14450	14.4
275.93408	97.4
298.94934	77.0
442.95761	27.6
460.96820	29.6
478.48361	19.8
483.98392	100.0
628.02081	19.8
631.83728	19.5
716.67297	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
62.26085	8.5
68.23272	6.4
71.08012	6.4
75.56261	6.4
75.66312	6.9
75.97345	7.7
82.85640	7.5
113.22042	7.5
189.10075	8.7
202.07364	15.4
217.09914	10.2
257.09171	14.0
261.08667	100.0
285.08612	20.0
313.08182	13.6
331.09427	11.1
406.17639	30.5
471.82626	9.4
480.17566	40.7
753.29077	10.2
826.29205	28.3
847.18622	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	31.9
69.03418	63.3
76.61852	23.1
81.03392	85.7
85.02884	100.0
87.00800	25.0
93.07003	25.1
95.08588	36.5
97.02883	34.9
107.08603	26.2
109.02855	54.6
114.33833	24.2
119.08548	29.0
127.03892	64.1
142.34714	23.5
145.05080	26.1
184.81558	30.3
301.41132	27.2
316.31259	26.6
561.30328	32.9
567.56775	29.4
779.34760	28.4
818.37610	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	7.9
60.21299	1.7
63.95692	1.9
66.83881	1.8
70.75034	1.8
71.07362	3.0
79.05480	1.7
86.09695	47.3
98.98481	3.3
104.10703	4.2
124.99988	19.0
139.11020	2.3
141.63780	2.2
184.07324	100.0
185.07549	3.0
238.41721	2.3
255.74692	2.5
256.15106	2.4
628.86621	3.0
649.40778	2.9
680.82715	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31746	12.1
67.05497	17.9
79.05474	13.0
81.07047	16.5
82.74262	13.3
83.08630	11.6
86.09724	59.3
91.05524	20.1
93.07018	15.7
95.04154	12.7
95.08653	17.0
102.46403	11.3
104.26166	11.8
107.08609	15.7
107.09315	11.2
111.25791	9.8
115.26340	12.2
119.08539	14.5
125.00004	33.5
126.35954	10.9
128.97556	11.9
148.21198	12.7
184.07314	100.0
185.07619	17.4
216.64697	15.7
251.34341	13.1
311.22922	14.5
337.45352	12.9
403.04617	14.1
403.10001	13.2
506.95105	12.7
604.23053	14.6
628.42047	12.8
845.49963	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	40.0
69.96225	9.9
75.95786	10.5
81.07038	18.9
83.04972	11.1
85.02914	12.9
86.09703	61.8
91.05436	14.1
92.72583	8.8
93.07029	14.6
95.08597	12.5
97.10136	10.1
105.06980	13.1
107.08572	11.0
124.99960	29.1
130.24440	11.6
150.59795	10.8
184.07362	100.0
185.07687	15.1
344.29800	14.3
440.13339	12.0
531.32257	12.0
845.50031	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82312	3.8
61.02925	8.2
65.86110	4.3
67.05486	7.9
69.03418	10.6
81.07041	9.1
85.02927	12.2
86.09705	9.5
91.03941	10.3
97.02887	15.2
127.03931	6.5
184.07307	12.8
193.88251	5.6
267.95593	6.0
275.07040	5.6
383.19406	6.3
384.23523	5.9
405.13785	10.2
429.17206	8.2
497.30670	10.2
659.35907	8.1
756.26898	9.6
847.46490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	10.1
60.75886	6.5
65.32084	7.7
65.59953	7.4
67.05514	13.9
80.76347	7.0
81.07095	12.7
86.09698	49.9
91.71068	10.9
93.07015	9.0
95.08543	11.1
101.92249	6.9
104.63027	9.4
105.07085	10.0
107.08649	8.8
125.00019	11.9
184.07301	100.0
185.07654	15.3
224.83859	9.2
239.23561	8.2
242.17670	9.5
284.29800	9.5
348.37332	8.8
355.18457	8.8
680.53619	11.6
840.93500	10.4
847.51984	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86810	16.9
73.02920	18.4
81.55494	19.8
129.89024	20.6
133.30785	29.9
152.96890	20.3
169.57700	21.9
170.08934	27.8
275.88641	23.5
364.54474	24.5
377.99915	22.8
398.74786	24.6
508.36279	25.6
582.90643	28.5
847.53357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26030	17.3
70.44170	16.6
75.52623	19.1
79.52283	16.3
83.16273	19.1
86.26991	21.2
112.67516	18.0
124.82320	20.5
175.04385	19.1
198.62776	17.7
255.38690	21.7
512.50659	22.3
657.97504	22.8
688.66577	21.0
777.84692	23.6
847.55377	100.0
851.89984	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08141	8.7
64.58968	2.1
67.05492	5.5
69.07059	2.8
69.31380	2.2
71.07358	3.7
72.10685	1.7
81.03432	2.1
81.07034	4.1
83.08628	2.4
86.09703	34.8
89.06023	4.7
89.87103	2.2
91.05475	2.1
93.07053	2.1
93.79892	1.7
95.08620	2.9
98.98445	2.1
104.10748	2.2
109.10106	3.4
124.46551	1.9
124.99989	19.0
148.21930	1.9
184.07338	100.0
285.51501	2.0
288.45935	2.5
307.64758	2.6
472.41226	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20708	12.1
67.05495	43.1
81.07032	43.9
85.75200	18.0
86.09692	54.4
91.03926	15.9
91.05441	18.6
93.07028	26.6
125.00007	34.4
135.09154	15.0
184.07266	100.0
195.15840	16.7
197.11221	15.4
208.99268	15.0
224.87886	16.0
276.44672	15.8
396.25858	17.8
436.92728	18.3
534.17963	17.4
664.98022	20.0
849.53088	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	4.4
65.03943	5.8
70.06574	33.7
80.44289	6.7
85.29321	5.2
86.09679	14.8
88.07626	40.4
102.09160	24.3
149.02348	100.0
149.03444	8.3
184.07350	33.0
193.04913	35.8
207.13460	6.4
219.06451	6.8
220.18178	6.4
237.07721	10.5
256.26343	53.1
294.86517	7.6
319.83383	8.6
393.37686	7.6
435.38818	7.4
491.29810	7.7
679.45117	7.4
687.73737	7.1
751.80865	8.3
850.40057	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16919	7.3
66.65559	7.3
67.05489	52.6
67.14328	9.0
69.07046	24.8
71.07355	10.4
71.08612	39.6
76.70148	10.1
79.05479	29.9
81.07047	63.5
83.04969	30.5
83.08600	14.6
85.10174	23.6
86.09685	35.9
91.05472	19.9
93.07042	54.2
95.05001	11.2
95.08610	43.1
95.13754	8.9
97.06550	11.2
97.10166	10.8
107.08609	30.1
109.10169	15.2
110.65740	9.2
119.47800	9.5
120.65375	8.7
121.10155	13.6
124.99991	16.5
135.11671	46.8
163.11241	12.3
181.12184	11.7
184.07294	75.4
226.84949	9.8
242.34006	9.6
255.15865	74.4
313.27347	98.4
433.89410	11.1
493.38824	100.0
815.13531	13.9
861.30505	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08151	9.9
60.99166	0.9
67.05486	3.0
69.60120	0.9
71.07352	6.6
75.62574	0.9
76.85537	1.0
81.07030	2.1
86.09695	48.0
91.71627	1.3
93.07041	2.0
98.98460	3.9
104.10738	3.2
109.10111	1.0
121.10098	1.1
124.99988	21.6
152.50529	1.2
165.05965	1.0
165.81413	1.0
166.02692	1.2
167.92615	1.0
184.07323	100.0
185.07658	1.3
194.30176	1.2
302.64420	1.3
504.79071	1.3
799.34247	1.5
852.53711	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	12.1
67.05498	5.8
71.07346	6.0
79.20373	2.8
81.07048	3.8
86.09705	41.4
87.10020	5.3
91.05499	4.8
91.71020	5.8
93.01634	2.5
93.07043	4.5
95.08575	3.0
98.98450	3.9
99.08064	3.7
104.10706	4.1
107.08595	3.2
123.08156	3.3
125.00006	24.9
127.69067	2.9
184.07343	100.0
185.07689	11.5
196.73152	3.0
206.23799	2.9
240.95744	2.9
853.51685	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74283	7.8
64.82982	8.3
67.05494	30.7
71.08635	8.2
79.05494	10.4
81.03430	10.3
81.07047	26.9
82.43604	10.3
85.19978	11.3
86.09689	37.7
87.83082	8.8
91.05492	10.8
93.07011	17.5
95.08595	25.8
107.08582	11.6
112.36753	10.7
112.74770	9.4
118.62203	9.0
119.08618	12.2
124.99998	15.2
170.54326	9.5
184.07320	68.1
187.56310	11.9
229.60002	11.2
419.64929	13.4
470.76944	11.8
535.28589	12.3
855.52179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	23.3
81.07057	30.2
86.09678	32.3
91.05466	22.2
91.70993	33.3
128.65370	15.7
130.08902	16.1
142.41646	17.2
184.07295	40.0
209.45479	18.1
335.22018	16.9
377.01047	17.5
388.37643	20.7
429.74994	20.0
766.28394	20.0
855.51862	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	8.3
69.03410	15.9
83.34920	3.8
85.02898	100.0
87.04465	34.0
90.86639	3.9
91.03909	4.5
93.05806	4.2
97.02898	22.3
105.05506	14.1
109.02900	5.2
127.03896	15.2
145.04932	44.0
147.52374	4.4
152.62880	4.1
163.06003	13.6
191.09131	12.5
199.43925	5.1
325.11249	31.2
453.86758	5.2
657.34045	5.1
665.11108	5.0
881.62231	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08165	9.2
60.19559	1.2
67.05463	2.9
71.07365	6.0
79.75955	1.2
81.07044	2.0
86.00172	1.6
86.09173	2.5
86.09695	44.4
88.14817	1.4
95.04910	1.8
98.89931	1.4
98.98462	4.1
104.10739	3.6
107.63752	1.3
109.51984	1.3
120.39871	1.4
121.25196	1.3
124.99987	21.8
129.33665	2.0
154.02670	1.4
157.73625	1.6
184.07330	100.0
274.04089	1.8
369.17825	1.6
444.66205	1.6
594.52856	1.8
814.34869	2.2
838.55914	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47739	11.7
60.65997	9.3
64.41483	11.5
67.05495	24.8
69.33163	10.2
75.12965	11.9
77.80988	13.1
79.05501	14.8
79.37286	11.7
81.07034	26.8
86.09708	71.5
91.05510	14.7
93.07017	17.4
95.08627	11.7
97.02887	12.6
98.83224	11.2
105.07002	11.2
111.95676	10.4
124.99996	19.3
126.74978	11.6
152.01933	11.7
180.94930	11.6
184.07304	100.0
327.99969	13.5
374.43463	13.0
857.53583	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.6835
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	48.6
63.03457	0.4
63.27767	0.4
69.07058	8.1
71.08604	0.6
74.02420	2.1
77.18337	0.5
86.09699	17.5
97.06505	0.7
98.49008	0.5
112.07587	1.4
130.08629	3.8
132.10185	5.7
137.09718	0.5
144.28932	0.6
161.26622	0.5
182.15376	1.4
183.23709	0.5
200.16415	1.6
204.02907	0.9
204.04666	1.0
227.89122	0.5
287.23264	100.0
288.23569	1.5
301.24707	0.6
399.22021	0.6
403.97031	0.5
420.48947	0.6
465.60544	0.5
473.78781	0.5
495.39401	0.5
573.45862	11.9
641.70013	0.7
680.89575	0.7
817.51178	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72984	16.2
66.07595	16.6
67.05503	21.5
69.03408	82.3
71.04987	30.3
81.03410	86.5
81.07019	19.4
85.02898	100.0
87.00815	30.5
91.05470	28.1
93.07113	21.7
95.52676	19.6
97.02908	55.2
100.26902	18.7
105.01870	38.2
105.07023	23.6
107.08595	41.6
109.02863	62.6
119.05846	21.8
127.03914	99.7
157.10005	26.6
161.41920	25.2
171.11725	21.1
311.23724	36.0
787.05005	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.6002
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08146	11.3
65.83376	2.6
67.05482	2.7
71.07337	5.0
81.07025	3.0
84.80086	2.6
85.97143	2.7
86.09695	59.7
90.79129	3.2
100.80801	3.1
104.10724	2.9
109.45315	3.1
124.99997	23.3
184.07344	100.0
218.51515	3.4
304.62549	3.6
497.85220	3.8
755.97986	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.6662
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	13.0
69.07047	8.9
71.08625	33.9
80.95989	9.7
83.08632	7.9
85.10188	17.7
86.09718	10.3
87.04452	17.6
89.06018	100.0
90.79169	9.7
91.71043	12.6
91.71529	23.8
94.98433	8.5
97.10194	10.4
103.31385	8.8
118.04528	9.1
130.08633	20.0
133.08627	39.3
159.52103	11.2
177.11235	26.3
184.07330	28.1
211.03072	10.9
243.56476	11.6
575.05579	13.0
764.55261	12.4
790.14990	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40320	3.4
76.16739	3.3
80.80293	3.4
84.96019	8.9
86.09669	3.2
90.00016	3.1
97.99194	4.2
98.97568	30.1
110.97588	3.9
111.18542	3.1
115.98240	3.6
116.98627	20.2
127.56638	3.4
128.98642	8.6
130.04895	4.0
134.99667	6.9
140.00165	22.5
143.00180	5.0
144.35666	3.6
146.99631	6.2
152.00235	7.4
154.01735	5.9
158.00023	3.4
158.01268	19.3
161.01355	5.0
166.01768	4.9
170.01312	7.6
181.02885	15.4
182.01343	5.2
184.02878	7.9
195.03239	5.7
200.02339	5.6
201.00854	5.2
212.02374	5.3
213.04286	16.5
218.04956	4.5
220.14790	3.6
221.01299	6.3
236.05998	11.8
237.02855	11.9
239.02184	17.9
242.03383	11.6
244.02812	11.1
257.03366	15.8
260.04361	9.8
262.03955	19.2
263.02155	7.7
272.02377	5.3
280.05023	9.3
283.06061	10.9
285.05502	12.2
286.03833	7.7
303.06641	6.3
304.04758	5.8
326.07840	3.9
365.05386	100.0
372.66611	4.2
383.06506	7.2
406.08115	49.3
407.06400	69.2
425.07449	5.8
448.09140	53.9
451.05313	4.0
466.09955	5.5
483.46924	4.1
765.67847	4.3
775.17639	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.506
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08148	12.9
61.89635	14.8
73.27431	14.0
168.26976	16.1
184.49048	17.5
213.19284	16.6
227.49060	17.0
234.86685	15.0
235.36613	19.7
246.15752	17.2
347.41656	20.9
452.64612	19.3
511.85910	19.4
863.50623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36010	6.5
63.77749	8.1
65.83610	7.1
66.52302	7.3
68.91734	7.8
72.80239	7.6
79.37824	8.0
85.02888	14.9
109.53925	9.4
114.26875	8.6
145.77184	10.2
220.08421	9.8
251.36279	11.5
252.73111	11.9
290.13779	11.2
364.26862	10.6
867.24023	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.6493
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16052	25.4
64.04777	25.1
67.05493	100.0
79.05493	45.0
81.07050	84.6
91.05498	65.6
93.07024	63.0
95.08622	56.5
105.07027	45.9
107.08589	39.3
115.05492	36.2
117.07050	53.5
119.08567	43.9
127.30907	32.8
129.07028	35.8
133.10155	32.6
152.00636	40.0
154.72575	38.9
159.11749	33.3
178.07965	40.3
200.49225	32.2
202.40002	36.8
215.23474	33.1
398.42435	37.2
399.99564	33.5
420.36575	38.1
451.83612	32.7
867.65045	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	11.8
63.49750	7.9
66.56418	7.3
67.05497	25.4
67.87746	7.1
69.03419	10.8
69.04054	7.0
71.08620	13.9
79.05486	8.4
81.07052	11.2
85.02904	10.0
86.09671	12.9
88.14314	7.7
91.05460	15.6
93.07056	17.6
95.08584	10.3
107.08551	8.1
117.07006	9.3
141.52550	10.2
162.35992	9.0
179.14284	10.7
184.07402	18.3
234.97359	10.0
302.35168	9.2
438.38055	11.3
440.30222	9.5
468.48395	10.0
535.28912	17.8
871.51947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.516
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54467	7.8
67.05483	15.2
69.89897	9.8
71.08626	11.4
75.11396	9.3
79.05505	15.0
80.23047	8.6
85.02876	10.3
86.09698	24.1
91.70965	10.0
93.07018	18.1
95.08588	12.9
114.35675	9.6
119.12605	11.2
125.00005	16.5
184.07298	27.2
191.40659	10.8
191.88217	13.9
206.88773	11.3
350.65005	12.2
460.88037	15.3
510.05203	12.4
615.38757	13.2
675.64642	13.1
871.51904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
85.87695	26.5
88.42368	30.2
97.88486	27.0
127.31048	28.6
138.28003	28.4
145.93521	32.1
149.02214	30.5
154.80359	32.3
169.24637	27.9
172.95227	39.3
237.04617	31.0
252.91942	60.5
257.92465	40.2
259.67682	37.4
270.93045	36.0
275.93491	58.6
298.90408	36.4
298.95261	64.8
320.40784	35.8
336.93665	37.8
391.60895	37.3
442.63190	41.5
448.46368	41.1
467.46548	43.0
483.98569	100.0
514.27423	36.5
908.96423	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14833	9.2
67.05486	27.0
67.61759	9.0
69.03396	10.2
74.71999	10.4
79.05501	18.4
79.24033	11.1
81.07064	26.0
86.09703	23.3
87.85517	9.6
91.05473	14.4
91.71036	30.5
93.07053	24.7
95.08585	17.4
117.06892	12.0
142.08052	11.0
167.88316	10.2
184.07384	44.7
501.08768	13.0
537.30359	19.8
541.60217	13.9
545.90692	13.2
663.73364	15.2
873.53424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72621	23.2
64.02103	28.0
66.30162	26.3
74.16351	23.7
81.92085	26.8
88.48713	27.2
105.07086	32.7
108.54893	26.4
115.31385	26.5
119.78707	27.0
164.97942	30.9
169.23062	30.7
184.07439	47.7
194.13765	34.1
199.37898	31.0
252.62039	33.2
276.74521	30.9
277.31348	30.2
393.66083	34.8
464.75940	39.8
687.35962	44.0
877.48724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	26.2
71.08623	16.0
71.19295	13.3
79.05475	21.1
81.07030	42.5
86.09711	14.9
90.53767	17.1
91.05478	36.7
93.07030	20.1
105.07071	25.5
127.91816	18.5
145.10091	17.0
184.07332	46.8
185.77200	17.1
210.94534	16.2
215.22168	14.0
271.16122	15.7
293.64319	16.8
322.47116	19.4
407.32721	17.8
453.25150	19.9
642.13171	17.8
770.81360	18.2
877.51025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.385
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	100.0
69.98064	0.4
70.03729	0.6
71.26305	0.4
86.09673	0.6
87.04458	5.4
91.71023	1.0
101.63112	0.4
103.35523	0.5
124.21568	0.5
155.07016	18.8
173.08128	1.9
178.88426	0.4
180.16759	0.5
208.11143	0.5
241.10626	4.1
259.11710	2.1
277.12811	0.7
289.04614	0.5
327.14420	1.0
345.15524	1.4
591.52698	0.5
623.39886	0.6
675.60980	0.5
704.20074	0.6
704.37378	0.5
825.70886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5221
Annotation	CHEMBL3577211
Peak:m/z	Relative Intensity
61.02917	5.2
67.05490	18.8
69.03413	10.6
73.02909	5.6
73.11047	4.8
79.05457	11.9
81.07066	12.4
85.02888	8.1
86.09712	8.9
91.03951	6.0
91.05465	19.6
93.07033	10.7
95.08599	12.3
96.99611	5.2
97.02879	9.4
105.07036	19.2
105.79778	4.9
107.08633	5.5
117.07024	10.6
119.08579	6.7
124.99989	6.8
129.07027	7.3
131.08586	8.5
131.40669	5.7
143.08508	5.1
145.10135	5.7
184.07341	12.9
231.91071	6.9
272.80820	6.5
559.28436	6.4
561.30286	7.7
686.07721	6.6
724.23346	6.0
879.52368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	58.9
69.07086	24.8
79.05495	28.2
81.07065	49.8
83.64758	25.6
91.05492	49.2
93.07076	37.0
95.04985	38.7
95.08600	44.8
100.86460	21.6
102.31063	25.6
118.47869	21.1
124.99917	23.2
141.27377	24.3
184.07347	53.1
273.05423	30.7
297.26007	27.2
336.23691	34.9
860.46338	32.8
881.53040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73713	4.9
67.98489	6.6
70.07555	5.4
80.49078	6.0
88.01045	6.3
93.07064	10.0
95.07330	14.6
96.08127	17.7
108.08083	7.7
110.09681	26.3
120.08080	24.1
138.09135	100.0
145.82999	6.8
150.09053	14.1
164.07089	13.9
202.08746	6.9
230.07903	7.8
231.42337	7.0
261.08694	26.1
362.57886	6.5
412.79932	8.5
470.19196	14.4
543.71802	8.2
589.26160	8.7
617.25726	21.7
635.27081	33.5
736.50342	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38092	3.8
83.98019	3.9
84.04497	5.6
85.02888	6.5
93.07043	7.3
94.06560	10.7
95.07349	7.1
96.08128	16.6
108.08081	9.1
110.09673	24.7
120.08077	27.4
121.08887	5.4
122.09660	9.8
128.16763	4.5
130.05080	6.2
138.09143	100.0
140.06982	5.9
150.09161	8.5
164.07089	28.3
174.09103	7.5
191.08278	6.2
200.31346	4.1
202.08754	6.2
217.09726	7.3
220.09868	6.6
233.05911	7.4
245.09145	9.2
248.09332	6.1
251.07091	5.2
261.08667	65.5
263.10181	7.4
287.10294	11.1
294.97519	4.4
305.11096	6.1
307.12872	13.6
327.93442	5.2
333.10867	6.0
373.18439	6.1
398.17221	6.4
452.18301	4.9
480.17618	13.9
607.27588	6.9
617.25568	8.1
635.27258	19.6
720.25238	6.1
756.30084	6.4
885.32556	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	4.9
76.02218	3.5
82.06578	3.6
83.06136	2.8
84.04516	5.1
85.02894	23.6
91.05478	3.0
93.07034	6.3
94.06543	7.4
95.07351	7.9
96.08110	19.9
97.02860	5.3
108.08090	17.1
110.09662	26.9
120.08102	28.1
121.08881	5.1
122.02727	7.4
122.06033	6.1
122.09679	10.8
127.03904	6.8
130.05087	4.6
136.07596	10.3
138.09131	100.0
140.10674	5.4
143.46060	3.1
145.04953	8.6
146.09647	4.1
164.07051	33.5
166.08621	5.4
174.09163	6.3
181.09731	6.3
191.08224	6.8
192.10245	4.2
202.08719	4.2
203.08244	5.7
217.09622	3.8
220.09688	7.8
233.05879	8.5
245.09329	6.8
248.09213	4.5
251.06810	3.3
261.08679	38.4
263.10355	11.0
264.35938	3.2
287.10257	9.0
305.11401	11.0
307.12900	16.6
313.08264	4.1
333.10648	8.5
406.17664	8.8
434.17087	4.0
472.20474	9.5
480.17700	11.2
489.42511	3.2
607.27417	6.7
617.26007	10.1
635.26978	22.5
738.27509	7.8
756.27667	4.6
867.32306	5.1
885.33722	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27658	14.9
67.05493	66.0
67.75981	11.6
69.07059	22.4
73.68005	12.3
75.68163	11.8
79.05476	54.2
79.24561	13.6
81.03373	15.2
81.07056	86.3
85.02866	16.3
86.09703	39.2
91.05463	71.9
93.07029	53.9
95.04969	18.1
95.08612	27.2
105.07005	99.8
107.08581	22.9
111.94131	14.9
119.08581	46.9
129.05412	18.4
129.06961	29.0
131.08575	22.7
133.10143	50.5
142.07719	14.7
145.10062	18.8
147.11682	28.5
150.37767	16.6
157.10138	20.8
175.11160	79.2
177.12744	21.7
184.07359	53.8
244.30913	21.6
248.25131	16.1
267.79263	15.8
335.25702	100.0
401.25119	18.2
418.83099	19.2
527.37451	40.3
763.17627	21.0
773.55884	21.0
866.94226	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95679	9.8
67.05500	63.8
69.07070	20.9
69.98559	10.0
79.05483	59.0
81.03426	26.6
81.07072	48.8
91.05496	52.3
93.07053	28.3
95.04941	14.6
95.08620	36.4
105.07046	30.0
107.04960	29.2
107.08625	24.0
109.10169	12.8
117.07072	39.1
119.08578	23.5
119.65405	10.9
121.10130	19.9
129.07018	18.9
131.08588	32.6
135.11720	13.7
145.10147	40.2
147.08134	16.4
163.11266	43.4
173.09702	26.7
184.07423	16.1
190.68439	12.5
191.10747	13.3
192.89450	10.7
210.29236	12.9
251.29245	12.0
265.14423	42.3
337.27542	45.7
527.37329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78096	8.3
67.05493	66.0
67.31536	6.1
68.15714	5.8
69.07049	14.7
73.02885	6.5
75.61419	6.5
79.05480	44.3
81.07042	57.1
83.04974	7.4
83.08605	10.8
85.02901	25.3
86.03425	6.5
91.03967	11.2
91.05463	95.6
91.71072	15.5
93.07043	63.4
95.04993	12.9
95.08603	35.0
96.39920	8.0
97.02883	12.1
105.07035	84.8
107.08611	21.6
109.10140	14.0
112.94104	7.1
117.07011	16.6
119.08562	48.3
121.10149	12.8
129.05498	14.9
129.07019	40.3
131.08546	46.5
133.10153	33.5
142.07803	17.0
143.08646	7.5
145.10144	17.0
147.07953	11.6
147.11688	33.4
149.15498	6.7
155.08635	9.5
157.10107	30.8
159.11690	15.1
161.13206	12.3
163.05988	10.9
169.10191	10.9
171.11719	17.1
175.11179	100.0
177.12682	14.1
184.07275	19.9
210.38628	8.4
335.25824	64.8
336.26086	10.1
435.32581	14.3
527.37195	41.4
538.43250	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20160	7.5
65.99660	5.5
67.05202	7.7
67.05500	59.5
69.03426	66.9
69.07054	26.6
70.03760	7.9
72.11729	5.9
79.05495	45.5
81.07050	74.3
83.08611	16.7
85.02898	20.1
86.09695	21.6
91.03951	14.1
91.04566	6.0
91.05470	80.7
93.07040	33.8
94.29980	6.5
95.08594	47.0
97.02873	9.7
97.45059	7.0
105.07017	73.6
107.08615	11.5
109.10121	17.2
119.08556	38.7
124.99973	9.4
129.05486	13.4
129.06999	24.6
131.08565	41.9
131.09367	6.6
133.10133	35.4
135.11646	8.6
142.07834	8.1
145.10135	16.5
147.11726	30.5
155.07054	13.9
155.08441	8.1
157.10123	26.0
161.13266	7.9
171.11690	9.8
175.11206	98.8
177.12735	13.9
184.07324	28.0
204.04428	6.9
267.89001	8.2
288.35727	7.5
326.21701	7.7
337.27350	100.0
437.33939	11.8
529.38904	35.6
756.20575	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05225	4.5
68.37662	4.4
69.03409	8.3
73.02888	7.1
80.53772	5.3
81.07046	9.4
85.02901	17.4
86.09708	6.7
91.03944	9.0
91.71714	8.6
97.02880	18.1
105.07014	5.6
154.86922	5.2
172.38312	5.5
184.07358	7.3
299.92310	5.6
405.13742	14.3
448.47623	6.7
540.79028	6.8
613.24927	6.7
728.79309	6.7
732.38013	6.8
891.46747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	19.1
71.04992	13.4
79.05497	16.2
81.07069	13.5
85.02901	21.4
91.05509	17.2
97.02868	15.5
125.09579	13.7
132.70587	14.2
150.57288	15.0
152.57468	14.8
175.58110	14.1
184.07448	39.6
316.88870	14.2
334.31390	14.5
337.75418	14.7
386.46796	17.6
612.24219	15.1
891.46112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	11.5
68.49042	5.5
69.03403	8.0
69.07027	7.4
73.02905	6.6
79.05450	8.6
81.07043	18.3
85.02890	12.3
89.35445	7.0
91.05464	10.6
95.08629	10.8
97.02889	20.0
100.08036	7.5
101.11350	6.9
105.06987	5.9
127.03907	8.3
141.85489	8.5
152.10281	7.8
184.07318	17.9
213.97232	7.0
257.67642	7.9
335.52863	7.8
395.56418	7.4
423.98709	8.0
764.87109	10.7
893.48132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.517
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84290	11.5
67.05487	14.4
69.03403	11.2
69.52470	11.0
69.83586	11.1
78.32489	12.9
79.05467	16.6
81.07027	14.6
85.02917	12.3
86.09668	13.7
91.05481	21.0
95.83852	10.9
105.07001	14.5
107.49878	11.5
109.32673	12.5
113.45519	11.5
117.07055	15.2
129.07028	13.3
140.37187	13.5
147.41605	13.5
246.53426	12.1
313.60022	18.0
511.70227	14.4
895.52148	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	18.0
69.03421	25.0
76.57499	10.9
81.03419	11.2
85.02905	100.0
91.73418	11.5
97.02905	24.7
105.01850	41.3
109.02882	22.7
109.10153	24.2
127.03944	40.8
129.83716	10.5
144.85710	13.8
145.04997	27.2
167.15709	11.6
174.05635	12.6
189.03436	14.1
251.33614	12.6
325.06598	13.7
872.96991	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	25.9
69.03425	9.4
69.07063	14.8
70.25178	4.7
71.08610	19.4
77.63980	5.1
78.04163	6.3
78.75240	5.4
81.07044	35.3
83.08614	17.2
85.02879	12.2
85.10177	17.5
86.09708	15.1
89.79630	6.2
91.03967	11.3
91.05480	17.7
93.07035	20.7
95.05019	5.8
95.08595	28.7
97.02878	8.3
97.10152	7.8
99.00788	15.1
105.07030	17.2
107.04927	9.4
107.08577	8.6
109.02861	8.9
109.06500	7.0
109.10153	13.3
111.21472	5.6
113.95305	6.0
119.08588	13.5
121.06499	9.6
124.99992	7.7
128.19545	5.9
131.08662	5.3
133.10071	35.1
151.11159	8.1
161.09656	20.6
179.10741	7.5
184.07292	31.8
249.62984	7.6
299.14880	71.1
313.27322	100.0
537.37750	68.7
549.60175	6.6
622.67450	7.2
701.82660	7.2
807.99945	7.6
850.47125	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34283	8.7
67.05486	13.7
68.15795	11.5
70.68166	9.3
80.17924	10.8
81.07047	19.3
85.02879	16.5
85.17812	9.9
91.05473	22.8
91.71011	17.2
105.07005	13.4
164.99515	11.4
184.07298	17.0
194.32512	15.4
258.75034	12.7
314.52255	16.4
472.52393	15.0
570.52875	17.5
603.08954	15.8
897.53564	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	74.0
69.07045	20.3
70.20196	9.2
71.08609	38.3
74.79231	8.3
75.81867	8.1
79.05467	22.6
81.07043	46.6
82.37144	8.4
83.04966	18.2
83.08609	14.2
85.02911	21.3
85.06549	10.6
85.10175	14.3
86.09710	12.9
89.55779	7.7
91.05472	20.4
93.07046	43.0
95.04984	12.6
95.08583	32.6
97.06532	14.4
105.07047	11.1
107.04967	41.1
107.08603	25.8
109.10161	12.7
111.04464	24.2
117.07021	17.5
119.08573	15.4
121.10122	31.4
127.74969	9.7
131.04800	9.0
131.76706	8.8
135.11676	42.1
145.06538	11.9
145.10068	43.3
149.09601	12.2
163.11160	36.2
173.09599	19.7
181.12225	22.8
184.07281	16.3
191.10706	25.6
265.14304	40.3
283.15341	89.8
301.16440	50.5
308.10956	12.4
313.27280	79.6
521.38568	47.4
539.39441	100.0
594.50183	12.1
633.99945	10.4
635.09412	10.4
744.89014	12.4
811.79987	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08148	100.0
91.05513	3.5
95.01265	2.3
97.06519	3.6
105.07024	5.4
120.08091	21.7
125.09514	4.0
126.15779	2.6
145.99605	2.7
148.69991	2.8
153.08965	21.2
188.14328	19.0
216.15036	10.4
244.14430	64.9
244.16763	4.3
286.22717	31.8
314.22220	85.6
315.22809	4.4
328.11386	3.6
373.29608	76.8
733.95782	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.6928
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93218	8.2
66.01455	8.3
71.08627	35.9
73.86576	8.9
85.10175	21.6
87.04450	14.9
89.06017	100.0
91.05499	9.1
100.07133	9.3
109.35915	10.1
111.11751	10.9
126.50230	10.1
130.08675	18.7
133.08620	59.2
141.91095	11.3
177.11238	17.5
182.54962	12.0
325.46280	13.8
402.33517	11.3
618.99713	12.6
693.16699	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6796
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.5
69.07037	1.4
70.06573	2.5
74.81835	0.7
80.44602	0.8
81.07024	1.4
82.06567	5.5
83.04967	2.2
83.08613	17.9
84.08125	2.4
85.06512	1.6
96.08163	1.2
98.09689	3.4
100.07606	10.6
100.11247	100.0
101.11584	0.8
110.06036	3.4
111.04436	11.1
112.07619	3.2
112.11265	1.0
117.13882	1.3
126.09151	3.6
127.08666	2.4
128.07074	10.2
139.08676	5.4
140.07043	4.1
146.73833	0.8
147.11653	0.8
164.14401	1.1
166.15923	1.5
176.29329	0.8
182.15390	39.7
192.13850	1.6
209.16483	32.2
210.14877	49.7
211.15210	1.0
216.92487	0.9
224.68472	0.9
226.19093	6.5
227.17647	3.1
228.16031	3.1
290.49045	0.9
296.20624	0.9
308.27173	0.9
309.25497	2.0
326.28082	5.7
336.22641	4.7
343.30750	2.9
377.83752	0.9
435.33258	1.8
452.36334	2.2
453.34384	2.0
476.40784	0.9
632.85345	1.0
778.62152	0.9
887.66559	5.8
896.31586	1.0
905.67896	49.6
906.67920	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24396	12.0
66.55110	11.8
67.05512	53.1
69.07053	13.3
79.05502	43.2
81.07067	59.9
85.02926	15.8
91.05463	100.0
91.05943	10.1
91.71088	18.6
93.07089	43.5
95.05017	16.5
95.08631	38.0
97.02932	12.9
97.14955	12.2
105.07060	61.4
107.08604	16.4
117.07066	22.1
119.08614	26.6
129.05524	19.1
129.07033	28.0
131.08615	54.5
133.10158	42.2
143.08600	17.2
147.11794	17.4
149.13234	16.2
157.10223	33.0
175.11115	69.9
209.57242	15.8
247.68503	14.4
251.16595	16.2
271.47449	14.3
306.24045	16.6
361.27808	16.7
430.47577	15.8
485.42035	17.0
756.29730	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58659	7.8
67.05499	55.3
69.07064	15.6
73.02939	13.0
79.05509	41.1
81.07049	73.3
83.08618	12.1
86.09738	13.2
91.03960	13.8
91.05466	100.0
93.07057	46.1
95.04985	24.1
95.08620	31.1
97.02902	11.2
100.69790	8.7
105.07014	75.9
107.08625	33.6
109.10197	13.4
117.07035	32.6
119.08536	49.1
121.10159	19.4
129.05511	20.1
129.07048	39.4
131.08603	42.5
133.10165	33.1
134.59483	10.3
135.40773	10.1
142.07755	10.6
145.10188	17.4
147.11723	15.9
155.08611	11.2
157.10162	24.8
175.11143	62.9
177.12770	17.3
180.01547	9.6
183.11829	17.1
203.06099	10.2
277.02026	12.0
291.23352	11.4
361.27521	27.4
553.39093	22.3
648.43719	16.2
945.13226	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65836	2.7
70.77174	2.6
71.59055	3.1
82.06561	3.1
83.08593	11.2
85.39967	3.2
100.07626	4.5
100.11247	68.3
101.00033	2.9
111.04450	8.3
112.07594	3.7
128.07094	3.6
151.60023	3.2
182.15431	13.2
209.16545	20.2
210.14883	19.2
226.19139	8.3
227.73384	3.2
246.66348	3.1
326.28003	4.5
371.69186	4.2
410.83667	3.9
435.33334	9.3
453.34286	100.0
501.21490	4.0
504.24469	3.6
692.17822	4.4
766.16589	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.229
Annotation	Unknow
Peak:m/z	Relative Intensity
82.49040	6.0
89.30149	6.5
91.71008	7.2
98.97564	18.0
100.74803	6.4
112.99147	7.1
140.00201	19.7
141.67119	6.1
149.01256	9.2
158.01297	9.8
158.99702	19.5
161.01237	18.7
168.61748	8.3
173.01274	14.4
177.00728	17.9
184.02867	7.6
185.01199	10.5
195.04382	10.3
200.02295	23.7
203.02351	24.3
207.04237	8.1
214.03900	21.4
226.03828	37.5
226.20207	6.9
227.02254	14.2
242.03331	9.8
245.03337	12.7
249.05574	10.9
268.04935	27.8
286.06131	9.6
346.07825	15.8
388.09027	9.3
391.09067	22.7
399.60898	6.9
433.10159	100.0
477.09030	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.486
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93046	5.6
66.34708	5.9
67.51241	4.6
69.03403	7.8
85.02901	16.0
91.03956	7.5
91.05483	11.5
97.02901	14.7
105.07024	9.7
110.59843	5.7
149.03574	5.8
149.95641	6.5
210.16772	6.3
229.70566	5.9
232.35335	6.0
360.00079	7.2
405.13785	17.8
465.28345	7.6
554.14154	7.0
560.99628	6.8
613.24084	13.0
762.37250	7.6
917.48517	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	8.5
68.00962	7.4
69.03420	14.4
71.64734	7.3
73.02887	10.1
74.44104	8.7
75.00296	6.4
81.69244	7.2
85.02898	19.7
94.30954	8.3
97.02872	15.8
113.17323	8.9
113.93799	7.8
139.53706	8.6
170.54919	8.8
684.46820	11.0
707.36078	10.9
838.63013	12.4
917.48163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90295	10.3
81.26293	10.0
93.07072	11.3
93.64906	10.9
120.08127	30.1
138.09135	100.0
158.01309	16.6
164.07120	15.7
171.57635	11.3
183.93077	13.1
211.87630	12.6
249.13152	13.7
250.38344	12.5
261.08838	48.0
283.51752	14.4
297.33768	16.5
307.13089	13.4
444.17685	38.2
682.24738	14.7
756.30151	26.8
894.65582	14.5
898.39111	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
66.29919	2.1
86.09702	2.8
98.97575	15.9
109.18001	2.4
116.98608	7.3
121.24669	2.4
140.00192	11.6
143.00114	3.3
158.01289	5.1
158.99651	12.7
159.69360	2.7
161.01297	3.0
166.01723	3.0
177.00735	6.0
181.02875	3.7
184.02879	3.9
185.01279	5.5
200.02275	13.7
203.02203	12.3
221.03491	3.2
226.03850	21.6
227.02357	5.4
238.87503	2.7
244.04988	3.8
245.03345	8.3
249.05505	5.3
268.04889	9.7
305.05426	4.7
323.06421	5.4
346.08035	17.5
391.09113	100.0
391.14273	5.5
465.07019	4.0
519.82263	3.2
552.25153	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95565	28.1
72.63477	25.8
76.77174	26.8
88.26490	31.0
93.79037	29.9
130.51495	31.5
305.25092	38.1
437.19513	100.0
509.27283	92.6
821.63562	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5822
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	100.0
69.07058	31.5
73.02862	14.4
79.05479	67.6
81.07052	99.5
83.08604	15.5
85.02879	31.9
91.03942	15.5
91.05456	54.1
93.07014	81.3
95.08601	64.0
97.02866	17.8
105.07021	49.1
107.08601	34.2
109.10162	51.9
110.52450	15.1
117.07010	15.4
119.08562	31.4
121.10099	26.4
131.08559	28.8
133.10089	18.6
135.11700	40.7
140.67488	16.4
145.10089	15.5
147.11749	20.5
150.77739	14.8
171.67050	14.2
209.48320	15.0
233.19188	22.9
307.22662	49.8
316.66504	16.8
335.25818	39.7
365.77591	17.6
413.52750	18.1
435.45905	16.0
444.28143	18.1
606.90289	15.5
623.66614	16.5
949.71338	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5978
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
69.07059	33.3
75.50843	9.4
79.05475	25.8
79.08229	9.2
81.07038	88.4
83.08611	14.6
85.02885	23.7
86.05527	9.1
86.29597	10.6
91.05480	39.5
93.07034	48.2
95.08614	71.9
97.02934	9.4
101.65562	9.4
105.07045	24.5
107.08612	23.2
109.10159	30.6
114.62383	10.3
119.08579	13.8
121.10146	32.6
133.10141	17.4
149.60379	9.5
175.86829	11.9
221.25499	11.8
247.60934	11.4
301.74792	12.3
309.24329	59.0
315.79663	13.2
335.25763	58.3
550.90247	12.6
561.53461	13.1
569.45465	14.1
587.46790	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	70.6
69.07045	29.3
70.07915	8.2
79.05478	16.4
81.07053	100.0
83.08601	17.1
85.02888	20.8
91.03934	9.3
91.05486	24.8
93.07033	21.2
95.08596	59.5
97.02840	8.2
105.07030	15.9
107.08601	18.4
109.10143	20.8
119.08618	11.9
121.10099	13.1
131.08482	10.6
135.11708	16.0
162.67761	8.7
235.20612	10.8
309.24167	55.8
311.25934	12.8
337.27383	56.2
496.50241	10.7
571.46954	26.3
589.48157	39.0
625.21814	12.1
631.62390	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	19.9
69.03408	17.9
69.64340	9.3
70.27567	9.4
73.02901	9.3
85.02888	12.5
91.03941	14.1
91.05452	14.2
96.62392	8.5
97.02831	16.8
100.51949	11.1
152.54610	9.6
157.17253	10.3
175.46800	10.0
193.05228	10.1
207.49327	10.9
220.84685	13.2
282.11841	10.5
382.82675	10.4
405.13278	12.8
449.24246	11.3
498.74307	11.4
648.91119	13.2
931.53729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32781	11.3
80.26183	9.8
81.07056	12.8
91.71734	18.9
94.68498	10.2
113.93109	13.3
135.58080	12.5
220.62173	14.2
309.43460	13.3
389.38391	12.9
655.32507	15.6
933.55011	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05470	6.7
69.03422	11.5
81.07063	9.3
85.02881	10.8
91.03944	6.3
91.71041	5.8
97.02889	11.2
109.70222	7.3
185.83968	8.0
342.70776	7.2
395.42102	7.4
405.13922	11.9
493.28067	8.9
655.32709	11.1
935.56787	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
72.47501	5.8
87.28153	5.3
109.41197	5.5
132.81374	5.7
142.35091	5.9
164.98705	5.4
229.95305	5.9
249.95982	7.1
250.26332	5.8
261.69574	6.2
283.43491	6.1
351.17770	6.8
469.46271	6.2
588.47058	7.6
951.54443	100.0
952.54645	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5799
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	14.7
71.86015	8.5
81.07053	13.3
85.02910	11.3
91.05506	15.3
97.02898	14.4
139.32414	10.5
187.85008	10.6
196.64966	11.5
250.07802	12.0
347.46143	14.0
349.23819	11.8
682.82092	13.1
953.57898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
68.10199	1.4
73.57412	1.3
73.59126	1.4
81.03415	2.0
84.04504	26.6
96.04489	16.9
96.69926	1.4
97.02894	2.1
98.06051	7.5
109.02903	2.8
126.05518	30.7
138.05498	100.0
144.05417	2.3
144.06537	17.9
168.06566	15.5
170.79298	1.4
186.07642	14.1
204.08826	2.4
231.83823	1.8
276.10751	41.2
277.68478	1.6
294.11853	5.3
299.36374	1.7
301.02145	1.6
307.91797	1.4
329.13449	6.7
479.18671	8.7
591.01324	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	86.1
69.07055	20.1
73.02048	3.5
73.02917	5.6
79.05482	36.0
81.07045	100.0
83.08614	11.6
83.22030	4.5
85.02893	23.7
91.03941	9.4
91.05475	40.3
93.07031	67.0
95.04969	11.8
95.08602	72.7
97.02885	17.1
97.06496	5.3
97.10174	5.4
102.14565	4.4
105.07002	34.9
107.08585	35.5
109.10127	24.7
117.07011	5.9
119.08599	19.0
121.10127	30.0
123.11696	11.5
131.08580	17.8
133.10112	19.9
135.11681	19.6
145.10172	7.0
147.11687	13.7
149.13272	9.7
159.11697	12.8
161.13197	7.5
163.06067	6.6
163.14886	5.2
171.11632	5.4
173.13268	9.6
175.14827	5.8
259.20615	12.7
261.22153	20.8
317.24442	5.1
335.25760	88.6
337.27194	7.2
524.38116	6.0
595.47235	10.1
613.48120	15.6
742.45093	5.4
802.96045	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	88.1
67.13547	7.8
69.03407	6.9
69.07052	23.5
71.64450	7.7
73.02902	11.0
79.05478	69.2
79.43456	8.8
80.87685	9.2
81.07052	96.4
83.08601	12.8
85.02900	33.7
91.03954	12.4
91.05468	46.2
93.07044	65.6
95.04939	8.3
95.08601	68.1
97.02894	13.6
105.07018	30.4
107.08589	40.5
109.10157	28.1
117.06976	9.1
119.08553	10.0
121.10152	34.8
123.11722	8.4
131.08574	20.2
133.10168	14.1
135.11711	10.4
145.10210	13.2
147.11726	21.5
149.13306	10.5
154.73056	9.4
159.11815	10.8
161.13245	15.0
173.13347	12.0
180.80113	8.9
201.88866	9.6
205.47520	9.2
243.21092	11.2
247.74245	11.7
259.20544	12.5
261.22192	23.9
273.01288	9.4
335.25732	100.0
595.46765	12.7
613.47803	19.2
868.43896	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.7022
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	67.2
67.76523	13.2
69.07040	27.7
70.90508	13.8
79.05482	38.7
81.07030	80.9
83.08667	13.9
91.05460	100.0
93.07027	59.7
95.04937	27.5
95.08601	42.0
96.76791	14.3
100.92770	15.0
105.07007	62.1
107.08551	35.1
117.07011	37.1
119.08570	46.9
121.10139	16.1
131.08565	32.0
133.10141	41.4
143.08578	26.8
145.10141	14.1
147.11691	19.7
148.66339	15.2
152.98734	12.9
157.10159	21.3
159.11720	20.5
163.14700	13.2
189.35779	13.7
209.13358	19.5
252.54701	13.6
272.79608	13.7
276.13495	16.8
339.43054	13.3
494.14038	14.0
638.43030	13.8
642.71661	18.0
877.29700	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	16.0
68.84465	7.9
71.08649	7.2
73.02921	9.7
81.07057	18.7
85.02898	14.3
91.03992	8.9
95.08633	8.8
105.15003	7.8
109.10151	8.9
118.20914	8.2
125.86905	8.8
138.75351	7.2
140.08398	7.7
184.10130	7.6
219.48512	9.1
245.11568	8.1
335.87863	8.7
353.91388	11.1
497.30386	11.4
524.20551	9.0
659.35449	10.4
955.59717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	91.4
69.07053	26.8
79.05478	32.0
81.07048	100.0
83.08627	15.4
85.02885	20.5
91.03941	10.7
91.05476	26.8
93.07030	61.6
95.04955	6.2
95.08600	64.2
97.02856	6.3
97.10147	6.9
103.62180	5.6
105.07020	24.6
107.08575	31.0
109.10163	34.1
117.06963	6.3
119.08571	14.9
121.10158	18.3
123.11723	8.5
127.03931	9.7
131.08563	6.0
133.10114	14.0
135.11655	13.3
145.10155	9.8
147.11705	8.6
149.13231	9.5
158.47133	6.1
161.13202	10.7
163.06015	5.1
163.14793	8.6
173.13315	7.7
175.14917	6.2
222.89270	6.1
245.22456	6.5
261.22104	14.5
263.23822	7.9
267.79996	5.3
305.41818	5.5
335.25781	51.3
337.27325	57.5
354.19913	6.7
597.48657	20.6
615.49506	32.5
655.46686	7.4
872.21234	8.5
923.86035	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	2.7
71.85254	2.9
79.05469	2.9
85.02883	3.8
88.63650	2.9
91.71114	4.6
93.07035	9.8
94.06560	10.8
95.07323	9.3
96.08112	15.4
107.07298	2.8
108.08116	13.9
110.09676	26.4
119.04966	3.6
120.08087	28.6
121.06499	3.0
122.06002	7.8
122.09678	13.4
122.89144	3.7
123.06856	3.5
131.07364	3.0
136.07596	12.1
138.09143	100.0
142.76413	3.3
146.09714	5.7
148.07516	4.0
150.09143	10.9
164.07060	11.7
174.09186	8.4
177.06586	3.7
181.09724	8.6
191.08215	9.7
202.08749	9.3
217.09602	4.4
220.09692	9.3
230.08197	6.1
245.09293	4.7
248.09016	4.0
259.10806	4.2
261.08673	70.1
263.10321	6.2
272.09000	4.3
287.10327	6.0
305.11203	5.0
307.12604	4.0
313.08185	5.3
331.09506	7.5
398.17102	5.5
406.17691	4.7
434.16861	7.1
452.18094	6.4
454.19696	3.8
470.19083	6.8
472.20633	5.1
473.99200	3.6
480.17627	4.4
589.26392	8.2
607.27576	11.1
617.25928	40.6
635.27081	57.0
779.31097	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68372	5.7
84.12132	5.2
93.07042	9.5
94.06574	10.0
96.08137	11.4
108.08127	10.9
110.09661	32.5
120.08076	29.8
122.06079	10.3
123.05384	6.2
138.09125	100.0
138.10098	6.7
150.09245	7.0
164.07133	17.0
177.06679	6.1
181.09721	8.2
191.08031	6.6
248.09401	6.3
261.08786	18.7
287.10382	8.1
307.13126	7.5
328.53494	6.4
420.75650	6.9
470.19510	12.0
607.27228	8.4
617.26141	17.9
635.27094	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97620	12.1
69.03439	10.9
93.07033	13.7
102.61728	11.9
104.62064	14.5
138.90547	11.9
166.47993	12.8
177.68517	11.9
269.59360	12.9
453.78015	14.6
489.66177	15.8
690.84161	16.2
959.56317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	54.6
67.47519	8.3
69.07047	17.7
71.08605	25.3
79.05459	11.1
79.10406	8.1
81.07052	59.0
83.08590	13.9
91.05499	17.9
93.07037	17.5
95.08591	32.2
99.08081	15.9
105.07055	12.8
107.08581	10.4
109.10152	9.8
121.10138	9.1
133.52361	9.2
138.24312	8.5
293.21124	100.0
309.09930	9.7
309.24179	51.1
367.24731	47.5
601.44489	62.8
616.71881	10.6
856.10437	11.3
919.87219	10.9
943.31702	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	16.2
68.74407	11.7
75.70542	10.2
91.71109	29.5
106.84341	14.3
128.92732	12.8
208.15529	14.4
247.13704	18.9
247.47369	13.3
286.11850	15.8
343.71512	15.2
370.71829	15.2
518.87061	15.0
961.58911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.588
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	47.0
69.03423	16.7
76.58829	13.5
79.05525	20.5
81.07079	50.1
85.02904	40.7
91.05482	38.9
93.07038	35.4
95.08614	40.3
97.02922	19.1
100.85722	14.6
121.10205	23.8
129.07056	18.1
129.55843	14.1
131.08572	19.3
147.11839	14.8
190.35649	18.4
307.25217	18.5
474.42136	17.5
485.16873	19.2
637.48285	100.0
771.68207	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	18.6
69.07037	16.0
71.08614	35.0
71.09873	7.5
81.07037	20.1
83.08608	13.2
85.02904	9.6
88.73008	6.9
91.05460	7.6
95.04974	12.4
95.08614	16.8
99.08109	12.5
103.97910	8.7
109.10149	13.9
120.39925	8.3
131.08614	9.7
147.64989	8.6
182.00635	9.2
230.59325	8.8
267.39890	9.6
293.21091	100.0
313.27365	49.2
367.24966	21.3
453.06113	10.0
605.47760	66.6
810.68103	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	96.7
68.53300	29.1
71.08605	42.1
81.07041	90.8
83.76295	26.7
89.86874	32.4
91.05470	71.7
93.07000	40.5
95.04953	41.3
95.08585	71.2
96.33328	32.9
105.07014	42.8
106.10516	28.7
107.08593	38.9
109.10171	38.6
121.10103	30.7
121.83279	26.5
128.82870	29.9
133.10104	59.9
229.44405	36.1
264.93579	33.6
313.27286	67.6
315.46552	30.4
430.00220	35.1
498.16821	34.6
498.26041	36.6
605.47656	100.0
737.05682	42.0
875.99170	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69477	2.4
67.05495	31.8
68.07668	3.4
69.07056	17.5
71.08623	27.5
73.44366	2.9
79.05470	15.2
80.23562	3.9
81.03417	5.6
81.07045	38.6
83.04937	4.7
83.08606	29.7
85.02926	4.3
85.10168	13.2
91.05469	16.1
91.71658	4.8
93.07050	21.8
95.04955	39.9
95.08590	36.1
97.06571	4.3
97.10156	8.0
103.23405	3.5
105.07018	19.8
105.84970	3.5
107.04955	7.9
107.08559	17.7
109.06495	6.8
109.10110	17.8
111.04443	8.5
117.06989	6.6
119.08588	13.2
121.10143	11.5
123.08036	4.5
123.11657	5.4
125.09570	3.6
131.08542	10.4
133.10164	10.9
135.08112	4.1
135.11685	4.4
139.15125	3.4
145.10127	10.2
147.11685	6.4
149.09613	14.3
159.11661	6.8
161.13390	3.8
163.11163	18.3
189.11201	4.5
220.59143	3.8
223.13281	15.2
249.47354	4.4
257.18988	4.1
275.19949	19.7
293.21106	12.4
313.27328	100.0
339.42587	4.4
349.23691	17.0
367.24811	22.6
403.44818	4.2
448.89008	4.2
587.46735	17.3
605.47736	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	100.0
84.83196	0.3
87.04457	4.7
94.88904	0.3
123.97100	0.4
155.07014	20.0
173.08066	1.9
180.30194	0.3
241.10660	3.9
247.20383	0.4
259.11844	2.8
272.28693	0.3
307.90298	0.3
327.14258	0.4
345.15442	2.1
431.19220	0.4
460.95627	0.4
549.57397	0.4
665.54803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6347
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	49.6
67.18208	4.6
69.03415	7.4
69.07050	15.6
71.08613	29.9
74.59281	6.7
79.05489	16.3
81.03416	8.7
81.07053	55.1
83.04970	9.2
83.08619	26.6
85.10177	17.5
91.05454	12.1
91.18188	5.5
93.07041	25.2
95.08595	39.7
97.10182	10.2
105.07005	11.3
107.08584	6.9
109.10156	22.0
117.07036	9.4
119.08549	6.9
131.08571	11.3
151.11127	7.7
153.93066	6.7
155.39040	6.6
269.17422	15.9
271.31516	8.0
313.27283	100.0
388.69760	7.5
406.52695	8.0
467.37091	18.4
496.21777	7.7
507.40344	79.7
589.48535	19.2
1003.45032	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5749
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	8.7
69.03436	9.3
81.07063	8.9
85.02912	9.3
91.05502	7.3
97.02917	7.4
217.84839	7.0
222.77029	6.5
253.39592	8.2
357.81345	7.2
497.31070	10.1
676.74963	7.9
969.57245	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	6.6
73.02911	8.6
87.79099	5.3
95.08628	7.6
97.02914	6.9
97.81834	6.0
137.11118	7.3
137.58711	6.0
139.73529	6.0
140.76227	6.5
140.84183	6.0
277.44775	7.3
310.42038	7.9
332.75974	6.2
632.98779	7.7
969.57355	100.0
971.45972	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	13.7
69.39738	4.9
73.02902	8.9
77.99596	5.5
81.07054	10.0
84.06102	5.6
85.02879	10.3
91.03918	6.9
95.89981	6.2
97.02879	10.5
107.08537	5.9
127.21708	6.5
145.49667	5.9
170.11093	6.3
183.59834	6.0
193.18137	6.5
259.10898	6.9
292.81470	6.9
334.89377	9.0
497.30344	7.4
518.43573	6.6
639.48865	7.0
659.36102	9.9
714.60449	8.9
715.34424	11.8
971.59064	100.0
972.59186	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	11.2
72.27378	10.6
78.14990	12.2
79.05511	20.1
81.07050	64.0
85.02919	19.5
90.31935	11.6
91.03934	9.9
91.05504	33.8
93.07081	49.8
95.08652	26.3
96.55093	9.7
103.16631	10.6
105.07062	22.2
107.08584	19.2
109.10171	20.4
111.09912	11.3
117.07038	26.5
121.10165	24.7
121.28357	11.6
129.07019	14.1
131.08612	23.9
145.10132	20.2
152.57863	10.9
159.11696	12.7
203.53394	13.3
204.22635	13.9
219.14345	11.9
222.45088	12.1
285.22086	16.4
327.11887	13.9
335.25818	100.0
336.25906	13.4
831.00842	15.7
850.98334	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
71.48938	35.4
75.09595	35.1
75.96974	34.0
78.17785	44.7
98.97580	37.8
116.98616	100.0
146.42854	37.4
212.87775	40.4
215.40196	42.9
239.61119	45.3
258.69913	45.5
266.01401	47.0
277.73718	48.6
279.87048	44.1
301.73917	38.6
334.32745	50.1
365.05359	84.1
465.07285	58.6
944.96356	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	5.1
69.07074	18.0
70.13519	3.8
71.05001	4.4
71.08611	25.4
79.05502	17.3
81.03426	11.3
81.07047	64.2
83.05014	13.2
83.08623	23.3
85.02915	5.5
85.10211	12.0
91.05458	22.9
93.07064	20.6
95.04986	19.4
95.08601	34.9
97.02934	5.9
97.06541	6.8
97.10153	27.4
99.68570	4.4
105.07070	17.2
107.05012	13.0
107.08630	13.9
109.06534	10.9
109.10184	19.5
111.04435	11.3
111.08119	5.9
117.07034	8.5
119.08621	20.8
121.06503	10.9
121.10127	10.5
123.08124	15.9
123.11740	4.9
125.09690	16.2
129.07060	6.9
131.08578	10.8
133.10147	7.9
135.11757	10.2
145.10156	11.7
147.08122	6.3
147.11745	10.9
149.09703	7.0
153.09264	5.0
157.10324	5.8
163.11227	11.2
189.11182	8.0
215.51884	4.5
227.12749	12.7
243.42245	5.2
245.19012	5.6
273.18469	25.2
291.19479	52.0
299.07770	4.5
313.27350	100.0
347.22092	6.3
365.23239	29.5
382.54883	5.5
383.24432	17.8
603.46143	57.4
621.47101	41.7
674.93811	5.7
924.82599	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6297
Annotation	Unknow
Peak:m/z	Relative Intensity
68.19862	4.2
69.03415	5.1
69.07053	26.7
73.02866	4.0
79.05488	48.6
81.06605	6.7
81.07048	92.8
83.08611	12.2
85.02898	32.9
85.06500	3.7
91.03950	14.1
91.05468	60.0
93.07040	62.9
95.04974	9.1
95.08595	69.4
97.02887	12.9
97.06518	8.1
97.10153	5.6
97.19496	4.7
105.07026	45.3
107.08580	30.0
109.10137	21.5
111.85690	3.7
117.06996	23.4
119.08578	42.9
119.26580	4.6
121.10133	25.9
121.41605	4.7
123.11736	14.1
127.03916	6.3
128.06078	4.9
128.96037	4.0
129.05457	7.0
129.06998	10.0
131.08548	26.6
133.10106	32.5
135.11694	19.0
143.08542	9.4
145.04961	6.4
145.10129	22.5
147.11694	10.8
149.13235	9.8
157.10124	15.8
159.11671	10.9
161.13240	12.7
163.06079	5.7
163.14799	6.6
169.10143	5.2
171.11609	8.1
175.11157	5.0
175.14941	5.8
183.11708	6.0
185.13306	7.7
187.14810	6.9
188.25067	4.1
189.16364	6.6
199.14784	5.6
201.16460	11.8
203.17970	15.6
259.20575	6.1
267.21002	9.2
269.22699	17.1
285.22131	8.5
287.23605	14.1
335.25781	100.0
337.27310	54.3
359.25870	8.6
361.27478	9.0
621.48041	7.3
637.96204	5.8
639.49591	6.8
684.73059	5.9
783.84100	5.8
863.89209	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07042	25.1
71.75108	14.3
72.22868	16.7
73.32727	14.9
79.05491	46.6
81.07055	72.3
83.08603	16.2
84.63052	14.8
85.02889	19.5
85.38323	20.6
91.05489	66.4
91.71722	16.1
93.07044	62.7
95.08617	59.6
97.02894	19.3
97.06475	15.6
105.07017	46.8
107.08596	27.0
112.96130	16.1
114.28296	17.3
117.07028	21.2
119.08621	27.1
121.10155	29.0
131.08585	31.9
135.11638	21.5
161.13316	22.4
181.79201	18.5
192.96556	16.0
303.86258	18.5
334.29456	21.0
335.25809	100.0
476.69711	21.4
487.38599	19.8
632.05292	19.6
882.39777	21.4
979.60425	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	6.5
69.07049	14.8
71.08622	37.0
71.94392	3.2
72.61196	4.4
74.45966	3.5
74.51724	3.3
79.05482	8.1
81.03411	51.9
81.07049	37.4
83.04985	11.3
83.08617	29.2
85.02899	10.8
85.10176	17.6
91.05470	18.1
93.07047	13.0
95.04964	25.8
95.08594	32.9
97.10140	15.5
99.08086	5.9
105.07021	11.4
107.04951	4.5
107.08600	15.7
109.10169	15.2
111.04432	6.4
111.08044	7.2
119.08606	14.5
121.06490	4.7
121.10149	9.6
123.11727	8.1
125.09629	6.1
129.06973	5.2
131.08545	9.4
149.09601	8.6
157.10092	7.0
163.11301	6.7
165.12794	8.1
175.11278	6.1
193.12299	15.7
211.13266	19.0
267.15808	19.2
274.77856	4.9
275.20148	12.7
276.07159	5.2
285.16888	19.8
293.21063	32.3
313.27377	100.0
367.24695	15.1
505.38663	17.6
523.39856	88.7
605.47614	15.1
623.48621	30.0
683.58789	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07055	13.1
71.08626	37.7
76.11240	5.6
78.67259	6.1
79.05510	11.0
81.03412	32.3
81.07043	56.9
83.08605	27.5
83.67957	6.3
85.02903	17.0
85.10169	19.8
91.05473	21.5
93.07046	14.6
95.04951	17.7
95.08594	30.9
97.10154	13.6
105.07001	6.0
109.10146	41.8
111.08078	7.1
119.08582	14.5
131.08473	8.2
133.10062	11.4
162.42363	6.3
175.33350	6.6
185.01328	7.3
193.12250	18.5
211.13297	9.3
229.14407	29.6
267.15872	22.6
275.20123	10.3
285.16931	15.1
293.21127	34.8
313.27347	100.0
367.24802	10.4
467.37418	24.7
472.13043	9.1
505.38931	11.4
523.39563	60.7
579.67206	8.8
605.47705	11.3
623.49225	33.9
982.55554	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6457
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	3.5
69.07059	18.7
72.09705	1.6
73.02905	3.9
75.79430	1.7
76.02702	1.6
79.05481	16.2
81.03423	3.7
81.07050	55.3
83.08611	13.9
85.02901	15.2
85.06548	3.2
91.03957	7.9
91.05479	36.8
93.07025	26.5
95.04965	5.2
95.08598	43.2
97.02882	6.7
97.06512	2.9
97.10165	3.6
97.21983	2.0
105.07033	21.2
107.08624	10.5
109.10163	14.5
115.71449	1.7
117.07021	7.3
119.08566	17.9
121.10148	15.8
123.11719	3.3
127.03951	3.3
129.05470	2.5
129.06984	7.0
129.68748	1.8
131.08583	9.3
133.10126	12.4
135.11772	3.9
137.13295	3.0
143.08585	3.7
145.04913	3.3
145.10106	5.3
147.11685	5.6
157.10146	5.4
161.13318	5.3
163.06058	3.0
163.14806	2.3
171.11681	3.9
173.13290	3.4
175.11105	2.6
175.14841	5.1
177.03740	1.8
185.13277	4.5
187.14886	2.4
189.16431	3.5
199.14685	2.7
203.17982	12.6
204.08871	1.8
221.39783	1.9
245.22781	2.0
259.02954	1.8
259.24420	1.8
263.23706	2.0
269.22720	12.5
269.65567	1.7
285.22092	3.3
287.23599	16.5
329.04944	2.4
337.27347	100.0
361.27423	10.7
623.49969	3.3
641.51050	4.1
693.17737	2.3
848.42499	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07052	17.0
71.08620	34.0
71.63002	3.3
79.05473	16.0
81.07047	53.4
83.04958	6.1
83.08617	16.9
85.02921	4.5
85.10175	17.9
90.38827	3.5
91.03957	4.3
91.05468	16.1
93.07032	15.9
95.04977	5.0
95.08595	34.5
97.10169	7.1
99.08083	4.7
105.07018	8.8
106.32661	4.1
107.08588	13.2
109.10174	33.6
111.08037	5.1
117.06956	4.2
121.10139	11.8
129.78401	3.7
135.11746	4.4
149.13287	8.4
154.53911	3.8
222.52069	4.4
224.75497	3.7
229.14388	10.9
251.74666	4.7
257.68671	4.0
269.17520	15.5
277.21646	10.8
297.19119	4.9
313.27338	100.0
314.27322	4.5
351.25269	9.7
369.26242	5.5
467.37292	12.6
507.40323	58.8
589.47998	26.2
607.49158	11.6
611.80981	5.3
618.55841	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5699
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07062	15.4
71.08626	13.2
71.84171	8.4
73.02912	10.3
81.07034	26.1
92.56438	8.6
95.04945	9.7
97.02885	17.6
109.10112	25.6
112.95449	8.4
125.09635	9.2
167.16675	9.4
229.14320	15.2
313.27365	20.0
488.99307	11.5
814.28137	11.8
949.41803	10.8
985.56891	100.0
986.55115	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03397	9.7
85.02895	10.5
91.71683	19.1
97.02861	9.2
107.08575	9.2
159.90071	9.9
314.32339	13.6
496.77725	11.6
683.36401	12.1
946.38971	12.4
985.58008	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	6.6
73.04268	6.3
79.89203	5.5
81.07067	14.1
85.02909	10.5
89.71718	6.1
91.05489	11.6
95.08617	7.8
97.02927	7.7
99.04476	6.8
100.60316	5.5
241.50543	7.4
264.35416	6.4
755.98755	7.9
829.70679	7.1
889.21710	7.1
985.58453	100.0
986.57861	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5856
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50185	3.2
69.03424	9.0
73.02910	3.6
78.94278	3.2
79.84287	3.7
81.03416	3.7
81.07063	8.1
85.02924	11.3
92.22237	3.4
93.07044	3.6
95.08605	5.7
97.02909	9.1
101.02416	5.1
102.80552	3.5
110.41605	3.7
125.06281	3.5
128.96861	3.4
130.93138	3.3
130.94176	3.2
253.38571	4.0
259.24448	3.8
393.23157	4.2
405.13644	4.9
497.30841	5.1
659.36023	13.1
733.84668	4.9
761.03772	3.9
987.58563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03391	8.4
72.25406	7.7
77.62897	7.3
98.43898	7.9
149.31036	8.8
167.89232	12.1
183.40948	8.6
218.25500	8.8
219.61784	9.9
283.03836	10.5
294.46454	10.3
405.13806	10.7
411.96756	10.1
428.91437	10.0
497.31198	12.8
566.92755	11.8
659.35913	11.6
735.89301	9.5
852.66632	13.1
960.60632	10.3
987.58197	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.6008
Annotation	Unknow
Peak:m/z	Relative Intensity
68.92034	2.0
69.03429	7.5
73.02911	5.3
77.91171	2.1
81.03418	2.8
81.07069	7.5
81.67514	1.9
85.02885	10.9
90.50385	2.0
91.03952	4.9
91.05479	5.1
93.07051	4.0
95.08613	5.2
97.02886	11.1
101.02380	2.8
105.07018	3.1
107.08604	2.2
109.10157	2.1
127.03964	2.5
133.65964	1.8
161.84795	1.8
185.04230	2.6
242.78145	2.1
273.58743	2.1
342.87628	2.1
347.09573	2.9
405.13940	5.6
452.78247	2.7
484.12485	2.4
521.31049	5.8
545.30780	4.4
555.91357	2.2
638.68781	2.5
646.33807	2.5
683.36639	11.4
987.60114	100.0
988.61530	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	5.9
69.07069	4.0
73.02910	5.3
73.52750	3.4
85.02910	8.2
95.08620	5.4
97.02868	10.5
112.49985	5.2
160.72716	3.9
182.28296	3.9
353.23117	5.8
405.13602	8.3
497.30511	9.1
500.10095	4.5
511.77121	5.4
543.56769	5.4
571.30450	8.8
756.30054	5.4
989.59900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6334
Annotation	Unknow
Peak:m/z	Relative Intensity
73.65105	0.4
74.92893	0.4
76.52502	0.4
78.95744	1.7
79.95587	7.4
80.46135	0.4
86.27135	0.5
87.80968	0.5
88.38203	0.4
96.60726	0.4
96.93509	1.2
96.95866	100.0
96.98522	0.9
150.27702	0.4
234.89287	0.5
241.00174	0.6
308.44357	0.5
447.55203	0.5
460.10202	0.6
516.98895	0.5
898.41241	0.6
1001.63922	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02846	2.8
83.48145	0.8
96.41678	0.7
112.03906	1.0
118.21197	0.8
120.04427	2.2
122.05924	1.2
129.05429	1.5
134.10667	0.8
135.66029	1.1
136.07573	2.7
147.03203	1.0
148.03923	16.6
149.04770	4.5
150.05493	16.9
153.62895	0.7
154.05049	1.5
160.03931	1.8
161.04752	6.4
162.05501	2.3
163.02614	1.6
164.03424	4.0
166.08612	1.3
171.22473	0.8
173.03448	9.8
174.04250	15.1
175.05029	6.6
175.06371	3.1
186.05490	1.0
187.06314	1.9
189.06628	11.5
190.05005	1.6
190.05550	1.5
190.07393	18.5
191.08142	1.7
192.02905	1.0
200.07109	2.2
201.07936	2.5
202.07382	2.7
202.08881	1.9
203.04369	1.4
203.08195	1.2
214.11118	2.8
215.08289	2.7
217.07558	1.8
217.09811	3.2
228.06683	1.8
231.07692	15.7
232.08496	27.8
233.09306	6.2
240.09189	0.9
241.09747	2.0
242.08182	2.4
242.10573	1.3
243.07841	3.6
243.11320	1.4
243.15544	1.1
244.08632	7.6
245.07056	1.5
245.09128	4.0
246.07806	1.5
262.09628	2.4
267.07709	1.0
268.08597	1.3
284.75204	0.9
285.08893	3.7
286.09619	6.6
289.09521	2.0
303.10001	1.3
304.10651	2.3
315.13525	9.9
337.10803	1.6
340.13007	5.2
356.16235	1.3
369.14273	1.7
398.17197	13.9
409.17758	1.6
410.17236	4.5
428.18213	2.4
434.17303	1.7
452.18167	5.3
453.16840	2.9
467.16995	2.8
470.19348	54.2
471.19748	1.5
496.16882	0.9
503.19492	1.2
561.23730	3.3
591.24664	1.1
615.24646	6.4
633.25732	100.0
634.26361	2.1
649.83270	1.2
778.16284	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02828	2.4
90.33624	0.5
90.94563	0.6
96.40482	0.5
112.03908	0.9
115.19101	0.5
120.04395	1.3
122.05967	0.7
124.03883	0.7
129.05424	0.7
135.66029	0.9
135.66876	0.8
136.07567	2.9
138.05501	0.8
146.47395	0.6
147.03146	0.9
148.02809	0.9
148.03934	14.1
149.04715	6.1
150.05492	16.5
154.04967	1.9
155.04387	0.5
158.05923	0.6
160.03923	1.5
161.04729	5.6
162.05482	2.5
163.02591	1.6
164.03455	4.6
164.07019	0.7
166.08609	2.4
173.03477	9.1
173.04808	0.6
174.04245	16.7
174.05537	1.4
175.05011	7.1
175.06326	3.3
176.05830	1.1
177.06573	0.9
186.05469	0.8
187.06323	2.5
188.07126	0.9
189.06575	11.5
190.04941	1.1
190.07390	21.4
190.09084	1.1
191.05789	1.3
191.08183	2.0
192.02878	0.9
200.07065	1.9
201.07874	3.2
202.03683	0.8
202.07103	3.0
202.08762	1.9
203.05968	1.2
203.08176	1.3
213.06625	0.5
213.10231	1.2
214.11067	2.0
215.06143	0.9
215.08139	3.4
215.11867	0.5
216.06776	0.9
217.07448	1.4
217.09770	2.5
227.09398	1.0
227.77425	0.5
228.06587	1.8
231.07712	17.8
232.08496	26.6
233.09268	5.3
241.09708	3.0
242.08203	2.9
242.10603	1.6
243.07449	3.8
244.08604	7.2
245.06885	1.7
245.09328	3.4
246.07645	0.9
247.08556	0.6
255.07701	0.9
259.10901	1.3
261.08789	1.7
262.09622	2.1
263.10455	1.0
267.07785	1.7
268.08496	1.6
285.08847	3.6
286.06775	0.5
286.09631	8.5
287.07742	0.8
287.10556	1.4
289.09460	1.1
297.48352	0.6
303.09955	1.6
304.10715	1.7
313.12128	1.0
315.13525	11.2
318.11935	0.5
337.10565	1.4
340.13022	5.2
356.16220	0.8
369.14496	0.7
398.17236	15.4
409.17764	1.2
410.17401	3.1
411.15405	1.1
428.18320	1.8
434.17059	2.1
449.15939	1.2
452.18289	5.7
453.16653	2.7
467.17014	2.5
470.19333	56.5
471.19720	0.7
496.17365	0.7
503.19333	0.7
561.23895	3.1
591.24414	0.6
615.24475	6.2
633.25696	100.0
634.26117	2.3
670.06671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57232	0.5
54.90526	0.4
55.01751	9.2
57.03316	4.5
58.00460	4.8
58.99899	0.7
59.01243	61.1
59.02435	1.1
59.54454	0.5
59.78352	0.5
61.16570	0.5
71.01239	14.9
72.99167	3.4
73.02805	100.0
73.04446	1.6
74.03131	1.1
83.01240	3.2
85.99950	0.5
87.00778	0.8
92.70036	0.7
95.31177	0.5
100.99882	0.6
101.02306	40.8
102.05524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	6.6
57.03316	4.7
58.00461	5.2
59.00061	1.2
59.01241	60.9
59.02557	0.7
59.98396	0.6
60.01591	0.4
71.01241	11.9
72.02013	0.6
72.99169	3.9
73.01194	1.7
73.02804	100.0
73.04638	1.0
74.03128	0.8
83.01231	2.9
85.99940	0.6
87.00742	0.7
89.37593	0.5
100.01642	0.5
100.99693	0.6
101.02303	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
75.35768	0.3
78.95762	11.0
79.27857	0.2
83.04883	0.5
95.85992	1.0
95.86659	0.6
116.68623	0.3
117.64870	0.3
121.99982	0.5
125.22379	0.3
140.01067	4.5
145.64648	0.3
152.99464	1.1
155.93581	0.3
177.09108	0.5
177.16481	0.4
196.03719	2.1
203.23990	0.6
205.19554	1.5
214.04805	6.4
231.21176	0.5
259.24326	6.5
285.22256	0.6
303.23303	100.0
304.23608	2.1
374.93985	0.3
378.88168	0.3
500.27853	73.3
501.28403	1.7
793.32422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
76.83437	14.1
80.50726	12.7
83.32706	13.4
85.02802	100.0
86.57545	13.2
92.62270	12.2
102.83045	12.6
103.03857	71.9
103.81631	12.9
126.22845	13.5
140.79181	13.2
171.06526	36.3
177.76025	14.7
232.66211	16.5
238.89778	15.4
280.56500	15.7
314.51636	17.5
375.25708	16.9
407.08224	15.7
420.60886	15.4
529.20062	18.6
540.11304	16.5
807.18414	16.4
975.93414	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.455
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02805	100.0
74.11562	2.8
83.01234	28.4
85.02812	8.4
87.45938	3.2
89.02287	19.1
101.02306	99.9
107.04885	5.5
113.02289	34.7
119.03340	16.5
119.57614	3.5
125.02295	3.7
126.96573	2.8
131.03384	14.3
143.03401	11.7
149.04453	28.6
161.04443	39.5
203.05576	7.2
205.12262	31.2
221.06581	22.3
406.14890	3.7
849.64581	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32777	0.1
54.54557	0.1
57.03318	0.8
59.00066	1.9
59.01241	100.0
59.02568	1.2
60.01583	0.8
63.67913	0.1
87.63801	0.1
88.56052	0.1
103.01230	0.2
103.03869	13.5
104.42163	0.1
116.95840	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27039	0.1
57.03319	1.6
57.64808	0.2
58.99968	1.4
59.01242	100.0
59.02361	1.6
60.01574	0.9
62.12911	0.2
63.35073	0.1
69.59481	0.2
73.02795	0.2
78.31638	0.2
85.02805	0.2
95.57470	0.2
103.00319	0.2
103.03869	13.7
103.91888	0.3
104.04202	0.3
106.33035	0.2
110.43831	0.2
110.80363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02801	17.7
83.01227	7.3
85.02800	22.2
87.00741	11.0
88.47834	2.7
89.02294	64.9
97.02848	4.4
97.24714	2.8
101.02296	68.5
104.72656	3.0
113.02299	38.4
119.03352	27.6
125.02306	9.0
131.03360	7.5
139.03743	3.7
143.03413	10.5
149.04391	2.9
161.04446	11.7
179.05530	24.2
203.35872	3.0
221.06630	50.7
305.15851	3.9
316.32382	3.2
383.12042	14.9
449.20160	4.8
467.21469	11.9
493.74188	3.4
611.25293	5.7
629.26605	6.7
935.36041	83.7
953.37238	83.8
995.38354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
75.33263	0.2
76.07275	0.3
80.74738	0.2
85.00696	1.6
85.02805	100.0
85.04617	1.0
85.12920	0.2
91.72685	0.4
103.01064	1.0
103.03868	75.6
135.94826	0.3
171.00655	0.4
171.06535	31.5
189.07603	3.7
257.10355	1.0
275.11484	0.8
308.45389	0.3
343.13873	0.3
523.71204	0.3
541.68964	0.3
627.90619	0.3
909.24182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6796
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95762	14.2
85.37950	1.7
85.38477	1.4
119.29349	0.5
152.99463	2.9
157.98346	0.8
168.04221	3.7
223.27173	0.6
224.06909	8.5
242.08025	1.6
245.21411	0.7
255.23299	100.0
256.23471	0.8
365.95221	0.7
480.30991	82.8
481.31311	1.3
554.34424	3.9
624.80011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
73.55622	1.3
82.02862	2.2
89.74352	1.2
91.72733	1.3
96.95872	1.8
110.60701	1.2
114.32001	1.3
132.01414	1.1
136.07509	3.0
137.37570	1.4
138.46452	1.4
148.03914	12.1
149.04706	3.0
150.05510	13.2
154.04988	1.8
161.04706	4.3
164.03462	2.2
166.08603	1.7
173.03487	5.9
174.04218	13.9
174.05505	2.3
175.05035	4.0
175.06329	4.3
178.32056	1.4
187.06361	2.3
188.07111	1.8
189.06680	5.2
190.07394	15.2
191.08180	2.0
200.07127	1.4
201.07988	2.5
202.07330	2.3
214.11058	1.8
215.08241	1.9
217.07599	2.1
217.09753	2.3
231.07745	16.7
232.08504	21.2
233.09293	4.8
234.68283	1.7
242.08215	3.2
242.10435	2.2
243.07399	2.4
244.08548	5.8
245.09386	4.0
285.08835	2.9
286.09631	6.9
315.13589	8.2
340.13000	3.8
368.15927	2.2
398.17188	12.9
410.17108	5.7
428.18335	3.1
452.18219	6.6
453.17166	1.6
467.16876	3.0
470.19330	42.7
510.47366	1.6
561.23474	2.3
615.24731	3.8
633.25726	100.0
634.26514	2.9
767.37097	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
121.56253	8.6
127.85479	10.2
150.05493	16.4
158.55090	9.1
164.03485	9.0
166.38254	8.1
174.04395	14.9
187.21835	8.7
190.07422	32.1
231.07689	22.8
232.08557	27.8
237.08949	9.3
470.19327	51.8
633.25549	100.0
634.26074	20.6
635.26855	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.6522
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02790	1.3
81.45759	0.6
82.73544	0.7
83.01241	0.8
83.04875	0.7
85.02805	1.3
89.02282	4.1
93.48076	0.7
97.02789	0.7
101.02310	6.2
105.40887	0.7
113.02290	2.4
119.03331	1.6
143.03340	0.7
161.04437	3.0
179.05420	1.3
205.19753	0.7
235.08185	2.2
253.09270	26.5
259.24319	2.8
270.81717	0.8
271.94678	0.8
279.23291	100.0
280.23727	1.1
303.23300	84.4
324.62851	0.8
332.67279	0.7
844.29443	0.9
953.43781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95756	7.0
91.25660	1.4
91.26255	1.0
110.74695	0.5
152.99411	1.1
168.04213	2.1
224.06914	1.5
233.22655	0.6
242.07964	3.5
269.82388	0.5
277.21725	100.0
389.13257	0.7
441.61209	0.6
502.29431	86.6
503.29605	0.6
552.28925	3.3
564.03857	0.6
609.99371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.5
60.92815	0.2
62.91001	0.1
64.00525	0.2
65.01297	0.5
65.99696	0.7
73.98439	0.1
89.51868	0.2
95.04856	1.0
96.01931	0.2
106.04102	4.0
107.01611	0.7
107.04886	100.0
107.07732	1.4
108.02021	1.1
108.04413	1.5
108.05228	2.2
123.04385	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
76.40894	0.4
78.54523	0.3
85.02804	1.4
90.21478	0.4
101.02320	1.7
106.04112	1.9
107.01807	0.9
107.04885	85.1
107.07675	0.9
108.02035	0.5
113.02316	1.4
115.90963	0.4
123.04361	0.7
130.08607	17.6
130.09567	0.9
130.39729	0.4
141.91985	0.5
149.05888	0.6
151.03896	18.8
161.04477	1.7
161.05878	0.9
161.27831	0.4
180.16927	0.4
189.66490	0.4
197.16547	1.4
203.05550	1.5
212.12897	1.9
213.19659	1.7
237.26988	0.4
257.18701	100.0
258.18961	0.5
265.33789	0.4
311.11432	1.4
315.06015	0.5
355.10352	10.3
478.60623	0.5
627.31573	5.0
700.64258	0.5
850.12225	1.4
922.51495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.6346
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95754	4.3
89.01732	0.6
91.09568	0.5
91.79330	1.4
91.79920	0.7
109.61499	0.4
111.03165	0.5
132.22478	0.5
132.89091	0.7
152.99490	0.8
153.07391	0.6
168.04204	1.4
205.95985	0.5
224.06938	0.7
242.08018	2.2
279.23294	100.0
280.23495	0.7
315.62668	0.5
504.30984	70.5
505.31302	0.7
554.30194	3.2
622.23553	0.7
764.64978	0.7
1102.05786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00762	1.5
79.05379	10.7
81.03333	1.5
83.01237	29.9
83.04874	16.6
84.40662	0.8
85.02805	21.1
85.99969	1.0
87.00729	10.1
89.02304	23.1
89.02831	1.6
93.06971	2.3
95.01242	4.9
97.02856	3.2
97.06470	1.4
99.00750	4.8
101.02302	98.3
101.04903	1.3
107.04917	1.4
108.02055	1.2
109.02808	10.5
109.06484	2.0
111.00756	0.9
111.04376	6.3
113.02304	43.7
119.03358	10.4
119.08595	0.9
121.06482	8.5
123.04395	1.7
123.08038	5.5
124.57375	0.8
125.02314	6.2
125.05953	6.9
129.01892	1.1
131.03375	7.8
135.08037	6.3
137.09584	8.0
138.06796	3.3
143.03398	10.7
147.08119	1.6
149.04448	11.4
149.09604	17.0
151.07631	1.4
152.08339	5.1
153.09094	9.3
155.03468	2.8
155.60968	0.8
159.02956	1.8
161.04446	32.3
161.09718	1.5
162.06779	1.4
163.07596	1.2
163.11290	2.5
165.09105	6.0
167.10760	2.9
167.37430	0.8
169.02695	0.9
171.08000	2.1
173.09654	1.3
175.11163	1.3
179.05627	1.1
179.10666	4.0
187.11320	3.8
189.09166	0.9
191.10907	1.3
192.94125	1.0
193.26060	0.8
201.12843	3.5
203.05501	5.5
203.10684	1.3
205.12302	1.8
213.12776	7.4
215.10796	1.4
217.12306	1.7
219.13887	2.6
221.06538	4.0
225.11299	2.3
229.15984	2.2
231.13869	45.4
233.11981	0.9
247.17206	1.8
253.16103	1.4
271.04520	0.9
271.17053	58.4
287.16595	1.3
289.18124	42.9
315.14615	2.0
337.08640	1.5
370.54330	0.9
433.22305	20.1
451.23419	27.6
493.24463	100.0
494.25168	1.4
704.05859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
78.86236	0.4
82.02843	2.7
90.04933	0.4
94.25739	0.4
102.05484	1.1
106.06493	1.5
106.71275	0.5
108.04467	0.7
112.03841	0.5
120.04434	1.7
122.02312	0.5
122.05946	0.8
124.03944	0.6
128.03406	5.5
129.05414	0.5
134.05988	7.0
135.66055	0.6
135.66957	1.0
136.07559	4.2
138.05534	0.6
146.04507	2.0
147.03163	1.0
148.03922	14.1
149.04701	5.1
150.05495	16.2
154.04976	1.8
160.02661	0.4
160.03949	1.5
161.04730	5.0
161.07037	0.6
162.05507	2.1
163.02629	1.3
164.03426	4.4
166.08627	1.4
168.49260	0.5
173.03471	6.9
173.04781	0.8
173.07106	0.5
174.04243	16.7
174.05542	1.4
175.05006	5.8
175.06326	3.9
176.05780	0.9
176.07208	0.5
177.06647	1.1
178.05028	3.8
186.05473	1.2
187.06316	1.9
188.07132	0.9
189.06609	10.0
190.04962	1.0
190.07388	17.9
191.05768	0.5
191.08200	1.8
192.02939	1.1
200.07039	2.1
201.07869	2.0
201.10265	1.5
202.07129	2.8
202.08765	1.5
203.05983	0.7
203.08185	1.6
213.06612	0.5
213.10268	1.1
214.09206	0.5
214.11032	2.6
215.08185	2.9
216.06776	0.9
217.07399	2.2
217.09776	2.7
219.11328	0.6
224.07169	0.9
227.09583	0.9
228.06575	1.2
229.07559	0.5
231.05838	0.3
231.07718	15.0
232.08498	26.0
233.09293	4.1
241.09888	2.3
242.08234	2.8
242.10588	1.2
243.07373	2.7
243.09314	0.7
243.11238	0.6
244.08603	6.7
245.06912	0.9
245.09254	6.1
246.07669	0.9
247.08496	0.7
259.10776	1.2
261.08713	1.1
262.09546	1.4
263.10379	2.0
267.07776	1.4
268.08569	1.1
279.11276	0.5
285.08801	3.7
286.07028	0.4
286.09650	6.9
287.07693	0.7
287.10410	1.2
288.08701	0.6
289.08713	1.3
303.09821	1.7
304.10678	1.7
306.17639	0.5
307.09381	23.2
313.11786	0.6
315.13528	9.3
337.10788	1.1
340.12988	3.5
356.16196	0.5
368.16003	0.7
369.14551	1.3
398.17245	12.4
409.17676	1.0
410.17102	2.6
411.15625	0.9
415.19046	0.5
428.18094	2.1
434.17133	1.7
444.36282	0.5
448.17471	2.5
449.15851	1.2
452.18353	5.4
453.16763	3.0
467.17020	2.2
470.19351	45.2
471.19653	0.7
496.17276	0.8
503.19229	0.6
561.23242	2.6
591.24567	0.9
615.24878	5.5
633.25720	100.0
634.26294	2.3
653.08966	0.5
823.59131	0.5
966.75360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02840	2.8
96.04409	0.7
108.04410	0.7
110.05982	0.4
112.03906	1.0
120.04426	1.5
122.05978	0.7
124.03912	0.6
129.05443	0.7
134.05978	0.4
135.03143	0.4
135.66075	0.6
135.67006	0.6
136.07567	2.7
137.97025	0.3
138.01915	0.4
138.05482	0.9
139.02602	0.7
146.02382	0.4
146.06067	0.3
147.02144	0.3
147.03160	1.3
148.02972	0.3
148.03925	13.2
149.04716	5.8
150.05498	17.0
150.69928	0.3
152.03461	0.4
154.05011	1.7
154.06155	0.3
154.91588	0.3
157.29860	0.3
158.05951	0.5
160.03934	2.0
161.04730	5.7
161.07024	0.6
162.05502	2.1
163.02660	1.8
164.03441	4.7
164.07118	0.3
166.08656	1.8
172.03987	0.4
172.07571	0.3
173.03471	8.1
173.04712	0.8
173.05827	0.4
173.07196	0.6
174.04250	17.2
174.05534	1.4
175.02779	0.5
175.05028	6.3
175.06343	3.4
176.05849	0.9
177.06618	0.6
179.08258	0.4
186.05492	1.4
187.06291	2.4
188.07121	1.4
189.06615	11.0
189.10258	0.7
190.05003	1.5
190.07388	20.3
191.05827	1.2
191.08211	1.8
192.02975	1.0
200.07036	2.2
201.06470	0.3
201.07932	2.4
202.05426	0.6
202.07388	2.8
202.08760	1.9
203.05931	0.9
203.08237	1.0
204.06595	0.6
213.06627	0.6
213.10254	1.2
214.05048	0.4
214.09113	0.6
214.11026	3.0
215.06015	0.6
215.08206	2.7
215.11823	0.3
216.06618	0.9
217.07442	2.3
217.09821	2.6
219.11340	0.4
224.07169	0.6
225.08109	0.6
226.05086	0.3
226.08926	0.4
227.05946	0.3
227.09415	1.1
228.06746	1.5
229.07654	0.6
230.10559	0.4
231.07726	17.0
232.08507	25.6
233.06955	0.5
233.09270	5.5
240.09044	0.4
241.09842	2.4
242.08220	3.5
242.10687	1.3
243.07463	4.2
243.11150	0.4
244.08615	7.1
245.06915	1.3
245.09315	3.5
246.07698	1.1
247.08638	0.8
255.07564	0.5
259.10867	2.1
261.08868	1.5
262.09616	2.5
263.10483	0.7
267.07745	1.6
268.08691	1.7
269.06720	0.4
269.09399	0.5
270.07947	0.5
271.08505	0.5
285.08817	3.2
286.09680	6.8
287.10577	1.7
289.09540	1.0
303.09915	2.4
304.10651	2.0
305.11273	0.6
315.13522	8.6
320.61530	0.3
329.31653	0.3
337.10648	1.2
338.11371	0.5
340.12997	4.4
341.11292	0.3
356.16302	0.9
368.16428	0.6
369.14636	1.6
377.14017	0.5
380.16290	0.5
393.17975	0.3
395.15222	0.4
398.17236	16.2
407.14575	0.4
409.17953	1.8
410.17291	4.0
411.15869	0.9
428.18277	2.4
434.17285	2.2
449.15781	1.4
452.18259	6.4
453.16702	2.9
467.17099	2.9
470.19342	51.2
503.19537	0.6
561.23621	2.8
573.23578	0.4
582.00110	0.3
591.24530	1.0
615.24713	5.4
633.25732	100.0
634.26117	1.6
649.02869	0.4
929.70508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01288	2.5
85.02812	3.5
89.02294	22.5
93.26157	2.4
97.00600	2.8
101.02290	17.6
113.02319	10.6
114.30080	2.6
119.03398	8.3
119.04892	100.0
135.02910	3.9
143.03409	4.5
143.98079	2.5
157.66632	2.5
161.04474	8.4
163.03915	28.1
168.30811	2.6
179.05556	15.2
192.72444	2.9
200.36392	2.5
206.60648	2.5
221.06638	25.7
274.42389	2.6
282.17258	2.6
374.79639	3.4
383.12036	10.9
444.98703	3.5
545.17340	6.7
652.46710	3.1
973.30475	50.7
1091.33154	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05377	8.1
83.01223	26.8
83.04884	16.6
84.67243	5.4
85.02796	25.5
89.02315	16.4
99.00751	5.3
101.02306	94.6
109.02867	8.1
113.02309	44.4
119.03410	9.0
131.03374	6.0
135.08066	5.4
143.03362	9.6
149.04352	10.0
149.09570	10.1
153.08980	8.7
161.04491	27.1
167.47018	5.7
203.05554	5.7
218.76241	6.4
231.13864	27.7
271.17050	36.1
289.18045	31.5
324.24713	6.2
433.22498	16.7
451.23380	20.5
467.29971	27.2
493.24512	100.0
509.31451	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.6642
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95763	22.2
78.96205	1.8
84.67520	1.0
91.73353	1.3
91.79395	1.6
91.79875	1.4
101.63542	1.0
106.02660	1.1
116.21571	1.0
152.99463	4.5
168.04251	4.2
224.06900	13.7
236.54741	1.3
242.07924	2.0
271.40955	1.1
277.21640	4.9
279.23312	100.0
280.23547	1.2
303.23260	12.5
433.06396	1.2
486.75922	1.2
504.31024	96.0
505.31357	1.7
528.30939	35.6
571.73700	1.1
578.34924	2.9
681.25714	1.1
713.87286	1.3
756.71515	1.2
770.65265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6474
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95755	6.4
83.04879	0.2
91.25677	0.3
91.26256	0.2
91.68863	0.1
96.96808	0.2
127.07546	0.2
152.99490	1.9
159.26344	0.1
168.04216	1.6
171.00529	0.2
193.82996	0.1
196.14548	0.1
224.06937	1.2
233.22707	0.5
242.07936	3.3
251.32874	0.1
259.20721	0.5
275.20242	0.7
276.55496	0.1
277.21722	100.0
277.34476	0.8
278.22101	0.7
431.22372	0.2
502.29425	77.7
503.29553	0.6
517.25793	0.6
559.01141	0.1
576.33130	2.6
964.68945	0.2
1048.50098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1096.6937
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95747	5.6
127.21429	5.5
181.96893	6.8
198.44267	5.4
222.19240	5.5
252.58037	5.7
256.19257	6.0
281.24847	100.0
307.30258	6.1
506.32556	56.4
647.19293	6.9
946.46576	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6789
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95749	4.7
79.81892	0.5
91.12098	0.6
91.79348	1.4
91.79917	1.2
92.49423	0.6
96.95821	0.8
97.26720	0.6
152.99463	1.5
168.04221	1.5
224.06825	1.4
242.08025	3.0
242.10127	0.6
244.12764	0.7
259.84692	0.7
279.23300	100.0
280.23627	0.7
303.23239	1.0
342.57703	0.8
429.12982	0.7
504.31000	65.3
505.31488	0.8
528.30933	3.8
578.35040	3.0
869.74957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03280	1.1
110.15711	0.2
117.01810	0.5
117.03344	0.2
119.01300	1.2
119.04889	100.0
119.07997	1.0
120.05213	0.7
135.02892	1.6
151.88951	0.2
162.67760	0.2
162.98128	0.8
163.03900	89.9
164.04292	0.5
190.21037	0.2
191.74786	0.2
205.05040	0.4
281.06683	0.5
367.10352	11.5
443.12003	1.6
485.13031	39.4
486.13193	0.5
511.10760	0.2
529.12067	1.8
731.18414	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
81.00845	0.3
83.79080	0.5
85.55750	0.5
93.03312	1.4
119.01742	1.1
119.04888	100.0
119.08511	1.1
120.05165	0.5
130.08609	19.3
144.46712	0.3
163.03900	88.7
163.09665	0.9
164.04254	0.8
189.65674	0.3
205.05000	0.5
211.18105	1.6
220.32602	0.3
227.21255	1.4
271.20279	91.7
272.20660	0.5
295.46750	0.4
307.08319	0.4
321.93784	0.3
321.97537	0.3
342.31253	0.4
367.10352	21.8
368.10519	0.5
445.33408	0.4
510.35785	0.4
510.43115	0.4
539.15045	0.3
653.32794	1.0
862.29785	0.4
866.14484	0.4
887.68469	0.4
1045.34985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46795	1.1
55.01752	11.4
57.39509	1.1
66.94952	1.2
67.01749	32.9
67.57069	1.2
68.53320	1.5
69.73968	1.2
77.18990	1.3
78.95761	93.3
79.95573	8.5
80.96333	1.4
83.01241	37.5
85.02818	1.4
91.72682	2.5
95.93311	2.0
95.95107	3.2
101.25281	1.4
103.44040	1.3
106.65865	1.4
110.95681	2.2
110.97452	28.0
110.98264	2.9
111.00743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60649	1.2
55.01534	1.2
55.01754	11.6
60.39098	1.4
61.66081	1.2
67.01745	40.6
71.13239	1.2
78.95760	35.3
79.95593	2.6
83.00733	1.7
83.01237	29.7
83.01707	2.7
83.36755	1.2
85.02802	2.7
91.73111	4.8
110.95678	2.8
110.97447	16.2
111.00742	100.0
111.04371	1.6
112.01098	3.0
113.87373	1.3
116.78876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02865	2.5
96.90890	1.3
116.92446	1.0
117.18958	1.2
120.04417	1.4
135.03122	1.1
136.07616	1.4
140.06425	1.1
148.03926	10.6
149.04694	5.2
150.05490	13.7
154.05006	2.2
160.03868	1.7
161.04732	6.6
162.05452	2.5
163.02623	2.5
164.03461	3.7
165.34279	1.3
166.08682	1.9
173.03517	6.4
173.04825	2.2
174.04265	13.7
174.05602	1.7
175.05040	4.3
175.06364	2.9
189.06633	9.3
190.07388	17.2
201.07857	2.1
202.07416	3.2
203.08284	1.7
215.08237	3.2
217.07455	1.5
217.09875	2.6
231.07727	15.2
232.08498	21.6
233.09200	5.1
241.09824	1.6
242.08194	3.0
243.07614	1.7
243.09142	1.3
244.08250	7.5
245.06877	1.1
245.09344	2.8
251.60129	1.2
262.09576	1.9
267.07834	1.6
285.08844	2.7
286.09665	5.0
287.10574	1.4
303.09909	1.5
304.10672	2.0
315.13507	8.7
340.13217	2.6
384.26233	1.5
398.17300	12.6
410.17145	1.9
415.53259	1.3
428.18549	2.2
435.22308	3.0
440.83191	1.4
449.15964	1.8
452.18149	3.9
453.16791	2.0
470.19370	42.6
551.83173	1.8
561.23505	2.0
615.24371	4.4
633.25751	100.0
634.25037	1.7
655.23706	1.8
656.23822	2.8
657.24365	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03355	0.6
83.01232	0.6
85.02804	1.9
88.06290	0.6
93.03309	1.9
99.04383	3.3
101.02297	1.1
108.02039	9.0
109.02817	8.0
113.02304	1.5
121.02829	2.4
122.03605	36.5
123.04389	100.0
124.06260	0.6
127.03900	0.6
137.02319	6.2
149.05937	1.5
161.04453	1.0
165.05458	2.1
203.05562	5.5
207.06526	0.8
217.92572	0.6
267.08774	11.8
319.68747	0.6
327.10861	21.2
328.03391	0.6
357.26712	1.0
395.83163	0.7
431.30200	1.0
655.73853	0.6
764.71216	0.6
977.99658	0.6
1148.46289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1116.6598
Annotation	Unknow
Peak:m/z	Relative Intensity
77.86813	1.1
78.95757	15.8
83.61860	1.3
90.45243	1.1
91.26756	0.9
96.55614	1.2
113.24944	1.4
152.99445	3.6
158.89680	1.7
168.04211	4.0
224.06953	6.3
242.08031	3.9
259.24307	3.6
265.76108	1.5
277.21814	5.0
303.23282	39.7
317.89929	1.4
369.68201	1.6
424.98935	1.5
528.30988	100.0
604.41669	1.4
935.36511	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02817	2.4
89.02296	3.8
101.02317	8.3
119.03368	3.5
120.04409	5.9
146.02402	2.9
148.03920	21.8
149.04724	4.8
150.05484	21.3
160.03917	4.6
161.04741	13.4
162.05441	5.8
162.48570	2.7
164.03439	3.6
173.03474	22.9
174.04256	15.6
174.05592	2.8
175.05054	10.4
175.06396	4.6
179.05560	5.4
187.06349	5.8
189.06624	18.2
190.07368	20.0
215.08243	8.7
217.09744	6.2
221.06680	8.8
221.24960	2.9
228.30130	2.9
231.07710	16.9
232.08463	15.1
233.09421	5.4
241.09926	6.0
242.08148	3.2
242.40450	2.9
243.07733	5.8
244.08510	7.2
245.09340	7.4
245.98718	2.9
268.08554	2.7
285.09164	4.1
286.09601	4.6
303.10294	3.7
801.29108	5.4
884.33063	7.4
938.33447	13.3
939.32770	6.4
956.35303	56.4
1101.41113	18.2
1119.41418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02826	3.0
87.00730	1.4
89.02300	5.7
91.72767	2.8
101.02305	6.8
113.02313	3.5
119.03373	3.3
120.04431	4.9
124.25178	1.4
132.04419	1.3
135.03070	1.5
143.03548	1.4
145.03937	1.6
146.02342	2.5
147.03232	1.5
148.03922	21.7
149.04692	6.3
150.05487	22.0
154.05000	2.5
160.03960	3.8
161.04715	11.2
162.05508	1.9
163.02649	3.3
164.03383	3.5
172.07507	1.4
173.03470	19.2
173.04861	1.8
174.04237	16.8
174.05515	3.2
175.04999	13.9
175.06229	1.7
179.05516	3.7
187.06287	3.6
189.06624	15.9
190.07422	18.1
191.08176	2.5
201.07971	2.2
202.07222	2.8
202.08864	2.4
213.06694	1.9
213.10312	2.0
214.05168	1.5
214.11079	2.4
215.08272	5.9
217.07568	1.6
217.09818	6.0
221.06630	9.5
227.09589	2.3
228.06854	2.3
231.07722	13.8
232.08482	19.4
233.09355	5.7
241.09854	2.7
242.08221	2.4
243.07787	6.0
244.08617	8.9
245.09381	6.1
258.27914	1.4
259.10886	1.6
261.08896	2.4
267.07846	3.3
268.08505	1.9
285.08936	4.6
286.09595	6.1
287.10364	2.9
303.09869	1.8
339.24829	1.4
368.35464	1.6
383.12164	4.5
447.88458	1.4
465.57428	1.6
526.39880	1.8
566.70300	1.5
801.29315	5.4
884.32684	6.4
896.33374	3.3
920.33624	2.6
938.34021	12.5
939.32410	2.8
949.75781	1.7
956.35309	63.1
957.35968	1.8
982.31140	2.1
1047.38806	2.4
1101.40759	14.7
1104.59644	1.8
1119.41516	100.0
1120.41187	2.6
1121.68018	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
82.02840	3.2
86.89100	1.8
89.02290	6.9
101.02304	6.3
103.42583	1.9
108.81927	1.9
113.02299	4.5
114.16618	2.2
118.02950	1.8
119.03373	2.6
120.04417	4.8
122.05962	2.7
134.05994	2.2
136.07610	2.4
148.03917	24.7
149.04712	4.4
150.05501	21.4
160.03943	3.7
160.67159	1.8
160.79156	1.9
161.04715	9.7
161.21826	2.0
162.05498	3.7
164.03462	5.7
166.30742	1.7
167.94656	1.7
173.03447	19.7
174.04272	17.3
174.05588	3.1
175.05035	11.8
175.06287	2.7
179.05583	5.0
186.05527	2.5
187.06264	2.7
189.06592	20.7
190.07373	18.9
191.08194	2.4
200.07101	3.0
215.08212	8.1
217.07625	2.9
217.09834	6.4
221.06645	8.8
225.08231	2.1
228.06604	2.3
231.07706	14.8
232.08507	17.0
233.09335	5.6
237.72778	2.2
240.09067	2.0
241.09805	3.6
243.07822	7.2
244.08603	6.4
245.09384	4.3
247.49945	1.9
259.10785	2.2
285.08887	6.8
286.09567	4.0
287.10352	4.0
383.11841	3.6
426.31003	2.0
493.85727	2.2
501.41736	2.3
801.28900	3.7
884.32544	6.1
909.86163	2.1
920.32312	4.1
938.34558	12.1
939.32495	2.9
956.35040	54.5
956.53503	3.8
1101.40344	13.5
1119.41382	100.0
1120.42102	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1120.6918
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95761	4.5
79.57886	0.4
83.44680	0.4
84.66407	0.4
92.32944	1.2
99.30662	0.4
112.77648	0.4
126.67453	0.4
152.99445	1.4
154.33417	0.4
158.89433	0.4
167.59605	0.4
168.04179	1.3
216.02966	0.4
224.06886	1.0
229.34669	0.5
242.08022	2.7
253.09346	0.6
281.24863	100.0
282.25238	0.9
303.23352	2.6
326.76111	0.4
506.32523	63.8
507.32996	1.1
580.36285	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
78.42568	0.4
79.08484	0.4
85.00929	1.0
85.02804	100.0
85.04951	1.5
91.54923	0.4
103.03868	76.4
103.06683	1.0
104.04180	0.4
127.44048	0.4
128.90379	0.5
166.44368	0.4
171.06534	34.2
189.07628	3.9
207.53040	0.5
232.10597	0.5
243.33287	0.4
257.10318	1.5
275.11417	0.5
596.51385	0.6
756.70013	0.4
826.48969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12354	1.3
59.01235	4.8
59.57775	1.3
60.34948	1.4
70.99639	1.7
71.01239	100.0
71.49187	1.3
72.00772	2.6
87.00736	11.2
93.03585	1.4
94.81683	1.6
114.93269	2.6
115.00224	10.0
116.07021	12.1
124.10979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	7.2
64.49366	1.2
69.13882	1.2
70.38285	1.3
70.99636	1.8
71.01239	100.0
78.95772	1.5
81.63210	1.3
87.00740	14.1
91.73316	3.1
93.73614	1.6
97.93016	2.3
114.93301	5.6
115.00243	12.1
115.03887	2.1
116.07043	17.5
129.14641	1.4
133.02824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90523	0.2
51.25148	0.2
55.01744	0.2
59.01235	0.5
61.29337	0.2
71.01241	0.3
73.01015	1.3
73.02803	100.0
73.04356	1.5
74.02325	0.3
74.03126	1.1
81.89655	0.2
99.00091	0.4
99.00736	9.1
99.92434	1.9
105.75243	0.2
106.27525	0.2
115.80301	0.2
116.92719	4.4
117.01798	17.9
117.05029	0.3
118.02113	0.2
135.25925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1178.6607
Annotation	Unknow
Peak:m/z	Relative Intensity
81.77838	0.5
95.85983	1.2
103.10421	0.5
140.01086	3.4
149.57913	0.5
152.99469	1.4
171.00540	0.6
173.03070	0.5
182.11073	0.5
196.03691	1.1
203.23953	1.1
205.19540	0.9
214.04807	3.7
233.04163	0.6
238.29134	0.5
259.24295	2.0
303.23297	100.0
330.87360	0.5
500.27832	59.6
818.35602	0.7
844.44403	0.8
926.82550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.509
Annotation	Unknow
Peak:m/z	Relative Intensity
117.78396	1.5
136.07559	5.1
142.27083	1.1
150.05473	1.5
166.08694	1.7
171.82753	1.2
175.84221	1.1
187.08687	2.3
213.10225	2.2
214.11137	1.9
215.08250	4.9
215.11864	19.3
223.08852	2.4
226.07268	1.3
239.08304	2.1
240.08888	1.3
241.09796	56.4
242.10382	1.5
259.10904	9.3
268.08636	1.7
285.08865	9.8
286.09796	3.0
302.15176	1.2
303.09875	32.4
314.79935	1.3
315.85043	1.2
319.14633	1.8
347.17538	1.9
391.16656	4.2
409.17923	1.8
452.18228	4.5
466.16156	4.5
470.19391	20.5
496.17734	1.3
499.30692	1.3
615.24506	1.4
633.25720	100.0
634.25922	2.1
643.98425	1.4
1052.26831	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.1
55.27340	0.3
55.71683	0.2
58.00459	1.7
58.99937	0.9
59.01241	69.5
59.02404	1.3
70.99510	1.1
71.01237	100.0
71.02802	1.6
72.01585	1.1
72.99162	5.8
72.99535	0.5
73.02802	5.6
74.02318	1.0
74.03128	0.4
75.00724	2.6
75.02682	0.9
75.03212	2.2
75.31250	0.3
83.01233	4.4
87.00739	0.6
87.08190	0.7
89.02289	5.9
99.00739	0.9
101.02307	3.8
101.92258	1.5
101.92854	0.4
118.92504	2.6
118.93258	0.5
119.02303	1.5
119.03343	8.5
119.04869	1.2
121.95701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	6.6
58.00447	1.2
59.01242	87.1
59.02403	1.8
60.62330	0.9
69.79992	1.1
71.01239	100.0
71.02790	1.9
72.01589	1.3
72.99163	4.0
73.02796	9.9
75.00726	1.8
75.03208	1.6
76.73954	1.0
79.62518	1.1
83.01231	6.6
87.00748	2.1
89.02289	5.5
93.03316	2.9
97.05335	1.3
99.00752	1.5
101.02299	7.5
101.92256	4.0
104.53641	1.2
118.92513	9.7
118.93283	1.5
119.02370	3.7
119.03442	21.0
119.04890	92.3
119.08212	1.4
120.05251	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.6
58.00446	1.5
59.01242	68.0
59.02448	1.2
68.25641	0.8
71.01237	70.2
71.02848	1.3
72.01563	1.2
72.99154	3.2
73.02798	5.8
83.01234	3.1
84.59743	1.1
87.00713	1.1
89.02292	4.5
93.03309	3.8
101.02285	4.7
101.92260	3.5
117.03275	0.9
118.92526	7.3
118.93283	1.0
119.00938	1.0
119.02383	3.3
119.03385	11.6
119.04890	100.0
119.08360	1.4
120.05221	2.3
135.25784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53815	0.7
51.29332	0.6
52.77016	0.6
54.92509	0.8
55.01750	5.0
58.00445	2.7
58.97346	0.7
59.00053	1.5
59.01243	85.6
59.02547	1.1
61.33689	0.6
62.92006	0.7
70.99680	1.9
71.01240	100.0
72.01558	1.3
72.99166	4.4
73.02811	5.1
75.00719	0.9
80.31203	0.8
83.01243	5.1
87.00724	1.4
89.02311	6.3
91.05418	1.1
93.03311	3.1
93.96949	0.9
98.30147	0.8
99.00733	1.2
101.02298	6.3
101.92274	3.1
101.92857	0.8
104.02557	0.9
118.92501	7.8
118.93092	1.5
119.01532	1.4
119.02412	2.8
119.03445	19.8
119.04891	88.9
120.05257	2.4
125.74965	0.8
129.43391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
59.00970	0.8
59.01240	12.3
63.64818	0.5
71.00876	0.9
71.01242	12.6
73.02813	1.4
82.67367	0.5
89.02281	1.0
93.03307	3.4
98.93626	0.6
101.02320	0.7
102.17090	0.5
118.92519	1.2
119.01530	1.3
119.03413	2.8
119.04892	100.0
120.05228	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12582	0.3
54.30255	0.4
55.01744	1.2
58.00452	0.4
59.01242	21.6
61.67058	0.4
61.74098	0.4
65.03822	0.4
71.01240	24.9
71.02859	0.5
72.99168	0.8
73.02808	2.3
75.26820	0.5
79.03276	0.4
83.01223	1.5
89.02302	1.7
91.05393	0.9
91.64291	0.5
91.72689	0.8
92.01272	0.5
93.03333	3.3
101.02291	1.9
101.92279	0.9
111.11921	0.5
118.92549	1.8
119.03407	4.7
119.04890	100.0
119.08405	0.9
120.04493	0.5
120.05196	2.5
121.08546	0.4
122.91321	0.5
124.38148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13430	0.6
55.01752	4.9
58.00447	0.9
59.00010	1.2
59.01241	68.1
59.62080	0.8
61.36110	0.6
61.98690	8.3
66.67973	0.6
70.99588	1.4
71.01239	82.1
72.01567	1.0
72.99158	2.5
73.02807	6.7
75.00744	1.0
78.03838	0.7
83.01238	4.2
87.00725	1.7
89.02306	4.4
91.05378	1.0
93.03313	3.2
101.02306	5.8
101.92264	4.2
101.92860	0.8
118.92508	10.1
118.93201	1.9
119.01428	1.5
119.02370	2.3
119.03484	16.3
119.04890	100.0
120.04397	1.2
120.05244	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82934	0.8
55.27652	0.9
62.04696	0.9
68.82542	0.9
68.97075	0.9
73.54198	0.9
92.68457	0.9
93.03333	2.7
114.15990	1.1
120.98950	1.1
121.02820	100.0
121.06284	1.6
122.03130	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25098	0.8
67.01746	1.7
68.99690	3.0
71.33276	0.8
94.02863	2.2
95.01242	38.3
95.03226	1.0
96.04428	1.0
98.77677	0.9
104.94037	0.8
108.02028	35.4
109.02879	1.5
122.00043	1.4
122.03603	100.0
122.07655	1.0
123.00754	26.1
123.04418	57.7
124.03935	3.3
124.04726	1.4
127.03770	0.8
137.02328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.034
Annotation	L-Pyroglutamic acid
Peak:m/z	Relative Intensity
54.24689	0.5
56.24753	0.4
57.03307	2.1
59.01237	0.8
64.24638	0.4
67.01750	2.6
68.99699	0.5
71.01258	0.9
73.02779	0.7
82.02840	2.8
83.01228	0.9
84.04401	1.4
85.02803	14.1
85.06447	0.5
85.06962	0.5
99.00719	0.9
101.59665	0.6
110.02384	0.6
128.03409	100.0
128.07317	1.4
129.01801	2.5
129.03743	2.4
130.33862	0.5
137.92831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.086
Annotation	L-Leucine
Peak:m/z	Relative Intensity
50.98157	0.4
57.03312	1.5
59.01235	1.5
63.91599	0.4
68.16607	0.5
69.03315	0.5
71.01241	1.3
73.02799	4.8
83.01270	0.4
84.08038	0.6
85.02802	2.8
86.03123	1.0
86.05971	0.6
87.04385	0.9
88.03902	3.1
101.02303	1.3
113.02301	1.2
130.08609	100.0
131.08981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	8.3
58.02845	8.7
59.01228	5.8
69.03284	1.8
70.02837	51.2
71.01238	20.9
71.02360	14.1
72.00374	2.2
72.00760	26.6
73.02802	23.2
75.00723	3.6
83.01211	2.1
83.06007	1.5
85.02808	30.1
85.06429	1.4
87.04374	7.5
88.03896	59.9
89.03420	10.8
95.02367	25.3
96.00784	2.2
101.02306	6.8
111.01833	7.1
113.02275	3.6
113.03428	59.6
114.01831	100.0
115.00233	11.8
131.03380	11.1
131.04498	18.4
131.08138	65.8
132.02893	17.1
133.93378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82873	0.3
54.07183	0.3
59.01240	2.8
59.02364	0.4
70.02844	0.9
70.99493	0.7
71.01238	68.7
71.02788	1.3
72.00763	48.8
72.02347	0.8
72.99162	11.2
73.01122	0.3
86.02341	0.4
87.00741	1.1
88.01487	0.7
88.03895	91.3
88.06030	1.5
88.34308	0.4
89.02300	7.2
89.03419	88.2
89.05585	1.4
90.03764	0.8
91.72758	0.5
114.01842	4.6
114.03785	0.6
114.96629	0.8
115.00235	100.0
115.03419	1.2
132.02902	28.8
133.01303	19.3
133.05023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.3
61.98683	0.4
63.80214	0.3
65.85701	0.3
70.90611	0.3
70.99461	0.6
71.01238	62.4
71.02813	1.0
72.01589	0.3
72.99164	15.2
73.00768	0.3
75.26536	0.3
87.00737	1.1
89.02295	7.0
98.60370	0.3
100.41521	0.3
115.00234	100.0
115.03480	1.6
116.00547	1.0
116.45674	0.4
133.01300	28.3
134.01614	0.5
145.75505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92737	0.3
59.01237	1.4
70.99568	1.0
71.01237	64.0
71.02681	0.9
72.01569	0.5
72.99165	13.7
73.47802	0.3
87.00729	1.4
89.02298	7.6
89.69569	0.3
91.72894	0.9
99.88478	0.3
114.96815	1.1
115.00232	100.0
115.03203	1.2
116.00561	1.9
124.76169	0.4
133.01303	27.0
134.51244	0.3
150.29430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30740	0.3
54.62280	0.3
56.17390	0.3
59.01233	1.4
62.49853	0.3
70.99474	0.7
71.01239	68.9
71.02840	1.1
72.01564	1.0
72.99166	15.0
87.00732	1.8
89.02299	8.6
115.00237	100.0
115.03548	1.4
116.00578	1.5
119.09650	0.4
133.01305	28.6
134.01651	0.6
143.59142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48296	0.4
52.93963	0.5
59.01240	10.2
62.13493	0.5
71.01240	4.2
72.99165	14.5
73.02791	0.6
75.00731	100.0
75.02422	1.8
76.01084	0.6
76.81028	0.4
84.37429	0.5
87.00728	1.6
89.02292	9.8
91.72748	0.8
107.04906	1.8
117.01791	2.6
131.67545	0.5
134.03630	2.0
134.89345	11.1
135.02876	37.6
135.04408	17.3
147.81772	0.5
147.99660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43474	0.3
56.46100	0.2
59.01243	10.2
59.13094	0.2
60.99167	0.3
69.93120	0.3
71.01237	4.5
72.97466	0.3
72.99165	13.7
73.02794	0.3
74.99047	1.7
75.00731	100.0
76.01078	0.8
87.00729	1.2
89.02296	9.7
99.00736	0.6
117.00918	0.4
117.01785	2.8
128.36678	0.3
134.22121	0.3
135.02872	34.2
136.03183	0.5
146.11073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97736	0.4
59.00971	0.8
59.01243	10.0
66.66546	0.5
71.01241	3.6
72.99168	15.5
73.02839	0.5
74.99067	1.9
75.00732	100.0
75.02608	1.1
75.86649	0.5
85.02789	0.5
86.42124	0.5
87.00715	1.5
87.72456	0.5
89.02299	9.8
91.05375	0.6
93.03351	0.6
99.92489	1.0
106.04119	1.5
107.04906	2.6
108.34415	0.5
117.01810	2.4
126.26991	0.5
134.03636	3.5
134.86386	1.2
134.89354	15.6
135.02879	35.4
135.04413	30.1
135.05475	0.9
136.03951	0.7
136.04866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94096	0.4
59.01243	10.1
59.93873	0.4
71.01244	5.9
72.99162	14.4
73.02808	1.0
73.70918	0.5
74.99060	1.7
75.00730	100.0
75.02615	1.2
75.06935	0.5
76.01056	0.8
87.00732	1.5
88.32034	0.5
89.02297	10.4
89.03802	0.8
91.02899	0.5
91.05339	0.9
92.04916	0.7
93.03313	1.4
95.04794	0.5
99.00710	0.6
99.92453	3.5
106.04099	2.1
107.04882	6.7
108.02036	1.4
108.04416	0.7
117.01808	2.4
117.03308	0.7
123.04351	0.9
134.03618	10.0
134.85388	0.9
134.86440	4.1
134.89348	51.8
135.02866	33.2
135.04398	85.2
135.89346	2.9
136.04768	2.3
154.70201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	7.9
60.87944	0.7
63.04095	0.7
63.90862	0.6
71.01251	4.3
72.99169	8.7
75.00729	64.3
84.29947	0.6
87.00748	1.3
89.02296	5.2
92.04906	3.5
93.03316	4.7
99.92424	7.0
106.04125	1.8
107.04887	9.6
108.02026	2.3
108.04443	1.2
110.38653	0.7
112.83527	0.7
117.01793	2.1
117.03298	1.0
123.04414	1.2
134.03610	8.7
134.86424	7.3
134.89345	100.0
135.02856	25.3
135.04393	83.2
135.89365	3.3
136.01517	1.1
136.03899	2.7
136.04764	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0232
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
53.53729	0.2
53.55797	0.2
61.70327	0.2
65.03823	0.8
67.26884	0.4
80.29713	0.2
81.03315	0.8
93.03315	100.0
93.05626	1.5
94.02877	0.2
94.03081	0.3
94.03639	2.2
108.02033	1.5
109.02812	3.5
119.01284	0.3
136.01540	2.3
136.89069	0.4
137.02324	39.5
138.02678	0.7
141.94554	0.2
146.49243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75021	0.5
53.63131	0.5
58.35865	0.6
65.03817	1.1
65.07232	0.5
65.80878	0.5
67.01724	0.6
67.25610	0.5
81.03311	3.2
82.18966	0.5
93.03313	100.0
93.04467	2.8
94.02839	1.4
94.03650	2.1
94.58364	0.5
95.01223	0.9
106.04105	20.5
107.04902	5.3
108.02029	6.4
108.04470	0.9
109.02811	8.9
110.02291	0.6
119.04891	21.8
122.03664	0.9
135.04401	2.2
136.00203	0.6
136.01546	1.3
136.86212	0.6
136.89055	11.1
137.02339	35.2
137.05959	86.8
138.01891	1.6
138.03058	1.0
138.05402	0.9
138.06337	2.1
158.07196	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0185
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01754	0.5
55.53926	0.3
64.17606	0.3
66.03346	0.9
67.01742	1.6
68.99659	0.5
69.03301	0.4
76.53830	0.3
79.95615	0.4
81.66309	0.4
83.01241	0.8
93.03350	1.9
94.02834	3.2
94.03646	6.7
95.01199	0.5
95.02368	0.4
95.04900	0.8
96.05546	0.6
107.74321	0.3
107.98917	0.6
108.02029	52.6
108.04416	1.5
108.05514	0.9
109.02373	1.2
110.02363	0.8
110.03159	0.5
111.00725	3.6
111.04381	0.5
120.04366	0.5
123.03100	0.7
128.55141	0.4
137.89072	1.1
137.97345	1.1
138.01843	100.0
138.05435	1.9
139.00278	2.1
139.02182	2.0
139.03874	2.1
148.82974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00178	3.4
55.01756	6.4
56.05024	1.0
57.03316	18.4
59.01016	1.0
59.01244	13.2
67.01775	1.2
68.99663	3.4
69.02953	1.4
69.03315	18.5
70.99619	1.4
71.01237	100.0
71.04885	2.8
72.99172	6.4
73.02793	9.0
75.07800	1.0
75.49186	1.0
80.99676	1.9
81.03327	6.3
83.01246	7.2
84.02036	1.2
85.02805	67.6
86.03137	1.2
87.00724	18.8
87.04372	12.6
95.01249	4.5
96.99166	7.5
97.02813	17.0
99.00749	2.2
99.04372	6.9
100.00291	1.2
101.02328	4.6
112.98664	8.7
113.02311	12.0
115.00243	2.0
115.03853	3.9
124.98682	23.0
125.02316	17.2
140.98184	4.1
142.99745	31.3
143.03381	18.8
145.84842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00177	1.5
55.01758	4.8
57.03317	18.9
58.00462	0.9
59.01240	14.0
62.58323	0.8
67.01743	1.3
67.52370	0.8
68.99671	3.1
69.03313	19.8
71.01240	100.0
71.02845	1.5
71.04868	3.2
71.89346	0.8
72.01584	1.0
72.99172	6.6
73.02801	8.7
75.39061	0.7
81.03300	6.2
83.01245	7.2
84.02013	1.3
85.02806	70.4
86.03102	1.1
87.00730	18.5
87.04370	15.3
87.51375	0.8
95.01260	4.8
96.99173	2.5
97.02808	18.3
99.00763	1.0
99.04376	6.4
101.02296	6.1
112.98690	4.6
113.02309	10.5
115.00248	2.0
115.03866	3.4
124.98676	10.1
125.02317	20.4
125.61313	0.8
140.98175	1.7
142.99754	16.7
143.03386	18.1
157.10973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93108	0.4
55.01751	0.8
55.07322	0.4
55.59426	0.3
57.03314	6.9
57.79227	0.3
58.00461	0.5
59.01241	5.4
59.36774	0.3
61.98688	0.5
67.01744	0.8
68.33737	0.3
68.99680	1.1
69.03311	7.0
71.01239	34.2
71.02772	0.6
71.04873	1.3
72.97374	0.7
72.99165	56.6
73.00793	1.1
73.02805	3.7
80.64899	0.4
81.03314	3.3
81.06963	0.5
83.01233	3.4
83.04889	0.4
84.02025	1.0
85.02807	24.6
87.00735	4.0
87.04370	7.1
87.05808	0.4
88.85349	0.3
91.73357	0.5
95.01250	1.2
95.04878	0.5
96.22559	0.4
97.02819	6.9
97.06448	46.2
97.08911	0.8
97.59010	0.3
98.06774	0.9
99.00729	0.6
99.04375	2.6
99.08021	2.0
101.02325	2.6
102.44675	0.4
113.02316	7.4
115.03875	2.0
125.02333	8.4
125.05954	100.0
125.09579	1.3
126.06299	1.9
138.18373	0.4
143.03377	11.6
143.07018	29.9
143.10622	0.7
144.04463	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39850	0.5
53.88134	0.6
58.02832	7.1
63.82594	0.6
64.83353	0.6
67.02864	2.4
70.02811	0.9
71.01232	1.2
72.00765	4.6
72.04398	1.0
72.99147	1.0
74.01944	1.3
74.02328	16.8
82.02836	5.7
84.04403	24.1
85.02792	1.7
86.02322	3.3
97.03917	1.9
98.02337	2.5
99.05488	4.7
100.03875	1.0
101.07075	12.0
102.05466	100.0
102.08183	1.7
107.02383	1.3
109.03938	29.2
125.03432	8.0
127.05003	52.7
128.03403	66.9
145.06071	44.2
145.09718	6.3
146.04474	19.2
146.06297	1.1
150.05756	0.7
163.25948	0.8
164.75780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63849	0.3
52.92943	0.4
57.03307	1.0
59.01237	1.3
63.95618	0.4
66.14837	0.4
68.04042	0.4
71.01242	1.9
71.04881	0.8
71.93339	0.8
72.99176	0.5
73.02798	1.4
81.03328	1.3
83.04873	3.1
85.02784	2.6
87.00719	0.9
97.06461	1.6
99.04394	1.4
99.05215	1.2
99.08014	100.0
100.08341	0.7
101.05949	2.8
127.03903	0.8
127.07525	2.9
143.07024	1.8
145.03830	0.8
145.04926	3.0
145.08586	47.0
146.02357	0.8
146.08891	0.7
146.53506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82550	0.2
56.92915	0.3
57.03281	0.2
59.01239	2.7
65.79868	0.2
71.01225	0.8
72.00763	0.4
72.74017	0.2
74.02339	1.3
75.00718	0.4
80.77246	0.3
82.02825	0.7
83.24844	0.4
84.04393	1.0
85.02813	1.5
87.83685	0.3
99.00739	0.3
100.03906	0.4
102.02557	1.2
102.05466	100.0
102.07974	1.2
103.05802	1.3
110.04274	0.5
127.99352	0.5
128.03407	43.2
128.05371	1.0
129.01796	0.4
129.03745	1.0
133.19315	0.2
146.04474	22.1
146.06389	0.8
147.02872	0.3
147.04803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	23.1
58.00465	1.5
58.99987	1.0
59.01244	61.7
59.02368	1.0
60.15337	0.5
61.53378	0.5
62.98457	0.5
67.01747	1.8
70.38393	0.5
71.01242	18.7
72.99165	3.6
73.02814	1.0
75.00732	16.4
79.50191	0.6
83.01241	3.4
85.02809	67.4
86.03158	1.0
86.98477	1.4
87.00735	100.0
87.02773	1.1
89.02298	5.2
99.00741	10.5
101.02308	6.9
101.05949	1.7
103.03868	11.5
111.00745	2.1
117.01808	1.6
119.03329	0.8
129.01819	20.8
146.97826	0.6
147.02884	45.6
147.06494	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54900	1.1
55.01739	1.7
57.03324	8.6
57.82268	1.4
58.00454	1.8
59.00088	2.0
59.01242	100.0
61.98406	3.0
61.98696	39.8
65.41933	1.5
67.01724	2.0
68.99674	1.5
70.02861	2.9
71.01238	53.2
71.04870	2.4
72.99156	7.4
75.00731	33.6
81.18142	1.6
83.01256	4.9
85.02787	6.3
87.00724	8.3
89.02297	11.5
99.00741	25.2
101.02308	4.2
101.05946	1.9
105.01781	2.7
111.00749	6.5
117.01802	3.2
119.04887	5.4
120.06519	1.9
129.01833	8.9
147.01944	3.2
147.02937	7.9
147.04405	92.5
147.06389	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46945	0.6
54.17684	0.6
55.01766	1.0
57.03315	2.7
58.79702	0.6
59.01243	30.8
61.97326	1.6
61.98694	100.0
61.99915	1.7
67.01781	0.8
68.99696	1.1
71.01238	21.7
72.99163	1.9
75.00729	12.6
79.69878	0.7
83.01247	1.5
84.99194	1.0
85.02811	2.5
87.00735	3.0
89.02308	3.1
91.55076	0.7
93.79122	0.7
99.00736	12.8
101.02314	1.8
105.01801	1.8
129.01814	3.2
147.01891	1.0
147.02884	2.8
147.04408	1.8
147.05453	1.1
147.11682	21.1
159.40932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	3.3
59.01241	38.4
60.27441	0.8
61.97270	1.2
61.98693	100.0
61.99950	1.8
63.55193	0.8
66.67353	0.7
67.01744	1.5
68.37009	0.9
68.99683	1.6
70.02825	1.1
71.01241	20.6
72.99179	1.7
74.98777	0.9
75.00730	13.4
83.01234	1.3
85.02805	2.9
87.00726	2.8
89.02321	2.4
91.62959	0.8
99.00736	13.8
100.02634	1.0
104.06287	0.8
105.01804	2.2
117.61605	0.9
129.01833	2.5
147.01843	2.2
147.02873	3.5
147.04411	2.5
147.06528	1.1
147.11668	16.0
148.03918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.5
59.01243	11.3
63.02255	7.1
65.00185	100.0
66.03326	2.8
71.01238	14.2
72.92330	1.2
73.02796	11.0
79.58340	1.3
81.03327	1.9
82.95385	1.4
82.99273	1.5
83.01239	44.1
85.02808	2.1
89.02284	8.6
95.01263	4.5
96.53079	1.5
96.98723	2.8
101.02316	12.4
106.75618	1.5
107.01248	78.0
107.04900	25.4
107.47626	1.4
108.02042	7.9
108.04379	7.6
108.99194	2.2
109.02840	3.3
117.01817	2.0
122.03603	3.9
123.00784	2.3
123.04404	13.5
136.01546	31.0
150.96234	2.1
151.00255	37.8
151.03900	39.3
151.04932	3.0
151.06017	7.3
151.07413	3.0
152.03333	2.0
169.01309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	p-Anisic acid
Peak:m/z	Relative Intensity
59.01234	1.7
62.26480	0.5
65.03799	0.8
66.03332	0.6
68.20256	0.4
71.01238	2.6
73.02814	1.1
77.03806	0.5
79.05386	1.4
81.03320	1.5
82.12113	0.4
89.02290	0.7
91.24681	0.4
93.03320	6.6
95.01247	1.1
95.04895	3.2
99.52355	0.6
101.02310	1.6
106.04093	4.5
107.01661	0.7
107.04887	100.0
107.07765	1.4
108.02038	3.1
108.04443	1.0
108.05224	2.1
109.02831	0.8
121.02837	1.7
122.03711	0.8
123.04388	11.9
136.01535	8.0
136.02478	0.7
151.03899	29.7
151.05937	1.2
151.08701	0.5
152.04311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28278	0.7
53.48479	0.8
53.97579	0.8
56.93198	0.7
57.57865	0.8
69.03322	1.3
71.04865	1.5
78.75831	0.9
81.03307	2.8
81.39828	1.0
82.02847	2.3
86.41889	1.0
91.01745	2.3
97.02856	1.3
97.06442	14.9
99.08002	4.4
101.21373	0.9
108.02030	8.2
109.02815	100.0
109.05743	1.7
109.06418	2.4
110.03138	1.6
110.92432	1.2
111.04375	1.4
111.62790	0.9
118.07049	1.0
123.44627	1.0
125.02297	2.9
135.04346	1.1
137.09570	2.2
137.99480	3.1
151.11215	1.8
153.01836	16.9
153.05469	1.8
153.12743	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11208	0.8
52.56862	0.9
57.95735	1.0
66.03339	3.1
67.02869	9.6
72.00768	13.1
72.53912	1.1
74.02323	1.3
79.09669	1.0
80.03657	15.0
81.03348	1.1
81.04437	14.3
85.11179	1.0
89.21843	0.9
91.73371	2.6
93.04438	95.7
93.06760	1.5
94.04726	1.3
95.02304	0.9
108.05533	10.7
109.03937	4.5
110.02347	0.9
110.03137	3.3
110.07114	22.4
111.04359	1.3
112.03923	1.9
118.03992	4.2
124.03935	3.5
126.93743	1.1
127.04951	1.3
136.03969	2.3
136.05043	9.0
137.03444	51.2
137.65712	1.1
154.05167	3.8
154.06111	100.0
155.06416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54362	2.8
55.01749	7.5
57.03319	22.7
58.00457	8.7
59.01241	10.3
65.03844	3.0
66.31410	3.1
67.01759	3.4
70.60114	3.4
78.95759	4.8
81.03316	8.5
83.01269	8.8
83.04880	16.9
84.04388	4.2
85.02818	7.4
85.87065	3.2
91.72748	6.0
93.03313	35.5
96.95873	100.0
101.78552	4.3
109.02805	6.9
109.06482	6.0
111.04372	23.0
111.08019	39.4
113.02261	6.3
114.05441	4.6
127.07535	5.3
137.02298	9.4
140.01031	13.1
154.86794	4.7
154.90485	7.2
155.03474	17.6
155.07034	70.9
155.08240	6.8
155.86449	14.9
170.60962	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	7.8
59.00963	5.3
59.01241	63.0
60.24513	2.6
68.99685	6.2
69.03309	13.5
71.01235	22.2
73.02777	4.4
75.00739	15.7
81.03311	2.6
83.01249	5.7
83.04884	6.6
83.80151	2.9
84.99172	5.1
85.02789	14.5
85.06460	3.4
87.00733	12.5
90.31571	2.9
91.72789	3.1
95.01233	6.1
95.04897	12.3
96.95872	13.3
97.00310	7.7
97.02821	9.4
99.00732	36.8
109.06477	5.0
111.00797	4.7
111.08011	18.3
112.92121	5.1
113.05969	15.9
113.09558	4.3
114.02983	6.6
114.93349	3.3
115.00233	21.9
121.02847	3.5
125.02309	7.7
125.87191	3.5
127.00249	88.4
127.07493	29.3
139.00224	3.9
139.07558	16.0
142.02591	15.4
156.89389	11.1
157.01332	12.1
157.04976	19.2
157.06100	3.8
157.08600	100.0
157.12299	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02171	1.8
57.03315	100.0
58.00443	2.4
59.01241	16.2
62.24215	0.7
64.31335	0.9
67.01723	0.8
68.37600	0.9
68.99667	1.8
69.03303	5.2
71.01218	3.6
72.99173	1.2
75.00731	4.5
83.01242	2.0
83.04883	4.6
84.99159	3.0
85.02809	5.1
85.06432	10.3
87.00724	4.5
95.01195	1.1
95.04865	6.8
96.95851	3.4
97.02805	2.1
97.06440	3.9
99.00729	7.9
99.08024	5.5
109.06459	1.4
111.00765	1.1
111.04443	1.2
111.08015	8.1
112.92129	2.5
113.05914	4.8
113.09580	58.2
114.05446	1.0
114.09949	1.2
114.14290	0.9
115.00249	9.3
121.02839	2.3
125.02341	1.5
127.00238	31.4
129.09077	2.9
139.89119	1.0
142.02594	2.6
156.89369	3.1
157.01317	3.1
157.04982	8.3
157.08592	44.9
157.12271	3.1
169.84058	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	4.0
57.03040	3.6
57.03315	72.8
58.00447	3.4
59.01239	56.7
61.80211	1.9
68.99664	5.4
69.03296	6.7
70.43394	1.7
71.01236	9.8
72.99118	3.0
75.00727	14.0
76.37358	2.0
83.01244	2.9
83.04874	8.7
84.99162	4.3
85.02805	8.3
85.06434	13.9
87.00735	5.2
95.04885	10.4
96.95862	20.1
97.00298	5.3
97.02808	4.1
97.06423	2.6
97.93008	2.1
99.00736	15.9
99.04423	2.2
99.08015	2.3
109.06458	2.6
111.00733	2.4
111.08004	25.4
112.92155	4.3
113.05939	9.4
113.09580	100.0
114.02970	4.3
115.00214	11.9
127.00249	60.9
129.09070	2.1
139.00238	2.7
142.02554	3.7
156.89360	7.2
157.01324	5.1
157.04945	9.4
157.05988	4.0
157.08592	68.6
157.12222	5.6
158.08101	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0233
Annotation	UMBELLIFERONE
Peak:m/z	Relative Intensity
53.49200	0.2
55.01736	0.2
56.36826	0.2
57.03316	3.3
58.00447	0.7
58.99979	0.3
59.01242	21.6
59.02370	0.4
63.15840	0.2
65.00184	0.8
67.74447	0.2
68.66870	0.2
69.03310	1.1
70.58565	0.2
71.01239	10.2
72.99165	2.1
73.02804	8.3
75.00730	0.9
77.03800	0.3
81.03310	3.3
83.01241	6.7
84.02023	0.5
85.02805	27.2
85.04792	0.4
86.03136	0.5
87.00726	1.4
87.04373	0.5
89.02299	5.0
89.03809	1.5
95.01228	0.5
95.04897	2.0
97.02803	1.7
99.04362	0.5
101.02287	2.4
105.03323	0.6
113.02309	2.3
113.57953	0.3
116.01020	0.2
117.03333	4.4
123.04385	5.1
129.01810	0.6
131.03377	12.7
133.02827	19.5
133.06647	0.3
134.03209	0.3
143.03401	0.5
160.96521	0.9
161.02338	100.0
161.04274	6.9
161.07385	1.1
162.02687	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.69464	0.4
59.01231	0.8
69.09452	0.4
81.43237	0.4
85.02780	0.7
91.01746	1.0
93.03295	3.5
93.33209	0.4
101.02290	1.0
119.01573	1.2
119.04889	100.0
120.05226	2.5
135.04416	0.5
136.99165	0.4
142.69307	0.4
162.83791	1.1
163.00203	0.8
163.03885	9.8
163.05144	0.5
163.06027	0.5
164.08229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01228	0.1
60.83542	0.1
65.03811	0.1
68.07704	0.1
76.05527	0.1
80.14513	0.1
91.05379	0.4
93.03304	1.6
94.67519	0.1
101.02327	0.1
104.02551	0.2
110.84452	0.1
117.03331	0.4
119.01540	1.3
119.04888	100.0
120.05224	2.2
121.48608	0.1
125.02718	0.1
126.98556	0.1
139.60175	0.1
145.02908	0.1
145.77713	0.1
160.17873	0.1
163.03905	6.1
164.04344	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.73894	0.2
59.01254	0.4
62.07981	0.2
63.52037	0.2
65.66216	0.2
71.01247	0.2
81.14237	0.2
85.02795	0.3
90.08222	0.2
91.05380	0.3
93.03326	1.6
101.02307	0.5
102.79576	0.2
117.03410	0.2
119.01427	1.2
119.04893	100.0
120.05231	2.3
163.00272	0.3
163.03906	5.3
163.06010	0.3
164.08147	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0707
Annotation	L-(-)-Phenylalanine
Peak:m/z	Relative Intensity
72.00765	41.2
72.02361	0.5
80.99866	0.5
88.70194	0.6
91.05379	4.2
103.05419	0.7
119.04888	0.6
136.03755	0.5
147.04405	100.0
148.04742	2.0
164.07072	44.2
164.08127	1.6
165.07394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41361	1.9
54.56266	1.7
59.01226	3.8
71.01243	2.1
72.00759	27.0
77.03822	10.0
79.64886	1.8
91.05425	2.8
92.04915	8.2
92.05743	2.5
93.03303	10.7
94.02868	4.4
99.06596	2.2
106.04093	2.7
107.04904	5.8
119.04891	7.7
120.04415	13.7
120.05244	28.9
120.23624	2.6
121.02818	100.0
123.04301	2.7
135.04382	23.0
136.03886	7.7
137.02327	4.2
147.04407	69.3
148.04807	2.3
149.05884	4.4
164.03288	12.1
164.07065	53.9
164.08232	15.8
164.83464	12.0
165.01805	13.8
165.05461	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21571	0.6
59.01250	1.0
72.00760	1.4
77.03809	1.7
80.04912	2.8
92.04909	2.9
93.03310	2.7
94.02809	1.3
101.02322	0.9
107.04897	2.4
108.08031	2.1
112.33601	0.9
119.04900	0.9
120.04401	5.7
120.05241	4.3
121.02821	13.5
121.05206	7.2
135.04398	6.3
136.03909	2.7
136.07542	16.7
137.04697	2.3
147.04387	2.9
149.04692	6.8
149.05788	1.9
153.04143	1.3
163.83795	1.1
164.03389	5.1
164.07057	100.0
164.08168	6.3
164.12671	1.7
164.83540	5.7
165.00504	0.9
165.01836	4.3
165.05501	1.9
165.07414	2.0
165.08701	0.9
181.03709	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31873	0.6
54.30404	0.7
55.16584	0.7
56.70812	0.7
57.03318	2.3
59.01239	12.5
71.01238	8.6
72.99175	5.3
73.02804	4.4
75.00732	44.9
79.95605	1.7
80.96402	1.0
85.02788	1.5
87.00732	100.0
87.03044	1.4
88.01055	1.0
89.02305	3.2
99.00738	16.2
99.19697	0.9
101.02296	4.7
104.99050	1.2
105.01797	73.4
117.01820	2.7
119.03371	0.9
119.78330	0.8
121.02812	3.9
129.01804	3.4
130.95180	0.9
135.02863	2.1
135.04453	1.1
147.02881	11.4
148.38570	0.9
164.98468	0.9
165.03946	71.3
166.01651	3.0
166.04285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08881	0.5
51.25550	0.6
57.03316	0.8
57.07991	0.6
59.01245	10.3
62.05127	0.7
71.01244	6.8
72.99160	4.4
73.02796	3.3
75.00732	35.7
81.68730	0.6
83.01236	0.9
85.02785	1.0
86.98623	1.5
87.00732	100.0
87.03067	1.2
88.01093	0.9
89.02302	3.4
99.00733	16.5
99.01349	1.4
101.02308	5.3
103.00197	0.7
104.99017	1.2
105.01797	72.5
105.68459	0.7
106.02164	1.1
117.01798	3.2
119.03367	1.3
121.02763	0.8
127.96136	0.8
129.01785	1.4
135.02855	1.5
135.04393	1.4
136.65331	0.8
140.07143	0.8
147.02858	8.8
165.03949	67.3
166.04294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0339
Annotation	PHLORACETOPHENONE
Peak:m/z	Relative Intensity
51.77069	0.2
51.77415	0.2
54.16325	0.2
57.03315	1.9
59.01240	2.3
61.98704	0.3
63.02254	0.3
65.00180	2.7
67.01752	0.6
69.03306	0.6
70.06924	0.2
80.02521	0.6
80.04910	0.3
81.01433	0.4
81.03314	22.8
82.03648	0.4
82.95285	0.3
83.01238	8.9
92.05157	0.2
93.03307	0.7
94.39183	0.3
95.01218	0.6
95.04881	3.2
97.02811	2.2
98.55436	0.2
99.04391	0.6
105.68365	0.2
107.01282	1.9
108.02020	2.0
108.04408	0.9
109.02850	0.4
110.03604	0.2
111.04371	0.4
121.02831	0.5
122.03608	0.2
123.00842	1.8
123.04388	100.0
124.01557	0.6
124.04716	1.6
125.02317	7.8
128.01485	0.2
139.03885	0.9
149.02292	0.7
151.00264	4.2
152.01038	3.3
162.21645	0.2
166.83281	0.9
166.97762	0.8
167.03400	73.3
167.09740	0.5
168.03773	1.8
177.73912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40398	0.4
58.01672	1.6
58.02840	100.0
58.04153	1.3
61.46056	0.4
61.98687	2.9
65.85065	1.0
70.02841	0.5
78.98277	0.5
80.02772	0.5
81.03309	0.5
81.80302	0.5
82.02875	0.9
82.95271	4.7
87.00759	0.7
97.02845	0.9
104.71650	0.5
108.04412	4.9
108.64109	0.5
122.06019	1.2
123.04405	1.0
126.90316	1.3
133.99529	0.5
136.68393	0.6
138.05579	0.5
150.05505	1.1
151.03879	0.6
151.11171	0.6
168.06575	0.7
168.13821	6.7
168.83595	0.9
169.05061	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57473	1.3
57.03315	9.4
59.01237	4.1
60.10818	1.3
63.02263	3.9
65.00182	14.3
66.48453	1.5
69.03322	4.0
71.01245	3.8
73.37478	1.5
78.95776	2.4
81.03299	9.8
83.01234	38.6
83.01694	2.9
83.04882	1.9
85.02808	4.4
87.00742	2.1
95.04881	3.6
97.02804	16.4
97.06454	2.9
98.02354	3.9
99.04365	1.6
107.01238	19.7
107.04899	5.6
108.04435	4.7
109.02814	4.4
109.04063	1.7
109.04757	6.9
111.04386	1.8
113.02340	2.0
123.00761	2.1
123.04385	11.5
125.02305	30.2
125.05976	5.2
126.05451	2.1
126.90155	2.0
127.03884	3.8
128.42496	1.5
139.03848	4.0
151.00252	100.0
151.03886	9.2
168.83507	2.5
169.01338	74.6
169.04941	13.2
170.04510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47233	0.6
57.03323	8.0
58.17110	0.6
59.01231	2.4
63.02254	3.6
63.13934	0.6
64.99875	1.2
65.00188	15.0
68.99681	0.8
69.03309	3.0
71.01228	0.9
81.03317	8.5
83.01240	39.1
83.04875	1.6
83.50870	0.7
85.02789	1.3
87.00748	1.2
93.03316	1.3
95.04892	1.6
97.02818	9.9
97.06452	1.8
98.02299	0.8
99.04385	1.3
107.01254	18.0
107.01971	0.9
107.04942	1.7
108.04424	1.9
109.02805	1.3
109.04760	2.0
111.04404	0.9
113.02316	0.8
123.04404	5.3
125.02318	33.2
125.03245	1.6
125.05930	2.1
127.03881	1.6
139.03889	1.1
141.05336	0.8
151.00259	100.0
151.03912	3.1
151.05681	1.1
152.00583	3.2
152.09970	0.7
154.02611	0.9
169.01332	73.1
169.05000	6.0
170.01700	1.7
170.04475	0.9
173.48648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68433	0.7
55.01754	5.7
59.01242	1.6
61.26299	0.7
61.98690	1.2
69.03312	7.9
71.01246	1.0
71.04877	37.9
72.05242	0.7
73.16055	0.7
78.00517	0.7
80.02530	2.2
81.03320	2.8
83.04879	9.1
84.94975	1.3
87.00721	3.8
93.03333	0.7
95.04873	2.6
95.46197	0.7
97.02814	2.9
97.06448	3.3
98.02357	1.2
106.00076	0.7
107.04888	2.0
109.02816	0.8
111.00706	1.1
113.51836	0.7
123.04393	2.4
123.08018	10.2
123.90498	0.7
125.02301	1.2
125.06019	3.5
125.09592	100.0
126.09949	2.0
126.90240	8.7
127.03889	1.9
139.03949	0.8
140.03394	1.0
151.03889	1.9
168.83493	3.9
168.91324	2.0
169.01373	1.0
169.04901	3.7
169.08583	8.9
180.15770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.0
59.01250	3.3
59.25928	1.0
66.88924	1.1
67.78885	1.1
68.99704	1.2
69.03336	3.6
71.01264	4.4
71.04907	4.1
81.03313	2.3
82.41197	1.2
83.01278	2.1
83.04880	1.8
87.00730	2.4
88.03930	1.1
95.04899	2.0
97.02802	6.9
97.06500	2.5
98.98022	1.5
99.00739	100.0
99.03259	1.5
100.01534	12.2
107.04932	3.1
109.02876	2.3
109.04756	1.6
121.46053	1.4
123.04433	4.5
123.08003	1.8
125.05985	4.5
125.09611	18.2
126.90278	5.4
127.03909	2.3
132.00520	3.2
132.86713	1.3
134.86444	3.0
151.03929	5.5
168.83536	6.0
169.04967	10.9
169.08607	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.3
60.30724	1.5
61.98697	1.7
62.26398	1.3
69.03297	2.1
71.01228	1.5
81.03290	2.8
83.04884	20.2
84.94983	2.4
85.02781	3.2
85.06432	5.9
87.00728	5.3
91.72840	2.0
95.04870	2.2
97.02811	5.5
97.06449	2.7
98.02343	2.0
101.05938	64.9
101.06622	3.4
107.04883	5.9
108.59154	1.6
109.02821	2.9
110.02390	1.6
113.09562	2.7
119.62939	1.4
123.04398	4.5
125.02309	1.7
125.05922	4.4
125.09564	3.8
125.99545	1.5
126.90224	7.4
127.03921	2.5
129.60706	1.8
134.86424	5.4
139.03909	1.9
139.11163	1.5
140.07329	2.5
140.08301	17.0
141.12720	13.5
151.03888	3.3
166.02657	1.8
168.83498	10.1
169.04999	8.3
169.06235	2.9
169.12242	100.0
170.04431	2.5
170.12567	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25820	0.5
55.25547	0.5
59.01237	0.8
61.98690	1.6
69.03304	0.8
71.01260	0.6
71.04877	38.3
83.04875	5.7
85.02818	1.0
85.06454	0.6
88.98666	0.9
89.02286	2.1
90.60683	0.5
91.72632	1.3
96.95889	1.2
97.02813	1.3
97.06422	1.4
99.04350	0.7
99.08008	6.9
109.02810	2.0
109.06403	0.9
115.34929	0.6
125.09592	8.9
127.03883	1.6
127.07516	3.4
127.11155	100.0
128.11441	1.7
128.89957	3.6
130.08589	0.8
142.23959	0.7
150.14767	0.7
153.09090	17.3
170.83237	4.4
170.88306	2.3
170.91026	1.3
171.01915	1.5
171.04362	1.1
171.10170	58.9
172.10573	1.1
183.32060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18232	1.1
54.66879	0.8
55.01748	1.2
57.03318	6.4
59.01240	1.0
61.96733	0.8
65.23305	0.9
69.03303	1.9
69.09865	0.9
71.01221	3.7
71.04501	1.9
71.04875	28.1
75.43969	1.0
83.04887	8.2
89.02283	3.0
91.72746	2.0
97.06458	3.9
99.00761	1.5
99.08014	100.0
99.10826	1.6
100.01511	1.4
100.08310	1.2
109.06468	1.2
121.17947	1.2
125.09597	40.6
127.07523	2.4
127.11158	72.0
128.11516	1.6
128.89882	2.0
138.98764	1.4
153.09088	11.1
170.83170	2.0
170.88287	2.6
171.01892	1.3
171.10173	44.0
171.13734	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.2
57.03302	0.7
57.89166	0.3
58.86085	0.3
59.01233	1.4
62.48738	0.3
63.60582	0.4
67.01745	4.2
67.29497	0.3
68.99665	1.0
69.03298	0.6
69.23112	0.3
71.01237	19.2
72.01550	0.4
72.99149	1.6
73.02805	4.7
79.51618	0.3
80.78899	0.4
81.03316	0.4
83.01224	2.0
83.04875	1.5
83.81194	0.3
85.00539	1.1
85.02802	100.0
85.04836	1.6
86.03133	1.4
87.00724	0.8
93.03313	15.9
96.99176	1.0
99.00733	8.6
99.04378	0.8
101.02269	0.4
111.00738	15.4
111.04373	3.1
111.08040	0.4
112.98673	2.0
115.00242	0.5
124.98667	6.6
129.01805	15.1
129.05504	0.5
130.04970	0.4
131.08224	0.4
137.02307	2.1
142.99738	10.0
144.77878	0.3
154.99739	2.1
173.00829	4.8
173.04469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1034
Annotation	L-Arginine
Peak:m/z	Relative Intensity
58.03957	0.6
64.75478	0.1
67.01754	0.6
69.03312	0.2
71.01259	0.4
73.02811	0.4
73.12580	0.1
83.04899	0.2
83.05993	0.4
84.54971	0.2
85.07547	0.3
93.03314	2.9
99.00743	0.2
108.88683	0.2
111.04401	0.5
112.08672	0.5
113.07094	0.5
114.05476	1.6
128.15884	0.2
131.04089	1.2
131.08139	100.0
132.08505	1.3
137.02237	0.3
156.07693	2.9
173.04488	0.4
173.10355	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01723	0.4
57.03318	1.1
59.01244	27.5
64.44463	0.4
67.01754	1.1
68.11646	0.5
69.51772	0.5
71.01241	34.5
72.00764	6.7
72.99178	3.0
73.02814	3.0
83.01263	1.6
85.02795	2.8
86.98660	1.4
87.00735	93.7
87.03088	1.1
88.01077	1.3
89.03426	27.0
99.00725	0.9
101.02313	0.8
101.56357	0.5
112.98669	1.4
113.02336	1.0
114.97110	1.7
115.00240	100.0
115.03790	1.1
116.00580	1.3
127.00280	0.7
129.97116	0.5
132.04042	5.1
157.01295	0.5
175.02396	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15457	0.4
56.85220	0.5
57.03299	0.6
57.75504	0.5
59.01241	28.4
59.02437	0.5
61.14651	0.5
61.43447	0.5
68.11645	0.7
71.01238	36.3
72.00771	3.5
72.01573	0.5
72.99171	3.8
73.02802	3.0
75.00710	0.5
80.18259	0.5
83.01246	1.3
85.02808	2.5
86.75313	0.5
87.00732	91.5
87.02896	1.3
88.01066	0.8
89.03418	16.5
104.30783	0.5
104.70703	0.6
112.98694	1.4
113.02346	0.9
115.00235	100.0
115.03531	1.3
116.00571	1.6
127.00252	0.6
132.04028	3.0
175.02400	23.7
176.02760	0.8
183.67935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15351	0.3
52.76119	0.4
53.28802	0.3
56.06003	0.3
57.03312	0.7
57.25034	0.4
59.01242	10.5
68.65942	0.3
69.03303	0.6
69.91312	0.4
71.01244	4.2
71.04866	1.5
72.00766	0.5
72.99165	1.0
73.02798	1.4
75.00721	0.6
81.32314	0.4
85.02808	1.4
85.06445	41.6
85.08562	0.6
87.00732	4.9
87.04377	1.8
88.01499	0.4
89.03408	1.1
93.03304	0.6
95.03748	0.4
112.46054	0.4
113.05947	38.9
114.06281	0.5
115.00260	4.4
115.03874	100.0
115.07237	1.1
116.04218	1.5
117.01854	0.4
129.05452	1.9
131.04913	0.5
131.07016	8.6
132.07285	0.4
147.04414	0.7
157.04947	8.8
174.88931	1.4
175.06041	48.0
175.12334	0.6
176.06427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.16567	0.2
52.93929	0.1
54.85938	0.1
58.00457	0.6
58.49849	0.2
59.00064	0.3
59.01243	19.3
59.02551	0.3
60.34233	0.2
61.05306	0.2
61.49628	0.2
62.87996	0.2
69.03307	0.4
70.99661	0.2
71.01238	15.1
72.99154	0.8
73.02796	1.0
81.03297	0.3
82.02843	0.3
83.01244	0.8
85.02811	2.4
87.00733	6.1
89.00170	0.2
89.02296	8.1
89.03805	0.4
91.05381	0.6
91.72743	0.4
93.03306	0.3
95.01261	0.5
96.00774	0.4
96.95889	0.5
97.02827	0.5
99.00733	2.0
101.02300	2.4
106.04102	0.5
107.04880	2.1
108.01997	0.5
108.04385	0.2
109.02802	0.5
113.02310	1.8
117.01789	0.8
117.03372	0.9
119.03339	0.5
123.04369	0.4
125.02327	0.8
128.03622	0.2
129.01825	0.3
132.82385	0.2
134.03613	8.4
135.00357	1.4
135.04395	100.0
135.09050	0.7
136.04744	2.4
137.02307	0.3
141.01819	0.6
151.03824	0.4
159.02910	0.6
161.04453	3.2
179.03418	14.7
179.05521	4.0
179.07019	0.4
179.10439	0.2
180.03757	0.4
185.39754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84186	0.2
54.35951	0.2
57.03302	0.3
58.00449	0.7
59.01242	21.6
59.02475	0.4
60.01555	0.4
71.01239	15.8
71.02863	0.3
72.99160	0.9
73.02800	1.1
81.03299	0.3
82.02825	0.7
83.01241	0.8
85.02810	2.8
87.00735	6.2
89.02293	7.9
89.03816	0.7
89.67244	0.2
91.05372	0.5
92.88887	0.2
93.03293	0.5
95.01245	0.8
96.00777	0.7
96.95844	0.7
97.02808	0.8
99.00724	1.6
101.02314	2.6
106.04086	0.5
107.04903	1.7
108.02040	0.3
109.02844	0.4
113.02292	1.8
117.01783	1.2
117.03310	0.8
119.03388	0.7
125.02310	0.8
134.02661	0.5
134.03613	6.9
135.04395	100.0
135.08716	0.9
136.04758	2.3
137.02371	0.3
141.01805	0.7
151.03883	0.5
159.02797	0.3
161.04439	3.7
179.03419	16.3
179.05515	4.6
179.06989	0.6
180.03857	0.4
189.64461	0.2
192.69574	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89737	0.6
53.33896	0.6
54.02649	0.5
56.73880	0.7
57.03315	1.3
58.00460	3.1
59.00091	1.8
59.01242	100.0
59.02526	1.2
61.55079	0.6
62.09842	0.6
70.99721	1.5
71.01240	77.6
71.02921	1.1
72.01589	0.8
72.99163	3.0
73.02810	1.8
83.01244	1.4
85.02805	7.8
87.00738	5.5
89.02297	39.8
91.72942	0.8
94.51198	0.7
95.01258	2.3
99.00732	1.5
101.02310	10.1
113.02306	7.6
119.03413	2.4
135.04454	1.0
137.87662	0.8
161.04456	1.8
171.97752	0.8
179.05556	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55111	0.8
59.01242	100.0
59.02460	1.9
65.63081	1.0
69.03297	1.3
71.01233	8.4
74.52025	1.1
78.44955	0.9
81.06939	1.8
83.04848	1.3
87.00729	5.2
89.02286	4.3
92.53759	1.0
96.95863	1.3
101.02302	2.0
107.08514	15.7
120.83688	1.3
135.10725	1.7
135.11658	12.2
159.08018	1.4
161.04453	3.4
161.09697	5.7
177.09132	3.1
179.05539	4.1
179.10693	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91154	0.8
57.03315	1.6
59.00964	1.5
59.01241	17.9
66.41145	0.9
68.97997	1.0
68.99427	69.9
69.03327	1.3
71.01225	4.6
73.02815	1.1
83.04870	2.6
85.02789	2.3
85.40622	0.9
93.03329	1.3
93.06955	4.7
94.02808	2.5
96.04375	1.4
97.02802	1.9
98.05918	0.9
101.02288	3.9
104.76450	1.3
109.02875	1.0
111.00745	1.1
111.04372	3.5
112.98421	100.0
113.01661	1.4
113.59839	1.1
121.06461	2.6
121.10110	3.2
122.02364	1.5
123.00674	1.2
123.04385	2.0
124.01546	1.2
124.03930	1.6
132.99013	1.2
136.03893	1.0
137.05943	1.2
139.07504	2.9
139.11159	3.5
140.07085	1.8
153.09105	9.9
165.09123	4.1
168.00502	1.3
183.00290	1.1
183.06561	2.0
183.10187	20.6
184.06021	1.8
193.21715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.076
Annotation	(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
Peak:m/z	Relative Intensity
57.03313	0.2
59.00069	1.0
59.01242	56.1
59.02563	0.4
60.01575	0.3
60.61841	0.1
60.74749	0.2
65.99371	0.2
66.78065	0.2
69.03302	0.2
71.49755	0.2
85.02802	0.4
91.73332	0.4
99.04377	0.3
102.78591	0.2
103.01174	1.6
103.03868	100.0
103.06960	0.8
104.04205	0.6
106.79462	0.2
109.06441	0.2
117.03315	0.3
145.06436	0.2
156.88445	0.2
163.05443	0.2
167.14389	0.2
169.39720	0.2
185.05600	0.2
189.01863	0.3
189.05486	0.3
189.07587	0.3
199.14734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0189
Annotation	D-Galactaro-1,5-lactone
Peak:m/z	Relative Intensity
57.03315	6.2
59.01237	2.3
59.68416	0.4
64.86880	0.3
66.81060	0.4
67.01749	2.9
73.02807	0.6
74.52256	0.4
85.02805	29.3
85.04741	0.4
85.45871	0.3
86.03130	0.5
86.98518	0.6
87.00730	50.9
87.02718	0.7
101.02294	0.5
110.97469	1.3
111.00741	100.0
111.03606	0.9
112.01083	1.9
117.01778	0.5
129.01794	5.2
130.99706	1.1
146.49994	0.5
147.02835	0.5
154.99739	1.1
173.00819	2.1
191.01891	11.6
191.05534	1.3
200.93156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0342
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.94828	0.2
59.01244	3.3
71.01230	0.2
85.02805	1.7
87.00730	0.5
93.03319	0.6
101.02299	0.2
111.00757	0.4
118.99181	0.5
119.04893	1.7
120.45614	0.2
120.98937	0.9
121.02820	100.0
121.06261	1.4
122.03145	1.7
127.03858	0.5
144.04410	0.4
146.98682	0.2
147.03229	0.3
147.04402	6.6
163.03880	0.3
190.97749	0.2
191.03442	5.9
191.05537	5.6
191.06898	0.2
191.10680	0.2
203.45358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	ferulic acid
Peak:m/z	Relative Intensity
50.97456	0.8
54.69135	0.7
55.01729	1.5
57.03320	1.6
59.00974	0.9
59.01245	13.0
67.01754	1.3
68.99670	1.0
69.03326	5.7
71.01239	12.6
72.99157	1.9
73.02804	14.3
81.03313	2.5
83.01248	5.4
85.02809	15.7
85.99954	1.3
87.00736	9.5
89.02287	1.7
91.92076	0.9
93.03313	2.8
95.01254	2.1
97.02795	6.5
99.00741	12.3
101.02303	17.5
106.04075	1.6
108.02015	1.2
108.04428	1.5
109.02802	1.8
111.00739	1.6
112.01511	1.3
113.02298	3.4
121.02826	5.5
123.00772	1.5
123.04355	1.9
125.02293	5.3
133.02826	9.1
134.03612	100.0
135.03957	1.9
137.02324	17.5
139.03897	4.9
139.99922	0.9
140.01045	1.8
141.01831	4.5
149.02310	2.8
149.05983	21.7
150.03091	2.8
150.94701	1.2
155.03413	2.8
159.02832	1.2
161.04449	23.9
165.05392	1.1
175.06023	1.0
178.02623	55.1
179.02965	2.0
192.95735	1.5
193.01299	1.9
193.04988	28.2
193.07088	14.3
193.08665	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.3
57.03304	1.8
59.01243	15.5
61.92894	1.0
69.03321	8.6
71.01241	18.0
72.99166	2.4
73.02807	18.3
81.03299	2.8
83.01237	8.6
85.02808	20.5
87.00738	11.1
91.38522	1.2
93.03333	3.1
95.01231	5.0
96.00796	1.3
97.02815	11.2
99.00733	13.0
101.02307	21.1
106.04093	2.4
108.02036	2.7
109.02822	1.8
111.00698	1.4
112.01554	1.3
113.02314	3.7
120.90794	1.3
121.02831	5.2
123.00724	1.9
123.04455	1.6
125.02335	8.3
125.03105	1.3
133.02806	6.4
133.99689	1.5
134.03613	100.0
134.07959	1.4
137.02328	16.2
139.03893	4.7
141.01816	5.0
149.02312	3.9
149.05962	21.2
149.09576	1.9
150.03133	3.0
150.94696	5.8
155.03423	3.4
161.04468	26.1
161.16168	1.3
178.02635	53.1
192.95789	2.9
193.01405	2.5
193.05005	30.1
193.07101	18.5
193.08733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68242	0.1
59.01237	0.3
71.01237	0.3
73.02784	0.3
81.29266	0.1
85.02798	0.3
87.00753	0.2
89.03817	0.4
93.03344	0.6
97.02834	0.1
99.00755	0.2
101.02316	0.3
106.04105	1.8
108.02087	0.2
109.02827	0.3
111.00729	0.7
117.03342	0.5
118.97046	0.1
121.02819	1.9
121.06420	0.1
126.42651	0.1
132.02092	0.1
133.02834	7.6
134.03609	100.0
134.07774	1.3
135.03935	2.3
137.02318	12.5
138.02644	0.2
139.03886	3.9
147.47772	0.1
149.02324	0.4
149.05966	16.4
150.03110	1.6
150.06290	0.3
161.04431	0.5
165.01790	0.3
178.02626	51.0
178.09006	0.6
179.02979	1.2
193.04988	20.1
193.12100	0.2
193.81186	0.1
194.05299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0484
Annotation	2-(N-morpholino)ethanesulfonic acid
Peak:m/z	Relative Intensity
51.21928	0.2
53.62243	0.2
59.01240	0.5
64.96884	0.5
71.01232	0.3
75.00733	3.4
79.93597	0.7
79.95591	55.1
79.97313	0.7
80.96367	2.5
85.02811	0.2
85.45129	0.2
87.00732	0.4
89.02276	0.2
93.30437	0.6
96.07813	0.2
99.00748	0.4
106.97947	4.7
129.01811	1.4
193.97371	0.9
194.04854	100.0
195.05099	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0502
Annotation	D-Mannonate
Peak:m/z	Relative Intensity
52.69245	0.5
55.01767	0.5
55.53419	0.5
56.11372	0.5
57.03329	5.1
57.47801	0.6
59.01243	20.8
61.58372	0.5
68.48452	0.6
69.01923	0.6
71.01241	11.5
72.99164	6.4
73.02808	0.8
74.53783	0.5
74.61121	0.5
74.98868	1.1
75.00732	100.0
75.02422	1.5
78.95765	3.6
79.95590	13.1
80.95555	1.3
80.96389	1.1
81.95168	1.8
83.01265	1.0
85.02809	7.9
87.00732	17.5
87.04370	0.6
88.03892	0.7
89.02295	7.7
94.38168	0.6
96.95873	10.6
96.96813	7.3
99.00735	18.4
101.02304	3.1
105.01797	3.3
106.97934	2.9
111.00746	1.7
119.03336	0.8
124.00581	0.8
129.01816	40.1
141.01826	1.7
147.02901	0.7
150.30750	0.7
151.28842	0.6
159.02895	7.5
177.03935	5.0
181.41437	0.7
194.04854	1.3
195.05060	91.6
196.02771	3.4
196.04510	3.0
196.05670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0608
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
66.03357	1.1
67.01759	0.6
68.03454	0.2
68.11602	0.3
80.04919	0.4
81.02058	1.1
82.02839	2.8
83.01225	0.3
83.74503	0.3
92.04908	0.4
94.02844	4.5
96.00783	1.3
96.04414	0.7
100.10173	0.3
100.12887	0.5
106.06499	4.1
107.02894	0.5
107.03632	9.0
107.04308	0.6
107.04834	0.6
108.04449	0.5
109.46089	0.3
122.02354	22.3
122.05988	100.0
122.09815	1.1
123.06364	1.8
124.07546	2.2
126.06629	0.8
134.05991	11.6
136.03917	0.4
150.05481	0.8
152.07065	80.4
152.10631	3.8
153.07468	1.9
160.84125	0.9
166.04970	0.6
180.65829	0.3
195.80986	0.5
196.06084	30.3
196.09663	2.1
197.06403	0.8
210.81342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.7
61.98688	6.4
62.67038	0.7
66.03344	2.1
70.75295	0.8
75.95812	0.7
79.09659	0.7
81.02049	1.8
82.02840	5.6
85.49985	0.7
90.36951	0.7
94.02859	2.8
95.65536	0.7
96.00774	3.7
100.03904	0.9
103.91879	2.2
106.06450	1.5
108.04453	1.9
108.05129	1.4
108.08051	100.0
109.08391	1.6
113.03419	1.1
116.92770	0.9
122.02326	1.0
122.05974	1.0
124.03892	2.2
125.00073	0.7
134.06013	1.2
136.03960	1.5
150.30533	0.7
152.02171	0.9
152.07060	38.5
152.10643	5.9
153.07449	0.8
158.75912	0.7
158.84518	1.0
160.78728	0.8
160.84111	50.1
161.84184	1.0
165.06920	0.7
195.81030	16.7
196.06047	13.8
196.09734	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0084
Annotation	3,4-Dihydroxyphthalate
Peak:m/z	Relative Intensity
57.03318	7.8
59.01243	1.7
63.02256	2.0
65.00185	13.5
67.01752	3.6
68.99672	9.8
69.03302	0.7
72.99194	0.8
73.02805	1.6
78.95763	1.7
80.96389	0.9
81.03340	5.4
82.02835	7.1
82.99188	0.8
83.01242	56.6
83.03093	1.0
84.04391	1.8
85.02805	3.6
94.02814	1.0
96.00771	12.0
96.04422	0.8
96.95871	2.0
97.02797	1.6
98.02348	0.8
100.03897	1.5
101.02287	1.2
107.01248	13.4
108.04436	3.4
109.02821	19.0
110.48426	0.7
111.00741	3.2
111.04386	0.9
112.03904	1.1
113.02296	1.3
116.92745	1.5
118.77763	0.8
120.64427	0.7
123.00770	1.3
123.04395	0.8
125.02318	26.7
126.05441	0.8
126.53435	0.8
135.04436	1.4
136.03941	1.3
137.02315	1.8
138.05452	2.5
150.05510	1.4
151.00258	55.4
151.05904	0.9
153.01825	100.0
153.09074	0.9
154.02200	2.0
154.08647	1.5
169.01343	1.1
179.03397	2.0
182.02003	0.9
196.89473	2.6
197.00836	5.8
197.04428	3.8
198.07687	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0448
Annotation	2-HYDROXY-3,4-DIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
58.07167	0.5
59.01256	1.3
63.62896	0.5
67.01762	1.3
72.51992	0.6
72.99177	0.6
82.02834	5.1
83.01274	0.7
85.02841	1.0
89.00217	1.9
91.01723	1.1
92.64412	0.6
92.66148	0.6
93.25014	0.7
95.01240	20.8
96.00764	9.2
97.02817	1.3
98.02326	0.8
99.00735	0.6
100.03912	2.3
106.00488	2.6
108.04436	2.0
109.02816	2.4
109.06505	0.8
111.00773	0.7
111.40250	0.6
113.03450	1.1
116.92784	1.2
120.29120	0.6
121.02820	22.5
122.97102	1.0
123.00747	77.7
124.01040	0.8
125.02318	2.4
126.90369	0.8
128.53375	0.6
135.04410	1.0
135.08047	0.8
136.98729	0.6
137.02324	2.0
137.99538	1.0
138.03093	16.7
138.05489	0.7
139.00200	0.7
146.45473	0.6
152.10721	0.7
153.01839	0.7
153.05472	14.8
153.09105	1.1
160.84088	0.9
162.83832	2.2
166.99763	50.6
168.00114	1.2
181.01263	1.8
182.02124	100.0
183.02414	2.0
195.59471	0.6
197.04480	29.6
197.80754	1.1
198.04877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0447
Annotation	2-HYDROXY-3,4-DIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
59.01316	1.3
59.08293	0.7
59.67349	0.6
65.00270	1.2
67.01825	1.4
71.10371	0.8
75.90609	0.6
78.42069	0.8
80.04988	1.2
81.05316	1.7
82.02943	5.5
83.01337	1.2
83.03249	0.8
85.02893	0.8
91.73348	0.9
93.03394	0.7
94.02909	0.9
95.01247	17.1
95.03260	1.3
95.04964	0.8
96.00769	12.8
97.02869	0.8
98.02400	0.9
100.03981	2.2
100.28923	0.6
108.04428	6.7
109.02897	2.8
109.04752	8.7
109.99998	1.1
111.00842	0.7
111.04427	0.9
113.03529	1.9
113.07549	0.7
116.10376	0.6
121.02820	6.8
123.00745	63.8
123.04530	1.0
125.02322	3.7
126.90477	0.8
137.02364	1.5
137.99480	1.4
138.03105	15.2
138.05455	0.7
139.03815	0.7
140.19188	0.7
150.05528	1.1
152.03419	0.8
153.01871	1.1
153.03754	3.7
153.05470	9.0
153.09085	0.9
153.11000	1.4
155.03424	0.9
166.94443	1.0
166.99763	46.7
168.00249	1.3
181.01288	0.9
182.02126	100.0
183.02492	2.2
197.00793	1.6
197.04457	23.6
197.08133	0.9
198.07594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07424	1.6
55.88881	1.6
59.00970	2.9
59.01241	37.3
59.28609	1.8
61.98687	5.0
69.03316	3.8
71.01237	4.3
73.02798	2.7
78.51164	1.8
82.02843	17.2
83.04883	4.1
85.02792	2.0
91.70407	1.9
94.75930	1.9
95.01213	3.1
96.00762	34.4
96.95857	3.2
97.02835	3.1
98.02312	2.2
98.24821	1.8
99.04263	1.8
100.03902	5.2
101.02298	3.7
108.04416	7.2
109.02758	3.9
111.04419	3.1
113.03394	3.0
116.92702	5.5
123.00761	5.5
125.02295	5.7
125.05943	2.4
125.09590	3.0
126.90343	6.1
135.11656	6.2
137.02306	2.3
139.00029	2.3
149.09584	10.5
153.05452	3.9
153.09006	2.6
153.12714	2.5
160.84074	23.3
162.83804	59.6
167.10672	56.3
169.12340	4.0
179.03400	3.8
179.10704	26.1
182.02063	5.0
197.04472	5.7
197.11757	100.0
197.80748	28.2
200.10107	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1177
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.35866	1.8
53.53089	2.0
57.03321	3.4
59.01241	31.3
61.98681	4.1
65.56675	2.3
66.03354	2.3
69.03304	3.2
71.01237	6.0
71.50317	2.0
72.34903	1.9
72.99181	2.2
82.02824	16.9
83.04870	3.9
84.04388	2.5
95.01212	2.7
96.00773	34.4
96.95856	2.6
97.06468	2.7
100.03896	7.7
101.02306	3.1
108.04404	9.2
108.59804	2.3
109.02848	4.8
109.68674	2.0
111.00780	3.9
115.07494	2.3
116.92713	4.7
121.02887	2.9
123.00734	8.3
125.02315	10.5
125.09552	2.3
126.90333	5.1
135.11659	7.4
137.02267	3.6
149.09587	3.1
152.46898	2.4
153.09146	5.7
153.12733	4.7
160.84120	14.7
162.83829	47.6
164.01013	3.1
165.16388	2.3
166.99718	5.2
167.10649	19.9
169.41922	2.9
179.03464	4.3
179.10684	18.5
182.02095	8.3
186.99959	2.5
197.02614	3.3
197.04460	12.5
197.11766	100.0
197.80714	20.4
198.12070	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.47076	0.4
60.54443	0.5
61.98681	0.9
64.98575	0.4
69.02077	0.4
69.03321	1.0
71.04866	1.1
82.02817	0.7
91.72835	0.6
95.04868	0.5
96.00757	2.8
97.05851	0.9
97.06447	14.2
97.07072	0.7
99.08012	3.9
100.03907	0.8
108.04436	1.1
109.06464	1.0
111.08070	0.9
115.71568	0.5
116.92733	0.7
122.03608	1.6
123.00760	1.1
123.04394	0.7
125.02315	1.1
125.09586	1.0
126.03093	0.9
126.90350	0.6
128.16432	0.5
129.84268	0.5
137.02283	0.6
137.09587	2.1
151.03828	0.5
151.11159	1.1
153.12740	100.0
153.17719	1.3
154.13112	1.9
160.84076	1.2
162.83792	2.1
166.99721	0.8
179.03491	1.0
179.10686	22.3
182.02122	0.7
197.04482	1.3
197.08096	0.7
197.11765	5.4
197.80736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0968
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
52.73565	0.4
52.87881	0.5
57.03324	2.8
59.01241	13.4
69.03317	2.1
71.01257	2.6
71.04879	4.0
73.02816	3.8
81.03316	4.8
83.01234	0.7
83.04877	31.8
85.02816	4.3
90.79763	0.6
93.03322	1.0
93.35017	0.6
95.04890	1.8
97.02792	1.1
99.00738	1.4
99.04382	1.5
101.02279	1.2
107.04884	0.8
109.02828	1.1
109.04765	1.0
109.06458	3.8
111.04398	0.8
113.02316	7.2
116.92731	0.8
117.01735	0.6
119.08530	0.6
124.23193	0.7
125.02306	1.7
125.05959	0.9
127.03867	4.2
135.08041	3.3
137.02336	0.7
137.05969	1.6
137.09596	40.6
138.09984	1.0
139.03896	1.7
141.29999	0.5
154.49455	0.5
155.10663	100.0
156.11008	2.6
162.83821	8.4
163.12495	0.6
163.22069	0.6
163.83832	0.9
164.83510	7.1
181.03293	0.6
181.05005	0.7
181.08606	12.9
184.00110	0.9
198.80783	0.9
199.06047	2.9
199.09683	86.5
199.16890	3.6
199.80449	4.8
200.10008	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1332
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.75554	0.4
53.36390	0.4
55.01738	0.4
55.09289	0.4
55.62265	0.4
56.28199	0.4
57.03300	0.6
59.00980	0.5
59.01244	6.2
61.13596	0.4
69.03300	0.6
71.01231	2.7
71.04870	1.9
73.02788	1.8
81.03295	0.7
83.04884	2.3
85.02793	2.0
87.00714	0.8
91.73002	1.5
95.04868	0.5
97.02824	0.5
99.00736	1.4
99.04369	0.6
99.07992	0.5
113.02274	2.6
115.13898	0.5
117.01801	0.5
125.02283	0.7
125.09588	1.1
127.03877	1.6
127.11169	0.6
137.09601	0.6
139.03862	1.1
139.67213	0.5
153.12772	3.8
155.10667	1.5
162.83878	0.7
164.83498	1.0
169.12328	0.7
181.12248	2.2
197.11829	0.6
199.06041	2.8
199.13329	100.0
199.16858	2.7
199.80380	0.6
200.13696	3.3
200.89488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0398
Annotation	Succinylacetoacetate
Peak:m/z	Relative Intensity
51.02250	4.2
55.01737	1.9
56.66025	1.4
57.03316	1.8
59.01242	78.0
65.03819	27.4
67.01751	5.9
69.02947	3.0
69.03310	42.9
69.52103	1.4
71.01228	1.9
73.02794	1.5
75.00712	1.8
75.95070	1.5
76.89787	1.6
77.03379	2.4
77.03821	48.8
80.02551	1.7
81.03315	37.3
83.01229	11.4
83.04877	2.0
85.02790	1.8
91.03715	1.5
93.03315	39.2
95.01224	2.3
95.04876	16.0
97.02814	41.7
109.02814	91.5
111.00750	31.2
111.04362	7.3
118.94048	2.4
121.02827	35.0
139.03880	2.2
139.11150	2.1
141.01822	17.6
141.93555	2.5
157.04909	2.7
159.01361	4.2
159.44791	1.6
164.83560	1.8
183.10164	2.8
201.02475	5.3
201.03983	100.0
201.11157	9.3
202.04420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.39524	1.2
57.03075	1.2
57.03318	11.3
57.10805	1.3
59.00118	2.3
59.01242	100.0
60.44862	1.3
71.01244	8.7
72.03362	1.6
73.02801	2.9
81.03323	1.6
83.01254	2.5
83.04881	1.9
83.10687	1.8
85.02786	4.1
87.00722	5.8
97.06454	5.4
99.08020	23.9
101.02282	2.6
107.56415	1.5
112.01530	3.3
113.02302	4.0
127.11164	11.6
129.09058	8.2
139.11162	54.9
141.09088	4.5
151.58015	1.7
155.10670	12.0
157.12248	16.0
159.01376	4.0
176.83377	1.9
183.10197	23.3
201.02547	8.2
201.11255	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0819
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
59.01244	15.3
63.83753	0.5
69.01139	0.4
69.03312	0.5
71.01244	1.1
72.00765	18.7
73.02804	0.7
73.82343	0.4
74.00654	0.6
74.02329	36.4
78.26845	0.5
85.02793	0.7
85.31978	0.5
86.19786	0.4
97.02782	0.6
99.78524	0.4
100.92493	0.4
103.91855	0.5
104.91597	0.4
107.51053	0.6
113.02338	0.8
116.01620	1.2
116.04926	100.0
116.08630	1.0
117.05257	2.3
125.02291	0.6
129.05653	0.6
130.06535	3.0
130.94249	1.1
131.46907	0.4
131.47893	0.5
142.06511	28.2
143.06847	0.7
148.95317	1.1
157.07607	0.6
159.07852	1.0
159.09166	16.4
160.89204	0.6
161.04678	0.5
175.03917	0.7
186.05518	4.5
203.08197	55.9
204.08554	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85058	0.3
55.01745	0.6
57.03310	0.7
59.01242	13.2
62.97607	0.3
67.01741	1.0
68.99667	1.9
71.00872	0.9
71.01241	11.9
71.02808	0.5
71.04879	15.6
71.05273	0.8
72.99167	5.7
73.02815	2.3
75.00724	5.5
79.02428	0.5
81.03310	5.3
83.01250	1.9
85.02817	0.7
87.00732	37.3
87.02857	0.5
89.02299	1.2
96.99177	1.3
99.00737	6.2
99.04378	12.9
100.63530	0.4
101.02304	14.4
103.00236	1.2
111.00738	4.0
112.98667	4.5
115.00238	14.3
115.03889	1.1
115.07653	0.5
117.01797	2.2
125.02315	100.0
125.05948	1.7
126.02671	2.2
127.00230	1.4
129.01830	2.5
130.99728	0.8
142.99742	4.1
143.03409	2.3
143.06982	0.7
145.01326	2.7
145.04904	0.6
154.99771	2.4
157.01465	0.5
169.01266	0.8
173.00841	1.1
175.02394	0.8
187.02438	3.1
187.05991	0.6
205.03485	11.4
205.07108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11118	0.5
52.42161	0.5
57.03317	17.8
57.05482	0.5
59.01021	0.6
59.01241	6.2
69.03300	2.2
71.01230	1.3
71.04865	0.7
75.75320	0.6
81.03294	1.1
83.04871	0.7
83.51081	0.6
85.06434	5.1
93.03310	1.8
93.06927	0.7
95.04865	0.9
97.06441	0.9
107.04888	45.0
109.02833	1.3
109.06468	3.4
112.05032	1.0
115.00275	0.7
119.04897	3.2
120.05683	2.1
121.06446	2.0
123.04381	1.8
123.08021	1.9
131.04907	1.1
133.06442	0.9
135.08038	5.7
136.05196	0.8
137.05951	2.1
137.09583	0.8
145.10049	1.2
147.08052	5.7
148.08800	1.4
149.04810	1.2
149.05968	20.9
149.09625	0.7
161.05965	1.8
161.09598	2.5
162.06784	1.2
163.11180	45.5
164.11406	0.7
171.08038	0.9
175.07588	4.8
177.12741	6.8
187.11203	14.6
189.09154	1.7
190.09926	6.9
205.05135	1.5
205.12282	100.0
206.12610	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.1
57.38847	0.7
59.01243	41.4
59.02411	0.9
64.96043	0.7
67.01742	1.1
71.01241	4.4
72.99163	6.2
73.02802	1.4
75.00731	60.9
75.02404	1.3
85.02795	3.7
85.30451	0.7
87.00719	0.8
88.98658	1.7
89.02293	9.0
93.03304	1.7
99.00732	4.5
101.02306	1.5
107.04873	4.3
109.02858	3.9
117.01791	3.7
117.03381	0.7
119.04817	1.0
121.02807	3.0
122.03587	3.0
123.03783	0.6
123.04396	6.7
129.01804	4.4
133.02832	5.0
135.02872	100.0
135.04355	8.7
135.06908	1.4
136.03185	1.3
136.07555	1.4
137.02390	0.9
139.03891	2.0
141.19000	0.8
143.04919	1.0
145.02834	2.3
147.02866	6.3
148.01598	0.8
148.05144	1.6
149.02325	4.7
149.05902	4.2
150.03111	47.0
151.03915	5.0
158.03613	1.0
159.04382	5.7
161.02374	2.6
161.04619	1.2
161.05966	7.8
162.03102	8.6
163.03903	2.6
163.07533	1.0
177.05469	6.0
178.99780	1.1
179.03424	2.7
179.07112	0.9
181.40445	0.8
207.03030	5.5
207.06569	29.4
207.08549	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.102
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
57.03297	3.9
59.00033	2.6
59.01242	100.0
59.40855	1.7
61.98692	2.8
67.84828	1.8
69.02951	3.6
69.03312	48.2
71.01234	5.4
75.00748	3.9
79.05410	2.0
83.04845	2.3
85.02817	5.3
87.00738	5.9
89.96419	1.8
93.03295	3.1
95.04876	12.5
96.07565	1.9
99.00754	3.8
101.02271	3.0
106.04130	3.0
107.04895	4.2
107.08544	9.7
108.05669	6.0
109.06449	7.4
119.04904	2.1
121.06497	5.0
123.04436	2.5
125.02308	4.2
129.01788	10.3
134.07277	5.8
135.08046	5.3
135.83110	2.0
145.10158	10.6
147.02876	10.9
151.03857	3.6
161.09578	3.1
163.07553	4.1
163.11180	54.5
164.11520	3.1
170.88300	7.7
179.10767	2.7
189.09087	2.6
207.02843	3.6
207.06554	14.5
207.10197	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0609
Annotation	p-Hydroxyphenylacetylglycine
Peak:m/z	Relative Intensity
54.44714	0.6
54.80697	0.5
59.01242	3.9
60.01577	0.8
67.01745	0.6
68.65253	0.5
75.00729	2.1
76.01085	1.4
91.01766	1.0
93.03310	1.8
94.02845	1.3
99.95113	0.7
106.04108	8.0
107.04889	100.0
107.07822	1.3
108.02033	3.4
108.05227	2.3
109.02855	1.0
119.04911	2.6
120.04419	0.8
121.02818	5.9
122.02329	1.2
130.94241	1.0
135.02876	2.7
136.03140	3.8
136.07561	35.7
137.02257	0.7
137.07858	0.8
138.03151	1.1
146.03548	1.0
147.94460	0.9
150.03090	0.9
151.03531	1.2
159.04391	1.1
161.05980	19.2
163.03818	1.1
164.07050	2.6
189.05516	1.0
208.06067	11.1
209.04604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
57.03314	1.3
59.01234	1.5
65.00188	1.9
67.01761	0.4
75.00721	0.4
81.03312	16.7
81.03786	0.9
82.03639	0.5
83.01244	2.2
83.04905	0.6
94.02827	0.6
99.08001	1.4
101.05918	0.6
103.69202	0.5
107.01260	1.7
120.02025	1.0
121.02824	7.2
122.03620	5.6
123.04356	1.0
123.08025	7.8
124.03910	1.1
125.02328	7.5
125.05956	11.1
133.65015	0.5
141.09071	0.9
151.00272	3.4
165.09105	75.3
166.09445	2.1
178.26855	0.5
187.01505	0.5
191.07088	2.2
193.64140	0.4
208.99837	0.9
209.08130	100.0
209.15402	1.8
210.08461	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.26709	2.2
57.03306	4.8
59.01242	100.0
69.03312	8.3
71.01246	5.2
71.04862	2.9
81.06922	2.9
86.59782	3.0
91.73266	4.2
93.06960	10.2
94.60158	3.3
95.31178	3.4
107.08556	6.1
114.38792	3.4
119.08532	45.7
121.02847	13.3
133.36588	3.5
135.11671	48.7
147.11684	66.7
153.09142	3.5
165.12741	6.5
173.09627	4.2
179.10687	29.5
181.12317	8.9
191.10680	32.5
202.31676	3.3
209.11777	52.3
227.62906	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(+)-7-Isojasmonic acid
Peak:m/z	Relative Intensity
50.27201	0.4
53.69814	0.4
55.52272	0.5
57.03314	3.9
58.99957	1.0
59.01242	100.0
59.02382	1.8
60.01593	0.7
64.71773	0.4
65.03804	1.3
66.47579	0.4
67.05393	0.8
69.03313	6.2
71.01240	5.2
71.04881	1.5
74.88813	0.5
77.28122	0.5
81.06952	0.9
83.01286	0.5
83.04886	2.1
84.94483	0.5
90.69948	0.5
91.05405	1.0
91.72863	1.1
91.73382	0.6
93.03319	0.9
93.06303	0.6
93.06947	8.1
94.02823	1.3
95.04896	1.3
96.95873	1.1
97.06480	1.1
106.04121	0.7
107.08511	2.6
109.06451	0.9
111.08038	0.8
118.94086	0.5
119.04829	0.7
119.08534	45.3
119.11804	0.7
120.02015	1.0
120.08879	1.1
121.02819	21.2
121.10095	0.7
124.03900	2.6
133.10124	2.7
135.04431	0.9
135.08104	1.0
135.11674	33.4
135.82639	0.5
137.05969	1.1
145.10072	0.6
147.11681	40.8
148.12021	1.0
149.09572	0.5
153.09082	1.5
161.09599	1.1
163.07466	0.7
163.11185	1.2
165.09117	1.0
165.12729	6.2
166.94267	0.7
173.09596	1.6
179.09164	1.1
179.10693	17.6
181.12280	4.2
181.26517	0.6
191.10703	12.3
209.04506	3.7
209.11775	29.8
209.15057	1.1
210.12036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0971
Annotation	(-)-Methylenolactocin
Peak:m/z	Relative Intensity
51.80561	0.8
58.15274	0.7
59.01245	13.9
64.56696	0.7
71.01236	1.7
82.02817	1.0
85.02789	1.2
97.02809	1.0
99.00711	1.0
106.04021	0.9
109.02818	1.0
112.03982	1.1
121.02784	1.0
123.07992	0.9
125.04288	1.3
127.05034	1.9
139.03831	1.2
149.09619	14.3
150.79236	0.9
151.05984	1.5
153.01772	1.3
156.93848	1.0
166.91016	1.6
167.10683	100.0
168.11038	2.3
176.23341	1.0
181.01350	2.5
196.03654	2.1
199.57721	0.8
204.00104	0.9
211.05963	1.5
211.09674	5.9
211.13341	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45615	0.6
57.03312	0.6
59.01242	17.1
68.69469	0.6
71.01241	3.3
71.04865	0.6
81.03309	1.4
83.04879	4.5
88.71652	0.4
90.44517	0.4
91.72666	0.9
109.06462	1.1
109.10077	0.5
111.15491	0.5
121.10082	0.5
135.11649	1.7
139.11183	0.7
149.13220	1.6
153.72697	0.5
163.11105	2.3
165.12755	1.1
167.14316	1.0
175.11084	0.9
181.12248	22.3
183.13879	1.1
193.12262	20.3
194.12585	0.9
211.13342	100.0
212.13657	3.1
228.79546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05987	5.1
52.03473	5.0
54.29687	5.4
55.30623	5.8
56.91447	5.2
56.97118	5.5
59.01237	27.4
61.94449	5.7
71.01254	9.5
74.01586	6.2
83.04845	8.0
85.02833	8.9
109.02809	7.8
109.03914	8.1
124.03945	10.4
127.05038	18.8
137.02386	8.4
151.06006	8.0
156.93793	15.6
158.22487	8.1
166.90948	14.5
167.10641	11.9
173.50414	7.4
181.12270	27.8
193.05006	8.7
193.12288	34.4
211.03981	7.7
211.07635	15.7
211.13335	100.0
225.13707	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09156	0.8
59.01243	13.1
60.60773	0.8
71.01231	2.8
81.03331	1.5
83.04459	1.1
83.04874	6.4
94.12492	0.9
121.10108	0.8
135.11667	1.4
149.13220	2.7
161.01405	0.9
163.11162	3.0
167.14317	2.0
175.11147	1.1
181.12267	24.4
183.13857	1.6
184.08316	1.0
193.12274	28.3
211.13345	100.0
212.13660	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
50.88067	1.2
55.01745	1.4
59.01237	3.4
60.49700	1.4
69.03307	10.6
71.04877	100.0
71.06416	1.7
80.04916	3.5
85.02782	1.5
87.00743	2.2
87.04369	2.2
96.95871	3.7
97.02792	10.2
97.06449	9.6
106.04057	2.3
107.04887	2.3
108.55808	1.4
109.02838	1.8
113.09485	1.8
115.03874	18.9
115.07516	20.2
116.56075	1.6
123.05515	3.4
123.07986	2.1
125.09584	5.4
126.06722	2.8
127.11163	51.5
141.09059	1.7
141.12733	3.5
143.10556	2.5
151.11127	7.5
152.91585	2.8
154.90550	2.2
155.07101	1.7
167.90448	2.0
169.12242	94.0
170.12659	3.4
197.99168	1.8
213.07477	2.3
213.09215	6.8
213.11298	25.6
213.14784	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
50.44888	1.0
53.40779	1.0
55.42362	1.0
57.03319	1.7
59.01240	7.2
59.01469	1.3
71.01206	1.1
71.09888	1.2
71.26648	1.1
74.21784	1.2
80.04921	8.9
81.03294	2.1
83.04871	15.5
87.00695	1.5
87.13533	1.2
87.78713	1.6
93.03296	2.6
93.89328	1.3
95.04848	4.8
97.06441	7.6
106.04105	6.5
107.04893	9.6
111.04373	1.8
121.02769	2.5
123.05507	9.0
123.08008	1.5
149.09590	7.9
151.11177	37.2
169.06400	2.5
169.12238	22.5
194.99242	2.0
195.10191	26.0
213.09123	15.8
213.11218	100.0
213.14734	5.5
213.18362	2.0
214.11646	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1126
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
51.59330	0.6
57.03301	2.1
59.01233	1.2
69.03313	1.0
72.99197	0.8
77.69057	0.6
78.48572	0.7
79.95595	1.0
80.04904	1.0
83.04860	2.1
84.67684	0.8
91.07579	0.8
97.06443	0.8
106.04061	0.8
107.04897	1.2
109.06454	0.8
109.84632	0.6
111.08005	5.0
120.27974	0.7
123.04518	1.0
123.05516	0.9
123.08021	41.9
125.09580	4.4
130.08652	1.1
137.09616	7.3
139.11160	67.6
140.11523	1.4
151.11177	8.3
151.21268	0.7
153.09039	1.1
167.10638	2.2
169.12244	6.8
181.53198	0.8
213.01274	1.6
213.05550	2.0
213.11256	100.0
213.14720	2.9
214.11589	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03316	100.0
58.50051	1.8
59.01236	3.6
69.03310	15.4
71.01236	2.2
71.04880	10.7
77.78820	1.9
80.04887	2.4
81.03298	2.0
81.06953	8.8
83.01255	4.0
83.04866	13.8
85.82544	1.9
95.04883	5.1
97.05849	4.2
97.06451	69.1
99.08014	33.9
106.04125	2.8
107.04893	23.3
112.03780	2.6
113.05949	12.7
113.09599	2.4
122.03581	2.7
123.04417	6.0
123.08028	3.5
124.04888	2.3
125.05949	33.5
125.09589	33.6
126.03046	2.9
130.08598	7.7
130.67314	2.1
135.08023	5.5
136.05182	8.0
137.05954	4.9
148.58946	2.4
151.07553	4.4
151.11215	5.4
153.05412	3.0
168.91084	2.6
169.06526	3.0
169.12245	37.4
177.09103	6.3
195.10193	91.3
196.10542	3.8
213.09164	10.5
213.11232	59.1
213.14880	7.9
221.30327	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1127
Annotation	Epicitreodiol
Peak:m/z	Relative Intensity
53.73258	2.3
55.01749	2.2
56.81592	2.0
57.03313	9.6
57.22040	2.4
59.01241	11.9
66.03335	3.3
69.03312	2.9
71.01240	5.3
71.04892	2.1
72.04432	2.3
72.80238	2.1
80.04906	12.2
83.04878	8.5
85.02801	26.7
87.00787	2.6
93.03348	4.5
106.04114	9.9
107.04886	17.6
109.06445	8.5
111.08049	3.1
121.73878	2.3
122.02315	3.4
123.04705	2.8
123.05499	16.6
127.07516	100.0
128.03500	3.1
130.08612	32.2
133.10164	3.7
142.12291	3.4
149.08395	2.5
149.09615	7.3
151.11188	10.2
169.15834	3.9
170.08171	3.1
195.10181	19.4
211.03485	2.7
213.07323	4.1
213.09175	33.6
213.11307	57.9
213.14937	11.0
213.18573	4.7
214.10881	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78199	3.0
51.49464	3.1
53.36156	2.9
54.42605	2.9
57.03317	3.6
59.01240	66.7
62.26675	3.3
64.82498	3.6
70.02840	4.3
71.01241	62.0
73.02843	5.4
78.95794	17.7
81.03350	3.8
82.02838	23.0
83.01237	8.4
84.04404	5.3
85.02842	10.8
86.02322	6.8
87.00749	7.0
88.03923	4.0
89.02299	100.0
89.02819	6.7
94.97982	8.0
96.00794	10.0
96.96818	9.0
97.02834	6.0
100.03915	10.2
101.02301	41.0
101.49553	4.0
107.50580	3.7
113.02358	16.0
114.01876	11.9
117.01843	11.5
119.03393	11.7
128.03439	7.6
131.03485	8.8
131.04526	10.4
134.69604	4.4
137.46068	4.3
149.04578	3.6
151.95134	4.3
156.50642	5.0
161.04567	6.5
179.05518	27.7
198.04120	5.1
215.01015	6.6
215.03270	24.6
215.06807	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1028
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
50.66161	0.5
51.01790	0.5
52.99332	0.5
54.21697	0.5
59.01241	8.1
60.01569	2.2
67.87042	0.6
71.01237	13.8
71.04879	21.9
85.97268	0.7
88.01726	1.4
88.03893	100.0
99.04368	6.6
106.92790	0.7
116.07033	3.4
129.05435	1.9
137.65865	0.6
146.08113	57.6
174.99007	1.2
175.48831	0.6
175.99522	1.1
206.00009	0.8
218.00507	0.8
218.04570	3.7
218.08357	1.4
218.10275	29.2
219.10593	0.9
219.17508	3.5
226.44099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0971
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
53.64294	0.5
54.34208	0.6
57.03318	0.9
59.00098	1.7
59.01242	73.0
59.02493	1.0
60.01567	0.8
61.01646	0.6
62.13308	0.7
69.03295	1.2
71.01243	0.7
81.06937	1.0
83.04874	1.8
106.04115	1.6
107.04871	0.7
107.08508	9.1
132.09207	0.8
133.10143	4.0
135.11676	31.9
136.12004	1.1
159.08049	1.7
161.09599	6.4
169.45866	0.9
170.23389	0.8
177.09120	2.3
179.10686	100.0
180.11049	3.6
224.67337	0.7
232.65364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45434	0.8
59.00044	1.4
59.01242	85.2
60.01577	1.6
61.01669	1.4
62.09522	0.8
67.05383	1.1
69.03309	2.5
71.01235	1.8
76.26438	1.0
83.04845	1.2
95.66592	0.9
97.02766	1.0
105.07017	1.0
106.04125	2.6
107.08515	10.1
121.08316	0.9
133.10130	3.2
135.11673	28.8
136.11963	1.1
141.01611	3.0
150.40118	1.1
154.20313	1.1
159.08060	2.0
161.09636	8.7
165.01938	1.1
175.18971	1.0
177.09145	3.0
179.10687	100.0
180.11002	3.4
188.67982	1.0
223.06125	1.4
223.08102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.10763	0.6
53.46048	0.5
55.61012	0.5
55.69300	0.6
57.03311	1.3
57.54018	0.5
59.01243	16.8
60.01582	0.5
60.39834	0.5
61.01657	0.9
61.98660	0.6
69.03005	0.7
69.03316	7.5
71.01225	1.2
71.04872	2.0
83.04888	1.3
85.06456	1.5
88.22003	0.6
89.02282	0.6
93.03310	0.8
95.04868	1.7
95.66606	0.6
97.06415	0.6
108.05636	1.1
109.06449	1.5
111.26464	0.7
125.09574	0.7
135.11650	0.8
141.01576	2.6
149.09575	1.8
150.46240	0.7
151.03856	1.0
151.11169	0.8
161.13223	1.5
165.01698	0.6
166.06245	2.1
167.10667	9.4
177.12743	1.5
179.10721	4.0
179.14331	9.4
187.11276	1.0
195.13835	28.2
195.15671	1.3
196.14137	0.8
205.12276	21.7
206.12637	1.0
223.13354	100.0
224.13676	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0875
Annotation	Porphobilinogen
Peak:m/z	Relative Intensity
53.16180	1.0
55.24975	1.2
56.43475	0.9
58.02823	5.2
59.01244	7.0
66.03333	3.8
67.01748	10.4
68.04902	1.5
69.03310	18.8
71.01236	6.6
72.00753	3.7
72.93221	1.0
74.02328	18.9
75.00700	1.0
75.04900	1.2
78.95758	1.7
79.01743	11.1
79.56391	1.0
80.96377	1.1
81.03300	1.1
82.02295	1.0
82.02823	4.6
84.04400	15.1
85.02786	1.6
86.02325	8.8
89.02296	5.6
90.13847	1.1
93.03307	2.5
96.04401	36.4
96.96817	2.3
97.02821	1.4
98.02301	1.1
101.02275	1.5
101.07058	19.2
109.02811	1.5
109.03935	3.4
110.02334	2.4
125.02367	1.3
125.03350	1.3
125.26924	1.1
127.04998	13.4
128.03403	37.9
136.03876	3.7
136.07533	1.9
137.00677	2.2
137.02394	2.8
137.03430	12.1
138.05478	4.9
147.04395	1.7
150.05421	3.1
164.07094	3.3
177.06642	2.2
179.05501	2.5
179.08163	4.9
181.09740	10.1
205.06161	1.7
207.07697	44.8
208.08078	2.0
225.00415	1.8
225.08772	100.0
226.08963	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1128
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
50.33149	0.8
59.00972	0.6
59.01244	8.9
71.01233	0.4
81.03326	0.8
83.04889	3.4
85.78242	0.4
95.04890	0.4
97.06470	0.4
106.04082	0.7
107.04865	0.4
107.08512	0.5
109.06454	4.9
135.05370	0.4
135.08015	0.5
137.02287	0.4
145.10124	1.8
161.09637	0.6
163.11179	11.3
181.05774	0.9
181.12254	100.0
182.12601	3.8
189.09135	1.0
207.10162	3.6
225.11287	34.7
226.11594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26793	0.5
57.03321	0.8
57.11442	0.6
59.01230	1.1
66.03338	3.3
70.02842	10.2
71.04882	0.9
72.04376	1.0
73.13240	0.7
76.56331	0.7
76.90253	0.8
80.42554	0.7
82.02837	4.0
82.06480	4.4
84.08051	1.8
85.02809	0.8
98.02333	100.0
98.04843	2.0
112.98660	1.2
130.08649	1.1
134.51534	0.8
153.75478	0.9
155.11806	2.1
165.10168	3.7
183.11339	2.9
227.10355	4.6
227.12540	1.5
227.20137	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.97430	1.8
56.33179	2.0
59.01237	3.1
61.15560	2.0
63.89567	2.0
85.02793	2.4
88.94552	2.4
91.72879	2.7
165.12715	17.9
168.91380	3.6
183.13823	100.0
201.32309	3.0
208.93336	4.4
209.11906	6.1
209.70012	2.6
227.12854	17.8
227.20244	9.3
234.70340	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1397
Annotation	Leucylproline
Peak:m/z	Relative Intensity
54.46326	0.5
56.97771	0.3
58.02818	1.2
59.01233	0.6
69.77677	0.3
70.43553	0.3
70.84148	0.3
71.01222	0.8
72.00761	1.6
74.01945	0.6
74.02325	7.6
82.02841	2.1
83.04845	0.6
84.04403	8.6
85.02806	0.5
85.86016	0.3
86.02324	3.1
95.11505	0.3
99.00743	0.5
101.07047	0.7
111.00757	0.5
112.98669	1.2
123.04441	0.4
127.04949	0.5
128.03404	15.6
129.59241	0.3
130.39143	0.4
140.10689	3.0
152.10670	1.0
153.10205	1.3
154.12193	0.6
166.12221	0.5
173.00818	0.3
179.11801	1.0
181.13362	2.7
183.14948	6.2
203.26784	0.3
209.12906	16.9
210.13242	0.5
227.13969	100.0
227.23051	1.0
228.14287	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0125
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
51.13769	1.6
59.01228	6.0
71.23174	1.7
73.01012	6.2
80.04889	2.5
82.02830	7.8
91.73122	7.7
96.04402	33.0
98.98956	7.1
108.04417	26.1
114.00060	94.5
122.06020	2.2
128.03432	2.4
130.08575	5.1
133.38591	1.8
140.22591	2.0
142.03204	100.0
142.34409	2.1
143.03609	2.3
144.19885	1.8
169.27312	2.0
186.02228	38.9
187.10756	5.6
230.01256	81.8
231.13481	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1337
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
52.35047	0.3
57.23429	0.3
58.99928	1.3
59.01242	100.0
59.02422	1.9
59.38424	0.3
60.01597	0.4
61.01664	0.4
66.03368	0.3
70.68455	0.3
71.01242	1.2
73.02814	0.4
85.02802	0.7
92.92648	0.6
93.03314	0.4
94.02853	2.3
95.04906	1.3
101.02292	0.5
106.04121	0.4
107.04866	0.4
109.06454	0.5
120.02052	0.4
121.02805	1.3
133.06505	0.3
134.07248	0.4
134.87317	0.3
147.08067	0.8
149.09607	1.6
163.11182	29.8
164.11540	0.8
174.05447	0.5
175.11275	0.8
189.12738	0.8
191.14337	12.7
192.06647	0.4
217.06152	1.2
217.12260	3.2
235.07384	0.9
235.13370	30.9
236.13818	1.6
236.96779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0613
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
56.40827	0.2
57.03073	0.2
57.03321	2.7
58.53013	0.2
59.01017	0.2
59.01250	1.7
59.98360	0.2
62.01962	0.2
63.56730	0.2
65.38528	0.2
65.86575	0.2
71.01239	0.8
72.99171	0.4
75.00741	0.5
85.02806	2.4
86.98642	1.5
87.00735	100.0
87.03071	1.1
88.01051	1.5
89.02296	0.3
99.00702	0.2
100.09638	0.2
105.51669	0.2
107.09611	0.3
117.01801	0.2
129.01813	16.7
130.02153	0.3
144.26491	0.2
209.09126	0.2
216.98418	0.2
218.07007	0.2
219.05186	0.6
237.06139	4.8
243.10037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0612
Annotation	3-Deoxy-D-manno-octulosonate
Peak:m/z	Relative Intensity
57.03316	2.8
59.01256	1.7
61.98685	1.9
65.55843	0.3
68.99738	0.3
71.01238	0.8
73.86496	0.3
74.02337	0.3
75.00735	1.6
78.57181	0.3
79.82219	0.3
83.87827	0.3
85.02800	2.1
85.47459	0.3
87.00734	100.0
87.02831	1.7
88.01058	1.2
89.02303	8.2
89.03474	0.3
90.52234	0.4
99.00738	0.6
112.05025	0.3
129.01814	18.5
134.45517	0.3
147.02899	0.7
237.06157	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1494
Annotation	5,8-Dihydroxy-14-nor-7-marasmanone
Peak:m/z	Relative Intensity
50.03724	0.4
52.06433	0.5
55.34493	2.1
55.70538	0.4
56.53515	0.5
57.94677	0.5
59.01232	1.9
59.01494	0.5
60.87000	0.6
63.26622	0.4
71.68021	0.4
71.69358	0.5
73.29314	0.5
75.00719	1.2
75.60394	0.5
78.19246	0.5
79.21414	0.5
102.94707	0.5
135.08003	3.2
135.73524	0.6
136.05209	1.1
174.10342	1.6
175.11188	3.3
176.08327	3.8
177.08887	0.6
177.12718	1.3
189.12779	11.9
190.13126	1.0
191.10696	2.4
193.12311	3.7
207.13847	83.9
208.14250	3.3
235.13316	1.1
237.05609	1.3
237.14941	100.0
238.15239	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27522	0.2
61.97246	0.9
61.98692	100.0
61.99941	1.9
78.95760	0.6
91.73389	0.2
96.00761	0.4
96.96815	0.5
107.74779	0.3
110.89220	0.3
125.00327	0.3
127.05007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1963
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
50.33901	1.1
58.99998	1.5
59.01245	100.0
66.03348	1.6
68.98729	1.6
82.02831	4.0
97.02843	1.2
107.80151	1.4
110.02344	12.4
111.64765	1.2
122.02377	1.8
127.27531	1.4
182.98587	1.5
200.05687	3.6
243.06430	4.8
243.15956	2.6
243.19627	37.3
256.64929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0429
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
50.76375	0.2
59.01244	0.6
60.73703	0.3
68.65845	0.3
73.56890	0.3
78.93882	1.5
78.95760	100.0
94.97956	0.5
95.45321	0.3
96.96822	10.3
108.34592	0.3
117.80704	0.3
128.10533	0.3
150.97905	1.1
152.94426	0.9
152.99472	74.4
153.99817	1.0
154.88750	0.4
154.89902	0.3
171.00540	31.7
172.00934	0.4
244.93953	0.9
245.04301	79.7
246.04736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20784	0.3
62.02006	0.3
63.41018	0.3
78.93811	1.4
78.95759	100.0
78.97421	1.2
96.96247	0.6
96.96825	9.7
109.47413	0.4
111.59301	0.3
150.97922	0.9
152.99474	69.4
153.99876	0.8
154.89819	0.3
171.00543	31.5
245.04295	69.1
246.04646	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	5.1
69.03304	1.3
91.05389	2.3
106.04129	1.9
107.82622	1.4
119.08518	1.9
129.12579	1.6
131.08508	5.1
133.10101	9.6
165.05251	1.4
174.99147	2.7
175.07484	3.6
177.09157	5.0
199.07297	10.1
200.07912	1.5
201.08904	10.0
215.06891	4.8
233.07913	22.9
245.07942	100.0
246.08354	3.7
263.09106	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59045	2.2
59.01226	11.9
60.82776	2.9
62.58910	2.1
69.03324	2.9
69.38599	2.5
73.44834	2.4
87.00710	4.1
91.05388	7.0
91.72997	7.6
105.06967	3.1
107.08467	2.9
111.72266	2.6
119.04793	2.9
131.08560	7.9
133.10106	22.9
148.08823	3.8
163.03627	3.0
174.99146	7.9
189.09122	2.9
199.07346	32.8
201.08908	31.5
204.42497	3.1
215.06863	15.0
219.09993	11.5
233.07935	81.0
245.07951	100.0
263.09082	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91771	2.7
54.12536	2.3
57.08305	3.0
58.99449	4.0
59.01232	23.9
71.98991	12.1
74.00552	43.9
78.83204	3.4
82.02393	4.8
82.02842	55.3
82.06473	2.8
82.19124	3.0
83.98972	5.9
89.02310	4.6
99.90431	3.4
107.06020	15.5
117.99512	5.0
125.07075	68.8
126.90345	8.7
127.05012	11.9
128.03409	100.0
132.98114	5.1
151.04994	21.6
169.06097	46.3
169.23814	4.0
174.99236	8.0
185.03819	59.8
186.95522	12.6
203.04884	11.8
207.25931	4.3
229.02837	36.1
247.03864	8.1
247.06346	4.3
247.09900	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0549
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
54.42913	1.4
58.09010	1.3
59.01237	7.5
66.11293	1.7
74.02345	3.0
75.00744	2.9
82.02856	2.1
82.54601	1.9
84.04401	3.5
86.02330	10.1
91.73346	3.4
115.42205	1.9
120.01103	11.0
127.05077	3.8
127.08630	14.1
128.03410	100.0
144.31310	2.6
153.06606	5.9
171.07654	49.9
171.09038	3.6
179.04637	2.2
189.04031	2.5
205.12221	2.0
231.04478	2.9
240.72847	2.1
249.05592	6.2
249.14992	3.4
250.14423	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0549
Annotation	gamma-Glu-Cys
Peak:m/z	Relative Intensity
53.96717	0.6
58.02853	1.4
59.01252	3.6
60.53210	0.6
72.00790	0.9
74.02329	3.8
75.00732	1.5
82.02862	2.8
84.04401	4.5
84.28387	0.7
86.02327	12.3
86.02791	1.0
88.03916	1.5
96.04414	1.1
102.98495	1.7
109.07640	0.8
110.23583	0.6
120.01104	11.0
120.01916	0.7
121.02797	5.7
123.64194	0.8
126.39643	0.8
127.05018	4.3
127.08636	15.6
128.03403	100.0
129.03743	1.2
129.78265	0.8
141.08997	0.7
153.06613	7.7
171.07654	48.8
179.04515	1.1
186.92271	0.8
191.03371	4.4
213.03290	1.3
215.06793	2.3
231.04385	4.3
249.05560	7.1
249.07773	1.0
249.11371	1.2
249.14949	1.1
250.14629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1343
Annotation	1-(S)-Methylbutyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01738	5.7
57.03310	7.9
57.62072	4.0
59.01243	100.0
71.01239	76.5
72.99160	4.8
73.02808	37.6
75.00748	4.9
83.01252	19.5
84.45528	3.8
85.02798	54.5
87.00752	8.3
89.02287	9.8
99.00766	13.4
101.02302	92.0
113.02306	37.1
127.08655	5.5
128.03421	31.7
161.04465	18.2
171.07632	7.7
205.12398	5.4
249.13475	19.7
250.14481	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1855
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
50.12425	0.3
51.73026	0.3
52.43249	0.3
52.89360	0.3
59.00973	0.4
59.01239	4.8
61.98670	0.3
71.01200	0.4
72.20346	0.3
79.95600	0.4
83.04858	0.9
91.73448	0.7
101.46214	0.4
177.16374	0.5
184.00121	0.8
184.50255	1.3
184.99985	1.4
205.19456	1.7
231.17511	1.4
247.17000	0.6
248.58165	1.5
249.08469	1.1
249.18587	100.0
249.29587	0.8
250.14651	0.6
250.18921	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1857
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
54.13067	2.1
59.01233	11.0
65.61693	2.2
81.03241	2.5
81.23337	2.4
87.00717	3.0
91.72664	2.8
115.00244	2.6
205.15958	20.7
248.58076	3.5
249.07889	5.7
249.14970	31.1
249.18614	100.0
250.14511	19.6
250.19102	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
56.62023	0.9
59.01241	6.0
65.16297	0.4
77.03891	0.5
81.73978	0.5
82.02850	1.0
84.04389	0.6
85.02811	1.9
100.03939	1.0
119.04892	0.8
120.04418	54.0
120.99171	1.1
121.02818	85.9
121.04699	1.9
121.06125	0.9
122.03177	1.6
128.03389	7.0
133.06471	1.3
142.06473	0.5
144.08051	1.0
146.05997	2.1
154.91055	0.6
160.03949	2.0
160.07593	6.4
162.09140	41.3
163.09496	1.8
170.06036	3.0
188.07077	8.5
203.04576	0.5
206.08165	54.6
207.08470	2.8
232.06123	18.8
232.07858	0.6
233.06412	0.8
250.07196	100.0
251.07509	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.056
Annotation	caffeoylglycolic acid methyl ester
Peak:m/z	Relative Intensity
53.14352	1.1
59.01238	11.6
63.95152	1.1
71.01237	1.5
71.21603	1.3
72.99159	4.7
73.70201	1.0
79.84460	1.1
85.02814	1.4
89.02289	3.8
90.89706	1.1
102.05461	10.2
107.04914	2.0
109.01569	5.0
128.03412	9.0
133.02776	6.6
134.03586	4.2
135.04396	100.0
136.04764	1.7
136.07565	1.4
138.05444	1.3
150.03117	16.0
161.02335	9.4
163.03926	3.5
177.05435	1.9
179.03410	82.5
180.03842	3.2
186.06590	1.9
192.06589	4.3
199.58989	7.7
200.09119	5.4
206.94423	1.4
221.58412	6.1
222.08603	1.9
227.08202	2.9
228.59248	5.5
237.82951	1.8
241.09729	3.1
250.58762	6.4
251.05627	11.2
251.09116	3.1
252.08803	7.8
255.11484	3.1
256.11548	2.0
269.13177	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06549	0.3
53.91746	0.3
55.71716	0.2
59.01239	4.8
59.37252	0.3
71.01239	3.8
72.99155	0.5
73.02789	0.3
75.00725	0.6
81.99165	0.3
83.01232	0.3
85.02811	1.6
87.00723	1.1
88.03931	1.4
89.00193	1.5
89.02296	100.0
89.04710	1.1
90.02631	1.3
95.01234	0.4
101.02309	2.7
103.03834	0.4
111.00687	0.4
113.02284	2.8
119.03360	0.8
131.03362	0.3
161.04427	0.8
163.04062	0.4
165.02156	0.3
190.01811	0.5
251.02216	0.4
251.05734	0.4
251.07721	10.6
252.08607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2011
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
57.03318	1.0
59.01240	4.0
68.17357	0.3
72.68806	0.4
79.62457	0.3
81.03366	0.4
83.04862	0.4
89.02266	0.7
98.57065	0.4
102.04961	0.4
120.91381	0.4
122.42934	0.5
126.90237	0.6
130.24919	0.4
168.91316	0.9
207.13905	0.4
233.19054	1.7
251.12917	1.5
251.20154	100.0
252.20474	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
56.19839	0.3
56.36002	0.3
59.01244	2.4
61.83066	0.3
83.04876	0.6
89.02322	0.6
125.52734	0.4
222.26564	0.4
232.30405	0.4
233.19135	1.2
251.10223	1.0
251.20155	100.0
252.20503	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73961	0.1
54.96806	0.1
55.33124	0.1
58.38100	0.1
59.01241	2.9
60.01563	0.3
61.46597	0.1
61.97434	1.8
61.98694	100.0
62.98390	0.2
71.01242	0.5
72.78651	0.1
75.00731	2.4
89.02313	0.4
91.72683	0.3
99.00774	0.3
101.02322	0.2
111.74536	0.1
112.98676	0.4
124.00528	0.2
127.05042	0.3
134.80797	0.2
142.99780	0.5
152.26363	0.2
173.00880	0.3
236.00462	0.2
254.01563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0662
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
51.69987	0.4
54.22073	0.2
55.52725	0.3
59.01241	2.1
63.02253	1.3
65.00185	15.8
67.01736	0.8
68.31010	0.3
68.99673	2.8
73.02831	0.3
75.00725	2.7
78.95735	0.3
81.03318	0.5
83.00789	0.5
83.01242	6.8
83.09528	0.3
89.02267	0.3
90.88954	0.3
96.95852	1.2
101.03824	0.6
104.19070	0.3
107.01250	15.8
108.99187	0.3
115.05364	0.8
120.02045	0.6
125.02310	1.3
127.05334	0.5
130.04077	0.4
131.08173	0.4
133.02808	1.3
141.06972	2.3
143.04927	0.8
145.06482	7.1
146.06818	0.4
151.00258	27.4
152.00574	0.8
152.91658	5.0
155.08531	0.9
157.06451	0.4
164.01024	0.7
167.90392	1.4
168.03534	0.3
169.01389	0.7
169.06508	5.7
170.92761	0.3
171.04424	19.5
172.05185	3.2
172.87950	0.4
183.08067	2.8
185.06122	0.4
187.07556	2.7
193.06561	0.7
194.92734	6.7
196.05252	0.4
209.06010	0.3
211.07593	14.8
212.07928	0.5
212.93875	2.0
213.05545	3.0
219.84453	0.6
237.05507	1.0
255.06630	100.0
255.23282	7.7
256.06946	4.7
257.81561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41116	0.3
51.36274	0.3
65.64610	0.3
78.31645	0.3
86.16528	0.3
101.23203	0.5
107.04921	0.5
107.30832	0.4
114.86431	0.4
118.02226	0.3
118.82893	0.3
127.00212	0.4
130.08611	68.0
130.12575	1.0
131.08955	1.0
143.11740	0.6
146.37126	0.3
168.13797	0.9
170.15422	0.4
172.79712	0.3
172.94643	0.3
197.16522	4.8
212.09210	1.4
213.19659	4.0
240.08823	1.1
257.18701	100.0
257.29639	1.0
258.19006	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32143	0.4
53.43457	0.5
57.03310	0.6
67.01752	1.1
72.04410	3.1
81.02051	2.9
82.02843	10.7
83.01249	7.0
84.08078	0.7
93.85008	0.5
98.02334	11.6
99.00739	2.5
110.02358	1.0
111.03078	0.8
112.07558	1.2
127.00245	6.5
130.08617	100.0
130.12805	1.1
131.08983	6.3
140.07056	5.0
140.10716	1.1
142.12236	5.6
150.09196	1.0
152.05922	0.9
152.10707	17.6
168.10205	12.7
170.11769	0.8
185.53149	0.6
186.11339	1.1
196.09732	21.8
197.10149	0.9
197.16533	1.0
212.09239	64.8
212.18175	0.7
213.09616	2.5
214.10844	4.2
239.99599	0.6
240.08768	37.4
241.09077	1.8
257.18695	21.8
258.09863	14.4
258.19043	15.4
259.10196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Hexose 6-phosphate
Peak:m/z	Relative Intensity
54.54297	0.2
58.02826	0.5
59.01241	0.6
68.28410	0.3
70.02834	3.2
71.01241	0.9
71.02369	0.3
72.00749	0.4
72.04405	0.9
74.02331	0.5
77.71890	0.3
78.94109	0.8
78.95758	66.4
78.97659	1.0
78.98412	0.4
82.02834	7.1
83.01244	0.5
84.04405	0.6
86.02308	0.4
88.03873	0.5
95.02353	0.8
96.00768	11.1
96.96818	100.0
96.99413	1.5
98.02339	3.7
99.00693	0.3
100.03904	2.1
101.02284	0.6
101.07049	0.6
109.03937	1.2
110.05998	0.3
113.03422	5.7
114.01833	7.1
115.00217	0.6
121.92330	0.6
124.24213	0.3
125.03396	0.3
126.01829	0.9
127.00228	0.4
127.05004	5.4
128.02443	0.3
128.03407	6.9
131.04500	12.6
138.97902	5.3
145.06081	4.8
151.05046	0.6
153.06616	0.3
158.66425	0.3
168.98976	2.9
169.06137	0.7
171.00618	0.4
171.07967	0.3
179.04535	1.4
190.12332	0.3
191.11440	0.2
195.04044	0.3
197.05585	0.7
198.03963	0.4
199.00072	3.0
213.05046	1.4
223.00143	0.5
223.03531	0.3
224.06708	2.5
241.01187	0.9
241.04619	5.0
242.07808	2.2
259.02258	12.0
259.05444	0.9
260.02557	0.6
260.08844	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1298
Annotation	Gamma-Glu-Leu
Peak:m/z	Relative Intensity
56.57864	0.3
58.39416	0.3
63.68869	0.3
70.02865	0.3
74.02322	1.0
82.02847	2.7
82.06495	0.4
84.04409	2.7
88.23720	0.3
112.03925	0.8
121.40309	0.3
122.04703	0.5
126.02816	0.6
126.09095	0.3
127.05009	1.3
127.99671	1.3
128.03407	100.0
129.03751	1.4
130.04784	1.0
130.08612	86.3
131.08937	2.1
132.18513	0.4
135.37773	0.4
141.10229	1.6
151.08649	1.0
152.10622	0.4
153.10167	0.8
169.09584	0.5
169.13361	0.6
171.14786	0.4
179.11810	3.1
197.12875	10.2
198.13139	0.7
215.13956	0.5
223.10840	9.5
241.11916	18.8
242.12314	0.7
252.39230	0.4
256.55945	0.3
259.13007	12.8
260.13272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	7.2
67.02864	1.0
67.75067	0.5
70.02837	16.9
71.01235	1.2
71.02354	2.2
72.00754	2.9
74.02332	4.0
78.95761	9.8
82.02834	2.1
84.04404	5.4
86.02322	3.9
86.02779	0.5
87.05496	0.8
88.03896	1.6
88.40266	0.6
92.41099	0.7
95.02373	6.6
96.00772	10.2
96.96818	13.8
98.02354	1.0
98.97244	0.7
99.05493	1.3
101.07050	4.3
109.03944	13.4
110.04328	0.6
111.01865	2.5
113.03432	39.7
114.01836	46.0
115.02187	0.7
117.11412	0.6
125.03447	2.2
127.05009	46.9
127.08739	1.0
128.03409	61.8
129.03764	0.8
131.04500	100.0
132.02829	0.9
132.04829	1.6
132.07307	0.5
145.06076	54.0
146.04495	0.8
146.06416	0.9
155.08073	0.8
171.07697	1.9
173.09256	0.8
180.07707	3.1
181.06134	1.8
198.08739	1.0
199.07227	1.4
200.00429	0.7
215.06755	2.3
217.08267	0.7
224.06720	23.4
225.05168	1.0
225.07176	0.9
239.69427	0.6
242.07806	23.3
243.06235	2.3
243.08380	0.8
260.02689	1.5
260.08890	16.5
260.11508	1.1
261.07248	6.2
268.53998	0.6
272.93433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02836	6.8
59.01244	1.0
63.27564	0.5
67.02882	1.2
70.02835	15.1
71.01234	1.8
71.02358	2.6
72.00758	2.4
72.04404	1.0
74.02333	3.4
76.22868	0.6
78.95764	14.1
79.95598	0.9
82.02849	5.5
84.04403	4.1
85.03915	0.7
86.02348	3.4
88.03899	3.1
91.73351	1.5
91.81331	0.6
95.02369	5.6
96.00776	12.7
96.96821	22.6
97.01103	1.7
97.03902	1.1
98.02332	2.1
98.97302	1.0
100.03909	2.3
101.07078	4.0
109.03931	11.8
111.01859	2.1
112.98621	0.7
113.03432	33.6
114.01836	42.0
114.03805	1.5
115.00253	3.1
115.02168	1.8
119.04929	1.0
125.03429	2.5
127.05009	47.4
127.08737	0.8
128.03413	54.1
128.07098	0.8
129.03752	1.8
131.04500	100.0
131.08322	1.3
132.02898	1.5
132.04868	1.8
137.07053	0.9
145.06075	54.4
146.04475	1.3
146.06436	1.1
155.08186	1.7
155.30038	0.8
156.06612	1.0
157.06087	0.7
171.07635	3.4
172.15886	0.7
173.09189	1.6
180.07730	2.2
181.06117	2.4
192.45987	0.6
198.04030	0.7
199.07211	1.8
215.06731	4.4
217.08249	1.3
224.06731	21.8
224.08928	1.4
225.05148	1.7
242.05258	1.8
242.07811	20.4
243.06180	3.9
243.08342	0.9
260.02621	3.6
260.08875	17.3
261.07242	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02236	0.6
57.03301	0.9
59.01233	1.6
66.03316	0.8
69.03304	2.8
72.00249	1.0
72.04398	3.7
84.08089	0.8
85.02807	25.4
89.12571	0.8
94.02881	1.0
97.08276	0.8
101.02303	15.9
102.55798	0.7
111.81483	0.8
113.02303	1.7
124.03873	2.2
128.97466	0.9
129.01808	85.7
129.07297	10.2
130.02118	1.7
130.08611	100.0
131.08972	1.3
142.12262	11.0
146.26064	0.8
150.53767	0.8
152.10703	1.1
154.12271	1.0
155.10666	1.4
160.13228	0.9
168.10213	4.7
170.11810	6.4
173.06299	7.0
180.10268	1.6
198.11298	2.4
214.10678	1.0
227.93089	0.8
235.24701	1.0
238.03452	1.0
242.10309	27.3
243.10704	1.2
260.08948	1.4
260.11447	20.2
261.11423	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00113	1.8
59.01242	100.0
59.02538	1.4
60.01579	0.9
69.03327	0.1
69.62569	0.1
71.01251	0.4
73.02801	1.1
85.02821	0.2
97.19851	0.2
101.02315	1.0
113.02317	0.3
115.08662	0.3
115.68703	0.1
119.04922	0.4
121.02794	0.1
125.02359	0.1
145.02853	0.7
147.06657	1.1
163.03935	0.3
170.51085	0.1
206.56204	0.2
221.97693	0.1
243.74702	0.2
263.14093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36838	0.2
51.03542	0.2
51.85711	0.3
58.99884	1.1
59.01241	100.0
59.02415	2.1
60.01572	0.9
63.14060	0.4
63.14404	0.3
63.14929	0.3
66.65390	0.3
71.01236	0.6
73.02806	0.8
75.02795	0.3
75.05258	0.3
85.02814	0.4
88.55453	0.3
89.02282	0.4
91.94014	0.3
99.57862	0.3
101.02317	1.4
103.61118	0.3
119.04873	0.8
126.26959	0.3
132.86263	0.4
145.02823	0.6
147.06671	1.3
163.03870	0.4
219.13882	0.4
227.34218	0.3
234.79228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00150	1.5
59.01242	100.0
59.02497	1.5
61.71084	0.4
63.56558	1.0
71.01243	0.8
73.02797	1.1
73.82198	0.4
74.21738	0.4
85.64168	0.4
89.02305	0.7
101.02309	1.7
113.02343	0.6
120.82278	0.5
122.92232	0.4
123.91199	0.4
135.04382	0.5
145.02856	0.9
147.06651	2.1
172.58340	0.5
188.30653	0.5
203.05585	0.6
208.08159	0.4
223.34773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46046	0.5
55.01736	0.8
59.01017	0.4
59.01241	4.5
61.75360	0.5
62.55949	0.5
71.01235	1.8
72.99143	1.2
73.02802	9.6
78.24577	0.6
85.02822	0.7
87.00736	17.1
112.98413	2.4
117.01798	33.8
128.03441	0.6
134.04634	1.1
136.07503	1.0
147.04401	100.0
147.09135	1.2
148.04759	2.4
265.07251	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
59.01012	0.3
59.01247	3.6
71.01239	2.1
72.99155	0.7
73.02805	8.1
84.97516	0.3
85.02812	1.0
87.00732	15.1
101.02309	0.5
103.05443	0.4
113.02312	1.2
117.01798	30.0
121.02811	4.9
134.04616	0.5
135.04385	0.4
141.06900	0.5
147.04402	100.0
147.08905	1.2
148.04747	2.6
161.05952	0.6
163.03940	0.7
190.30052	0.7
284.29370	0.4
284.86627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
58.00463	1.8
59.00037	1.7
59.01242	100.0
59.02582	1.2
60.01566	1.0
62.31515	0.9
66.24763	0.7
66.49928	0.7
66.55080	0.8
67.67508	0.9
69.53542	0.8
70.99609	1.0
71.01239	55.0
72.89275	0.8
72.99161	2.5
73.02811	1.7
73.06306	0.8
80.91485	0.8
82.02839	2.4
83.01243	1.8
85.02806	38.7
87.00732	2.6
89.00050	1.5
89.02296	83.1
90.02634	0.9
95.01257	2.9
96.27837	0.8
100.03959	0.9
101.02303	29.5
101.02961	1.8
113.02308	28.1
119.03373	32.2
119.04860	1.5
122.78400	0.8
125.02289	1.2
128.03413	1.1
129.33057	0.8
131.03339	4.2
133.02875	1.4
134.04611	1.5
143.02348	0.8
143.03374	4.8
143.63234	0.8
149.04462	2.8
150.73439	0.9
161.04414	4.6
179.05515	8.0
195.52248	1.0
233.44589	1.1
265.09183	5.2
266.10410	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.3
58.00457	1.5
59.00042	1.8
59.01242	100.0
59.02601	1.0
66.92622	0.6
70.99656	0.7
71.01239	48.3
72.99176	2.4
73.02799	1.3
74.10847	0.6
74.40737	0.5
75.00713	0.7
83.01252	2.3
85.02798	13.2
86.03183	0.5
87.00737	2.4
89.02296	64.6
90.02631	0.7
93.28239	0.5
94.64227	0.6
95.01270	2.8
101.02301	33.5
103.03887	3.8
113.02307	20.3
118.97946	1.6
119.03368	28.4
127.22980	0.6
128.03426	0.7
131.03381	2.3
143.03386	2.7
147.06714	0.8
149.04459	2.4
161.04462	2.1
179.05545	3.8
206.04526	1.3
208.37411	0.7
223.08139	0.9
235.48482	0.8
265.09293	33.3
266.06772	1.0
266.09479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1194
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
58.02837	3.5
59.01245	4.6
63.96822	0.5
67.02853	0.9
68.99956	0.4
70.02837	1.7
71.01221	0.7
71.18034	0.4
72.00781	1.4
72.99170	0.7
73.03921	1.1
74.02328	6.1
81.07867	0.5
82.02849	2.5
84.04408	6.6
86.02328	2.7
89.02308	0.6
99.01828	0.5
99.05506	2.1
101.02316	0.7
101.07063	12.6
101.07687	1.0
103.03864	0.5
106.04128	0.8
107.02361	0.6
107.04940	0.7
109.03944	12.2
112.05052	0.7
113.75271	0.5
117.59319	0.5
119.04889	9.1
127.05006	72.3
128.03413	11.1
128.05374	1.2
136.07532	1.5
145.06094	1.8
146.50011	0.5
155.98170	0.6
178.08566	0.9
190.08653	1.9
203.06775	0.6
219.11322	2.9
221.12927	6.7
221.67555	0.5
233.21153	0.5
247.10884	21.5
248.11165	0.8
263.84869	0.5
265.11945	100.0
266.12350	5.7
281.54776	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00440	0.2
59.01244	5.6
59.63304	0.1
61.98689	0.3
71.01240	5.7
73.02814	0.1
78.95771	0.8
83.01254	0.2
85.02814	0.4
87.00738	0.6
89.02299	100.0
89.04473	1.6
90.02622	1.2
95.01265	0.2
96.96839	0.3
99.23043	0.2
101.02297	1.4
102.27829	0.1
105.18411	0.1
113.02305	1.5
113.64117	0.1
115.51777	0.2
119.03419	0.7
131.03418	0.2
143.03392	0.5
148.58781	0.1
149.04485	0.3
151.09372	0.1
161.04483	0.7
179.05537	1.8
188.84674	0.2
219.77162	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.1
61.71101	0.1
64.80938	0.1
66.01904	0.1
71.01241	4.9
72.99163	0.2
78.95769	0.3
81.19093	0.2
83.01242	0.2
85.02812	0.4
87.00731	0.6
88.99823	0.8
89.02299	100.0
89.04469	1.7
90.02623	1.3
101.02313	1.8
102.73888	0.2
113.02295	1.6
119.03375	0.9
128.03395	0.3
131.03372	0.4
140.76642	0.1
143.03368	0.6
149.04433	0.4
161.04480	0.7
179.05539	2.1
207.07651	0.2
225.08839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1296
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
59.01225	4.2
65.00150	1.4
65.64855	1.2
71.01228	1.6
77.29984	1.4
89.02302	16.3
94.92414	1.6
117.03341	7.3
120.04368	3.3
122.68488	1.4
125.93926	1.5
149.02380	2.0
165.55305	1.5
186.95540	5.4
225.05527	2.5
225.10242	2.3
239.08168	3.3
241.13388	3.5
253.09924	1.9
254.10722	4.1
269.04590	26.5
269.12973	100.0
269.17554	2.9
269.21097	8.2
270.13361	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
50.32025	0.3
59.01241	4.5
63.01933	0.6
63.02258	9.5
64.98748	0.6
65.00185	23.3
68.99667	1.1
80.86388	0.4
83.01240	14.9
83.64918	0.4
84.13131	0.5
86.74831	0.4
91.01743	0.4
91.22406	0.4
91.40249	0.4
93.03311	11.4
106.98288	0.5
107.01247	32.7
108.02098	0.8
108.99142	0.7
109.02837	1.0
117.03337	1.6
119.01442	0.8
119.04892	83.5
120.05223	2.3
121.02806	0.7
125.02309	2.1
130.08624	3.6
133.02855	1.0
137.02298	0.5
143.04909	2.7
145.02827	3.5
150.95265	1.1
151.00256	100.0
152.00627	1.9
157.06416	0.5
161.05960	2.9
164.01088	0.5
165.01843	4.5
169.01343	6.0
177.01852	7.4
184.05180	0.4
185.06003	5.7
187.03928	10.3
188.04398	0.6
199.07553	0.6
227.07047	4.6
235.13420	1.0
253.14500	1.7
271.06134	97.7
271.15533	2.3
271.20251	4.8
271.22897	0.8
272.06409	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21344	0.4
59.01250	4.4
71.01232	0.9
73.02804	0.8
81.03306	0.9
83.04861	0.6
85.02785	1.1
89.02312	0.6
93.03316	0.6
97.02807	0.9
103.03873	7.5
108.01991	0.6
109.02847	0.9
111.04375	1.4
118.39764	0.5
121.02823	0.7
130.08615	57.6
131.08939	0.8
135.04401	12.7
135.19118	0.6
139.03870	0.8
147.70901	0.5
179.03424	9.0
180.03699	0.7
182.15356	1.2
183.02899	0.6
185.04362	0.7
193.05862	1.3
211.18089	6.8
227.21246	5.2
271.20291	100.0
272.20667	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
80.59631	0.3
82.06475	0.4
94.08707	0.3
110.76794	0.3
111.99808	0.6
116.32586	0.3
123.41260	0.3
130.08611	76.3
130.12556	0.6
131.08940	1.9
157.13319	0.7
182.15463	1.0
184.16927	0.5
190.70740	0.3
211.18120	5.0
227.21260	3.6
271.20285	100.0
272.20602	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51194	1.2
57.35767	1.4
59.01246	2.9
63.45692	1.4
67.01743	6.3
75.13651	1.4
80.29187	1.5
81.02038	9.2
82.02392	3.0
82.02840	32.8
87.00740	2.0
91.72726	2.0
98.02340	20.9
107.04758	2.0
108.78023	2.0
111.03118	3.8
112.07565	3.0
130.08618	18.7
131.08978	4.8
140.07040	14.1
152.10704	38.9
161.02293	2.3
168.10202	17.2
187.03896	2.1
187.32239	1.8
188.40300	1.7
196.09741	37.2
212.09230	100.0
213.09648	3.7
230.02136	4.2
240.08731	38.2
271.20282	18.5
272.11472	7.4
272.20676	14.9
282.90747	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33741	1.2
58.02848	2.7
59.01241	6.1
69.35980	1.2
70.02824	3.2
71.01241	2.9
72.00771	1.9
72.04404	24.0
72.99181	2.2
74.02340	7.3
74.86662	1.3
76.17332	1.3
78.95759	10.1
82.02833	23.2
83.01242	14.9
83.06002	3.8
84.04407	23.6
86.02351	1.7
87.00750	1.9
88.03924	1.8
89.03423	3.4
96.00767	13.6
96.04392	2.4
96.95872	17.5
96.96828	2.7
97.94415	1.2
98.02335	93.0
99.00762	3.5
100.03906	5.6
100.61308	1.3
101.07066	14.0
102.05477	4.0
104.89658	1.3
109.02819	1.7
109.03929	19.4
110.98363	5.4
111.05530	1.4
112.03915	4.6
122.05991	6.8
124.07619	1.7
125.02439	1.8
125.03450	4.1
125.07118	3.9
126.01839	2.9
126.05477	1.3
127.00256	5.2
127.05003	100.0
128.03404	79.0
131.66495	1.5
132.04037	4.0
137.02377	1.6
138.01828	10.1
139.08632	8.3
143.11758	1.4
145.01367	1.9
145.06068	82.0
165.06558	11.1
166.04997	18.2
167.08159	6.2
168.06557	5.2
183.07668	4.1
193.06104	3.5
194.09346	3.6
209.05516	2.2
210.16049	1.6
211.07196	27.8
212.05574	3.8
212.10345	3.5
213.09132	2.7
227.06696	62.4
229.08269	3.8
238.08264	7.4
241.04654	3.6
244.81413	1.4
254.15115	2.7
255.06224	80.9
255.15401	2.1
256.04404	2.7
256.06815	2.5
256.09299	11.3
272.16171	3.7
273.03793	6.5
273.07339	20.8
273.16739	3.0
274.10236	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0769
Annotation	2,3,4-TRIHYDROXY-4'-ETHOXYBENZOPHENONE
Peak:m/z	Relative Intensity
52.92176	0.4
59.01233	1.8
63.02247	3.0
65.00185	17.2
66.90090	0.6
83.01243	8.5
98.20611	0.5
107.01249	18.7
120.99606	0.5
121.06459	1.3
151.00261	29.3
151.05241	0.8
157.06497	0.9
163.07532	8.2
169.01358	1.2
169.06439	1.0
171.04398	2.5
187.07584	3.8
189.05501	22.9
205.08623	4.9
213.09030	0.6
229.08728	5.3
273.07703	100.0
274.08069	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43787	1.9
59.01229	11.2
68.35387	2.0
110.02369	3.1
110.05967	3.1
115.56498	2.3
132.92717	2.4
134.06003	4.2
136.03885	8.0
136.07573	15.9
138.05472	6.5
147.03209	3.0
150.70439	2.2
162.05437	4.6
180.23572	2.4
182.06029	3.2
183.06882	3.5
197.06967	3.8
197.08531	4.6
201.07857	7.2
211.05066	11.9
212.05830	3.9
212.10780	23.4
213.06615	2.6
215.09482	6.8
225.06665	32.2
226.07466	28.7
227.08144	4.6
230.11693	13.8
239.08282	3.5
240.09044	18.3
255.11383	100.0
256.11835	3.7
273.12646	13.0
273.17075	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0933
Annotation	1,6-Anhydro-N-acetyl-beta-muramate
Peak:m/z	Relative Intensity
58.02840	7.4
59.01245	2.6
69.03309	0.5
71.01240	8.6
73.02815	0.9
81.02073	0.4
81.03314	0.4
82.02839	1.3
83.01237	2.7
83.77631	0.3
84.04395	1.7
85.02805	0.6
86.02324	0.3
87.00721	2.0
88.99971	1.4
89.02298	100.0
89.04314	1.0
90.02626	0.8
94.02818	1.9
94.35789	0.3
95.01237	0.4
95.84193	0.3
96.04408	1.5
97.02817	0.9
98.02324	0.9
99.00743	1.4
99.03116	0.8
100.03901	11.4
101.02306	1.7
108.04418	0.6
111.00748	1.2
112.03915	5.4
113.02309	1.1
114.05495	0.6
120.30856	0.5
120.31573	0.4
122.02386	0.5
124.03868	1.8
125.02341	0.9
126.05477	0.6
127.04996	0.4
128.03413	2.3
136.03937	1.8
136.43062	0.4
138.05510	1.1
140.03429	2.1
142.04970	4.0
144.32535	0.4
145.06096	1.1
154.05011	2.6
166.04985	1.3
182.04456	0.6
184.06082	1.0
202.07170	6.0
230.10309	1.1
232.08211	5.6
274.09348	94.4
275.09692	3.9
288.03906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1045
Annotation	(5-L-Glutamyl)-L-glutamine
Peak:m/z	Relative Intensity
56.37941	0.4
58.02837	2.5
59.01264	0.4
61.97106	0.4
61.98683	0.8
67.02855	0.8
70.02844	0.7
72.00749	0.6
72.99173	0.5
74.02325	3.4
78.95768	2.3
82.02844	5.8
83.06021	1.0
84.04403	10.7
85.02778	0.4
86.02325	1.2
86.89021	0.5
89.28654	0.4
96.95867	0.7
96.96817	3.5
97.03944	1.1
98.02370	0.8
99.05493	0.6
101.07072	5.5
102.05457	4.8
109.03948	10.6
110.02318	1.0
112.03907	0.6
123.05551	0.6
125.03436	4.0
125.07085	1.0
127.05007	35.5
127.81664	0.4
127.99689	1.4
128.03407	100.0
129.03734	2.1
129.06566	0.9
130.04948	1.0
135.05544	1.0
145.06073	81.9
146.04488	7.4
146.06422	1.9
150.10258	0.6
151.08665	1.2
153.06604	0.6
159.52467	0.4
168.11328	0.9
176.08156	0.6
194.09276	10.7
195.07640	1.2
195.09369	0.6
196.69514	0.5
212.10336	4.0
213.08710	0.6
215.31627	0.5
230.11536	0.6
238.08305	18.0
239.06505	1.1
239.08772	0.6
254.95412	0.5
256.09390	20.5
257.07581	0.7
257.09933	1.1
274.10464	14.7
275.08777	1.9
275.78302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00077	0.7
59.01241	33.1
59.02267	0.3
59.02589	0.3
60.01571	0.1
62.49714	0.1
69.45856	0.1
85.00748	0.1
85.02803	7.3
103.01188	1.4
103.03867	100.0
104.04199	1.6
124.72068	0.1
129.67868	0.1
145.76535	0.1
152.82687	0.1
182.96970	0.1
189.07619	0.4
245.45448	0.1
275.18350	0.3
289.18814	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2019
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
58.35390	1.2
59.01239	11.6
74.33561	1.3
94.62749	1.5
105.45407	1.4
106.57863	1.6
110.29854	1.7
126.56232	1.5
127.15927	1.6
150.35451	1.5
161.29785	1.9
177.16319	1.7
192.95805	2.3
231.21179	9.4
242.53444	1.7
275.20184	100.0
276.20532	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06641	0.4
51.59808	0.6
55.68468	0.4
58.18044	0.3
59.01240	11.1
62.27353	0.4
71.01237	4.9
72.99168	0.5
73.02823	0.4
81.09942	0.3
89.02288	0.8
91.72742	0.5
102.88689	0.4
127.05014	0.4
130.06473	0.5
145.07591	7.4
146.06064	0.5
146.08073	0.4
157.07640	0.4
158.07069	0.4
159.07899	13.2
159.09177	4.9
160.08691	100.0
160.14345	1.1
161.07050	0.4
161.09088	2.9
170.07120	3.7
172.08711	3.8
173.09441	2.2
174.10255	8.0
175.08606	0.6
178.96182	0.4
184.08717	24.6
186.10281	53.7
187.10632	1.8
188.11853	11.5
189.12236	0.6
196.08717	5.0
198.10289	21.5
199.07391	1.2
199.10658	0.8
200.11868	9.5
201.08913	0.6
201.12097	0.4
202.09804	8.6
203.08228	0.4
209.09576	0.8
210.10310	9.1
211.10501	0.6
212.08228	0.5
212.11856	5.7
213.12123	0.4
214.09804	8.6
215.10315	0.5
216.11368	58.3
217.11690	2.5
222.10216	2.3
225.09070	0.7
226.09801	1.6
227.10664	0.4
228.11383	17.4
229.11595	0.7
230.12970	1.1
238.09874	0.8
240.11395	9.9
254.09344	0.4
256.10959	1.3
256.76212	0.4
258.12488	3.7
276.13528	47.8
277.13895	2.4
289.22562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59793	0.6
56.12456	0.5
59.01243	12.7
61.51252	0.4
67.25266	0.3
71.01241	6.9
72.99136	0.4
73.83584	0.4
81.73204	0.4
89.02315	0.8
112.31108	0.4
130.06499	0.7
145.07596	7.7
157.08754	0.4
158.08415	0.5
159.07895	16.2
159.09178	5.9
160.03607	1.0
160.08694	100.0
161.09050	2.6
170.07112	3.5
172.08682	3.4
173.09486	2.6
174.10268	9.2
175.08601	0.5
184.02635	0.4
184.08716	24.4
185.09113	0.6
186.10283	59.7
187.10593	1.7
188.11841	11.8
196.08728	4.8
198.10301	22.2
199.07426	1.2
199.10495	0.8
200.11871	10.2
201.08980	0.8
202.09795	9.5
203.08177	0.6
209.09506	0.8
210.10300	10.1
211.10750	0.5
212.08302	0.6
212.11882	5.5
214.09793	8.0
216.11377	63.2
217.11720	2.5
222.10335	1.3
226.09865	1.7
228.11377	20.2
229.11684	0.7
230.12947	1.1
238.09792	0.9
240.11395	10.5
243.25537	0.4
256.10898	1.2
258.12424	2.5
261.11343	0.5
276.13538	52.6
277.13916	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
59.98759	0.1
62.96273	0.2
71.01246	0.2
78.93757	0.6
78.95761	45.7
78.97504	0.7
84.59013	0.2
89.02309	0.2
96.94101	1.2
96.95937	4.5
96.96820	100.0
96.99184	1.4
113.99447	0.5
128.03377	0.2
141.59392	0.2
215.61940	0.2
215.67754	0.2
276.98840	1.1
277.05585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0863
Annotation	H-Glu-Met-OH
Peak:m/z	Relative Intensity
53.57880	0.3
59.00968	0.4
59.01242	4.4
60.01596	0.3
67.03333	0.3
69.57146	0.4
71.01242	3.3
72.00756	0.7
72.99151	0.4
73.02814	1.0
74.02324	2.4
75.00716	0.5
78.95760	20.0
82.02849	4.1
83.01256	0.6
84.04408	2.2
85.02791	1.2
86.02324	0.7
89.02297	2.0
96.94096	0.5
96.95908	5.3
96.96820	44.6
96.99271	0.6
97.02807	0.7
98.02337	2.4
100.03902	1.9
101.02322	1.8
108.78574	0.4
111.00744	0.5
111.05460	0.6
112.03887	0.6
113.02306	1.2
115.03886	1.5
116.07050	0.8
120.01140	0.5
121.03954	0.5
126.72855	0.4
127.03927	0.6
127.04976	1.2
128.03407	100.0
128.07132	1.2
129.03760	1.8
132.99521	0.4
139.30556	0.4
141.06555	0.4
148.04265	38.4
149.04604	0.9
149.07112	1.6
150.05426	0.5
151.08646	0.6
153.06577	0.4
161.04472	0.5
167.08163	9.6
171.05852	0.9
197.07462	2.4
211.07257	2.5
215.08549	6.5
229.08174	0.7
233.09671	0.4
241.06497	10.9
256.23709	0.4
259.07581	21.8
260.08026	0.8
272.44833	0.4
277.05679	0.7
277.08606	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63902	0.8
59.01241	100.0
59.02495	1.4
60.01559	1.1
60.32981	0.7
60.90084	0.8
63.21515	0.7
68.15711	0.8
71.01239	6.6
73.02789	3.6
73.37305	0.8
78.95741	1.2
83.01237	2.5
85.02795	4.1
90.98457	0.9
91.05345	1.3
96.95889	1.0
96.96829	1.3
99.00753	2.0
101.02309	9.1
104.70478	1.1
104.75814	0.7
111.00797	1.0
113.02315	4.8
121.02790	2.3
125.56766	0.7
127.03885	0.9
127.13910	0.8
128.69403	1.0
129.09453	0.8
129.10222	6.6
145.02867	1.1
147.04372	2.2
147.08241	1.0
147.90866	1.0
159.02910	1.1
161.04454	3.4
164.07094	2.0
220.20311	0.9
220.94164	0.8
235.11850	14.0
247.70204	0.9
277.15707	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	24.3
83.34723	2.8
121.02847	4.2
152.91623	4.5
156.47656	2.6
172.18117	3.0
182.39392	2.6
194.92703	7.2
194.95468	3.9
205.15909	4.2
212.93785	3.5
214.76378	3.1
224.83319	2.6
230.05168	2.7
233.19221	3.9
233.22531	4.2
248.99496	3.3
277.18219	29.5
277.21753	100.0
278.22311	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18923	0.2
53.11873	0.2
59.01242	3.3
59.98391	0.3
71.01226	0.7
121.02808	0.4
127.07510	0.6
134.55795	0.2
140.59677	0.3
194.95454	0.9
205.15788	0.4
207.78621	0.3
233.22855	0.4
235.13339	0.5
246.12154	0.3
257.56021	0.3
259.20566	0.5
275.20248	0.4
277.21729	100.0
277.34262	0.9
278.22064	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.50219	0.3
53.60050	0.3
57.32468	0.3
59.01231	1.4
71.01236	0.4
73.49074	0.3
125.39153	0.4
139.22940	0.4
140.14845	0.5
198.53340	0.4
233.22649	0.5
275.20425	0.6
277.21741	100.0
277.49200	0.5
278.22070	5.4
286.14349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.067
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
50.80183	0.4
59.01231	1.9
71.01238	13.2
73.48607	0.6
78.26877	0.6
79.57053	0.5
84.04435	0.7
88.03892	2.4
93.03310	7.9
98.02322	0.9
110.86629	0.6
114.01829	24.8
114.59438	0.6
115.00231	24.3
117.03321	1.3
119.01526	1.4
119.04890	100.0
120.05206	2.7
121.06429	0.5
130.04121	0.6
132.02901	16.1
141.53601	0.5
145.02835	7.6
145.06454	0.8
146.06035	3.0
147.04405	6.4
157.48099	0.6
162.05496	31.5
162.09113	0.8
163.03905	23.9
164.83980	0.6
172.07564	1.3
190.08633	3.6
216.06622	10.1
223.13527	0.5
234.07707	5.4
259.00775	0.6
260.05585	0.9
270.84009	0.6
278.06699	48.0
279.07056	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42968	1.0
59.01249	8.5
64.91782	1.1
71.48141	1.1
85.02788	2.8
98.71259	1.2
102.05453	2.5
105.06964	17.4
106.35790	1.4
128.03426	10.1
148.07576	29.2
149.05968	79.0
150.06281	1.9
157.24440	1.3
161.09682	1.4
165.68610	1.4
174.09207	1.3
180.42313	1.3
188.07027	1.8
188.10707	5.3
190.12291	31.9
216.10262	7.1
234.11331	52.1
257.14905	1.4
260.09277	15.0
264.65567	1.4
278.10345	100.0
279.01581	1.6
279.10617	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33887	0.2
59.01229	0.4
60.97396	1.6
60.99174	0.2
70.85213	0.2
72.00244	5.3
72.97388	4.4
73.01054	0.2
73.98160	0.5
75.00726	0.4
78.60659	0.2
86.01826	0.4
86.02334	6.8
88.96877	0.7
89.97670	1.0
90.95840	0.8
90.98447	100.0
91.00684	1.5
91.73343	0.4
91.98793	0.7
99.08032	0.6
110.95535	0.3
111.76077	0.2
114.68926	0.2
116.01609	1.3
128.06113	0.2
129.07309	54.3
129.11172	0.7
130.07680	1.2
130.08533	0.3
145.06781	1.5
147.08374	40.3
148.08711	1.0
157.13350	0.4
173.06325	17.1
174.06638	0.5
178.01704	4.6
191.07396	37.7
192.07834	1.4
216.10571	4.2
234.11674	1.0
243.13477	0.5
260.09650	2.7
260.78616	0.3
278.10699	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2323
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.23850	0.5
56.19401	0.5
58.97951	0.5
59.01225	1.8
71.01245	1.0
71.63960	0.6
96.95856	2.0
121.36551	0.6
122.15556	0.5
130.45110	0.5
140.84854	0.6
143.28175	0.6
152.56482	0.6
154.11269	0.5
160.94833	0.5
169.36971	0.6
199.72482	0.6
219.04987	0.9
279.16571	2.6
279.23303	100.0
280.23639	6.1
290.50735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04609	0.2
58.21839	0.2
58.80115	0.3
59.01239	1.0
62.82843	0.2
68.99671	0.2
69.90089	0.2
71.01238	1.2
72.99165	1.1
73.02804	6.0
75.00732	4.6
87.00202	0.5
87.00729	10.0
89.02292	0.8
92.07937	0.3
93.03318	0.9
117.01804	14.6
117.03262	0.6
118.02213	0.3
119.01270	0.7
119.04892	63.9
120.05244	1.8
135.02870	14.1
137.24117	0.2
145.02832	1.3
162.98077	1.0
163.03905	100.0
164.04225	2.7
177.05518	0.5
236.80873	0.4
281.06717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07330	0.1
54.89762	0.2
59.00969	0.2
59.01242	3.9
71.01239	1.7
72.99166	2.3
73.02790	0.4
74.99033	0.5
75.00731	28.9
75.02625	0.3
76.01079	0.2
76.05217	0.1
87.00747	0.3
89.02296	5.6
93.03319	0.4
99.00761	0.3
101.02291	0.4
113.02287	0.3
117.01810	2.3
117.03333	0.6
119.01505	0.4
119.04893	29.8
119.08668	0.3
120.05254	0.9
134.98845	1.3
135.02870	100.0
135.07510	0.7
136.03207	1.5
145.02861	1.3
153.69682	0.2
162.98547	0.4
163.03908	38.1
164.04218	1.2
169.58966	0.2
175.17856	0.1
221.06654	0.3
246.16806	0.2
253.18674	0.1
281.06628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65263	0.8
55.01743	3.9
57.03317	8.2
59.01241	29.4
65.86961	1.2
67.21079	1.0
70.18148	0.9
70.99515	1.1
71.01240	100.0
71.02794	1.9
72.99170	1.2
73.02801	23.5
75.00730	4.1
83.01244	9.1
84.02019	2.6
85.02804	60.5
85.44386	1.1
87.00732	5.3
89.02285	8.3
95.01244	13.1
99.00747	10.5
101.02304	19.9
108.52918	1.0
113.02306	83.8
114.02618	1.3
117.01770	1.7
119.04893	92.4
120.05240	2.6
135.02867	10.0
137.05969	5.1
143.03471	1.0
161.04466	6.4
163.03909	48.9
163.09529	1.2
164.04181	2.2
181.32355	1.1
187.08707	1.1
221.06683	3.5
273.72900	1.4
281.10318	17.1
282.10526	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98259	1.2
55.01744	3.2
56.10806	1.1
57.03318	7.0
58.33408	1.1
59.01242	44.1
71.01241	86.3
71.03022	1.6
72.99185	3.4
73.02803	19.8
75.00727	17.7
75.34619	1.3
79.14149	1.1
80.27348	1.4
83.01248	12.4
85.02290	2.8
85.02805	49.8
87.00742	4.5
88.88512	1.4
89.02295	11.9
91.72739	1.4
93.03286	2.1
95.01260	11.9
99.00729	6.6
101.02303	18.0
113.02309	67.0
117.01838	7.1
119.04896	100.0
120.05305	2.0
125.02265	1.8
135.02873	71.4
137.05995	5.5
145.02893	2.4
161.04475	6.2
163.03909	69.2
164.04198	2.0
221.06653	6.3
223.07813	1.9
271.15952	1.4
274.75638	1.4
281.10315	13.1
281.24957	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75069	0.7
52.80294	0.7
57.03300	1.0
59.00970	1.2
59.01241	15.6
61.21547	0.8
71.01226	3.2
72.00760	7.8
73.02798	1.1
82.02841	1.9
84.72234	0.9
85.02808	1.2
89.02287	2.0
89.25931	0.8
90.56844	0.8
91.16241	0.8
93.03297	2.6
95.67114	0.8
98.02309	1.0
100.03902	17.0
101.02285	6.1
102.05477	2.6
113.02343	1.9
116.36288	0.9
119.04899	1.9
127.05020	1.0
128.03404	14.8
130.08592	3.0
135.02850	2.0
140.03152	4.2
142.04724	2.6
145.06519	0.9
150.01601	13.0
152.03203	5.8
153.10979	1.0
161.04425	1.4
163.03893	3.0
167.04291	3.4
168.02721	2.0
184.02161	1.6
208.09511	2.8
212.01657	1.5
216.33694	1.0
217.09482	1.3
221.06522	4.9
235.10594	5.8
237.12167	14.0
263.10144	26.3
281.11200	100.0
281.24680	1.9
282.11511	4.3
295.60815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32166	0.4
59.00975	0.4
59.01242	6.0
60.81284	0.3
61.16355	0.4
71.01254	0.6
79.95587	2.2
87.00702	0.6
95.95101	0.8
96.93588	1.1
96.95869	100.0
96.98479	1.4
99.16627	0.5
101.02304	1.0
112.93611	0.8
113.02317	0.5
115.57336	0.4
116.97018	0.5
120.23551	0.5
132.45631	0.4
142.29379	0.5
143.90022	0.6
150.94696	0.4
221.06647	1.4
281.14294	88.2
282.14581	3.7
296.61923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0249
Annotation	7,10,12-Trihydroxycoumestan
Peak:m/z	Relative Intensity
52.15188	0.3
60.64148	0.4
60.86940	0.2
63.02213	1.2
65.00186	1.9
67.11869	0.4
67.12232	0.5
68.55206	0.2
68.99619	0.4
78.24500	0.2
83.01183	1.0
91.01720	0.4
91.72740	0.3
93.03284	0.7
94.00402	0.3
103.01746	1.5
104.15722	0.2
105.03262	0.6
107.01266	2.2
110.00575	0.2
115.05344	0.4
117.03326	1.7
119.01278	1.2
119.01933	0.3
121.02839	1.5
121.99925	0.3
127.05334	0.7
129.03316	0.3
131.04849	0.3
133.02846	2.4
135.00679	0.8
139.05347	1.0
141.03285	1.1
143.01254	0.3
143.04900	1.7
145.02808	1.2
145.06430	0.3
147.04333	0.5
151.00269	4.1
153.80400	0.3
154.04082	1.0
155.04909	3.6
157.02809	0.6
159.04457	1.4
160.98502	0.3
167.04927	1.1
169.02827	1.2
171.04390	1.9
173.06015	0.4
182.03635	3.2
183.04440	8.8
184.04724	0.4
185.02351	2.6
187.03911	0.7
195.04330	0.4
197.02415	0.3
198.03078	0.6
199.03955	2.9
210.33205	0.3
211.03949	3.3
213.01875	0.7
226.02684	0.4
227.03493	3.4
239.03389	0.4
255.02988	100.0
255.14297	0.8
256.03323	5.2
282.01846	0.3
283.02502	45.6
283.26440	0.9
284.02927	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30680	0.5
57.03308	1.6
58.99971	0.7
59.01242	60.4
59.02385	1.2
61.41572	0.6
63.18568	0.5
71.01240	23.3
71.31966	0.6
72.99149	0.8
73.02784	1.3
75.00721	3.4
78.01082	0.6
85.02800	2.0
89.02296	41.3
91.72816	1.0
91.73296	1.1
95.01262	1.2
97.56638	0.8
98.30741	0.7
101.02308	7.8
103.00254	2.1
103.00925	1.4
103.03869	100.0
104.03396	4.9
104.04164	1.7
104.70305	0.6
108.01901	7.2
108.77422	0.6
113.02315	6.8
119.03363	4.0
126.02895	1.0
127.07332	0.7
131.03337	0.9
143.03387	2.0
151.02507	66.5
152.02831	1.0
161.04451	3.1
179.05508	9.6
244.30240	0.7
283.06854	12.7
283.26428	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1704
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
52.71923	1.0
59.01234	7.2
61.35191	0.8
65.23640	0.9
75.90352	1.1
107.01995	1.4
107.04885	96.8
108.05223	2.5
110.49216	0.9
135.79971	1.0
152.51550	0.9
158.52916	1.0
163.11180	100.0
164.11505	3.9
169.20009	0.9
201.02484	6.6
262.56888	1.1
263.16299	1.0
283.17035	91.6
283.22919	2.9
283.26385	51.6
284.17450	5.2
284.26831	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.29153	0.1
56.70511	0.1
59.01221	0.1
60.05960	0.1
63.01929	0.1
63.02256	1.9
65.00185	3.9
66.37054	0.1
67.01745	0.1
68.99666	0.3
69.03311	0.2
77.03819	0.1
79.01754	0.2
81.03347	0.1
83.01237	2.5
85.96608	0.1
88.69254	0.1
89.00182	0.1
89.03788	0.1
91.01719	0.1
93.03305	0.3
93.38319	0.1
94.00469	0.2
95.01237	0.8
95.04878	0.1
96.75494	0.1
103.92707	0.1
104.02562	0.1
105.03302	0.7
107.01247	5.3
107.04887	0.2
109.02797	0.6
115.05425	0.2
117.03304	0.2
119.04911	0.4
121.02824	1.0
123.00729	0.4
123.04388	0.3
125.02330	0.5
129.03348	0.1
129.06966	0.3
131.04900	0.4
132.02042	0.9
133.02829	18.6
133.06815	0.2
134.03136	0.6
135.00772	0.3
135.04395	4.9
136.04720	0.2
139.03873	0.3
139.05421	0.2
141.03331	0.2
141.06993	0.4
143.04906	1.0
145.02829	0.7
145.06505	0.3
146.03677	0.2
147.04395	1.5
148.01605	0.2
149.02335	2.2
149.99315	0.1
151.00258	7.9
151.03864	0.3
151.05052	0.1
152.00607	0.3
154.04114	0.1
155.04906	0.3
156.02048	0.3
157.02855	0.7
157.06483	0.9
158.03648	0.2
159.03320	0.1
159.04402	0.8
161.02411	0.5
161.05991	0.6
163.00226	0.2
164.01083	0.2
167.04918	0.7
168.05789	0.1
169.01347	0.3
169.02812	0.2
169.06523	0.5
170.03587	0.3
171.03142	0.2
171.04437	1.7
172.05092	0.2
173.02357	0.3
173.05952	0.4
174.03119	0.9
175.03914	3.8
176.01088	0.5
176.04160	0.1
177.01839	1.2
182.03606	0.1
183.04428	0.6
184.05145	0.3
185.02402	0.2
185.06009	2.7
186.06439	0.2
187.03914	1.0
188.04620	0.1
189.05493	1.1
195.04413	0.7
196.05263	0.5
197.02359	0.2
197.06010	0.8
198.03191	1.1
199.03938	4.7
200.04477	0.2
201.01877	1.3
201.05489	0.3
211.03928	1.5
212.04683	0.7
213.05536	2.0
214.02702	0.3
215.03452	1.2
217.05003	1.4
223.03947	0.2
224.04791	0.2
225.02065	0.1
226.02611	0.2
227.03456	0.6
228.04044	0.2
229.05043	2.4
239.03490	1.2
240.04234	0.5
241.05037	1.9
242.02208	0.3
243.02991	0.8
255.02972	0.5
256.03699	0.8
257.04559	2.0
258.04877	0.1
267.02975	0.7
268.03802	0.6
283.02484	0.4
284.03137	0.5
285.04059	100.0
285.16269	0.9
286.04395	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.57901	0.3
63.02247	1.3
65.00179	3.1
83.01231	1.7
93.03316	0.4
105.03304	0.7
107.01241	5.3
120.78448	0.4
121.02815	1.3
132.02028	1.0
133.02826	27.9
133.07117	0.4
134.03146	0.5
135.04378	0.9
141.06918	0.4
143.04881	0.7
149.02315	3.3
151.00252	8.7
171.04398	0.7
175.03908	5.3
177.01807	0.3
185.05968	0.8
189.05478	0.5
198.03111	1.1
199.03934	4.5
201.01871	2.0
207.44247	0.3
211.03914	0.3
213.05542	1.1
215.03400	0.7
217.05042	2.4
223.04024	0.4
241.04951	1.6
242.02238	0.3
243.02994	1.0
257.04642	1.4
258.97031	0.3
267.02869	0.5
285.04053	100.0
285.17584	0.7
286.04382	5.6
289.79062	0.3
299.85202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	7-Hydroxyemodin
Peak:m/z	Relative Intensity
56.31642	1.0
59.01245	5.7
59.03890	0.7
59.83952	0.7
60.56701	0.7
63.02246	1.6
65.00166	3.2
68.99662	1.9
73.98182	0.9
75.72939	0.8
80.02525	3.6
83.01229	3.6
91.05392	1.9
93.03313	1.7
94.00450	3.0
95.01254	8.9
107.01263	4.3
107.04892	14.1
108.02029	15.1
109.02822	2.8
109.99957	1.6
115.05393	1.0
116.45325	0.9
117.08714	1.0
119.04878	1.9
121.02834	3.8
121.99964	1.1
122.03615	5.1
123.00723	5.1
123.04374	1.1
125.02283	1.9
130.04082	0.9
131.04901	1.3
133.02823	7.8
134.03607	1.2
135.04396	100.0
136.01512	8.2
136.04759	2.9
141.06987	2.5
143.04910	4.9
145.02824	3.1
145.06480	2.6
146.03624	2.2
147.04434	6.4
148.01585	1.2
149.02303	1.5
149.99480	1.6
151.00237	4.3
155.04893	5.4
157.02876	1.1
157.06477	3.2
158.03635	2.6
159.04416	9.1
161.02362	4.5
161.06004	4.4
163.00276	2.3
164.01048	7.7
167.04903	2.6
169.06485	5.7
170.03702	1.0
171.04445	11.3
173.02481	1.4
173.05945	3.3
174.03143	5.4
175.03932	12.1
176.01054	1.2
177.01897	1.5
182.03604	1.4
183.04407	2.8
184.05135	1.5
185.05989	11.8
186.03079	1.2
187.03929	14.3
189.05521	6.6
195.04503	4.4
196.00069	2.8
196.05191	2.8
197.06026	8.4
198.03189	7.6
199.03947	41.3
200.04237	1.5
201.01851	2.3
201.05540	3.2
211.03978	10.3
212.04625	2.0
213.01988	1.4
213.05508	17.4
215.03461	11.7
217.05028	7.9
222.01431	1.0
223.03957	2.5
229.05031	22.0
239.03493	6.7
240.04227	2.3
241.05049	16.7
242.05214	1.0
243.02928	3.4
257.04553	60.6
257.14548	0.9
258.04965	2.1
284.26715	2.5
285.04074	88.8
286.04407	3.9
290.46558	1.0
300.61166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1773
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
51.84045	1.0
58.02822	2.4
59.01229	1.8
62.26412	0.7
63.08530	0.7
69.23170	0.7
71.01234	1.4
73.02796	0.8
78.95760	21.9
82.02830	2.3
84.04401	3.5
88.03889	2.5
89.06520	0.7
91.72708	1.1
101.07045	4.9
102.05454	2.0
109.03922	5.9
110.02384	1.0
112.07559	1.0
114.05512	1.0
114.09123	1.6
122.03616	2.0
123.03941	2.6
124.03930	1.3
125.02335	4.0
127.05005	42.3
128.03404	8.7
145.06068	31.6
157.08603	0.9
157.13358	35.5
158.11786	2.0
160.06076	1.5
166.08549	1.4
179.11797	1.1
183.14966	1.6
194.32628	0.9
197.16516	2.0
208.14523	1.7
224.17638	48.0
225.17993	3.0
242.18657	6.7
268.16687	29.7
269.17123	1.3
285.57111	1.0
286.17734	100.0
287.04633	1.1
287.18106	6.2
289.10339	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2389
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01237	1.5
61.98671	1.5
70.02819	0.9
74.05955	1.0
88.42353	0.8
89.41389	0.8
96.13369	0.8
131.35481	1.1
215.97211	0.9
240.23375	2.1
242.13771	1.6
242.21156	1.6
268.22809	1.0
277.09406	1.0
286.23886	100.0
287.24283	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
52.86539	0.1
57.03283	0.2
61.66720	0.1
63.02261	2.6
63.96784	0.1
64.98811	0.3
65.00185	11.2
65.01698	0.1
66.00542	0.1
72.57128	0.1
81.03312	0.2
83.01238	5.5
89.03808	0.2
91.05361	0.1
106.98357	0.3
107.01248	16.9
107.04922	0.8
108.01588	0.4
108.99188	0.3
109.02822	2.4
117.03333	0.2
125.02311	3.6
133.02855	0.5
134.03622	2.6
135.00397	1.3
135.04395	100.0
136.04732	2.8
137.02295	0.3
150.95518	1.0
151.00256	78.5
152.00580	1.7
159.04411	0.2
161.02293	0.8
165.01805	0.7
169.01324	1.4
171.04410	0.1
173.06062	0.1
177.01845	0.6
225.05588	0.2
269.04623	0.3
287.05627	12.1
288.05951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	3,4,2',4',alpha-Pentahydroxychalcone
Peak:m/z	Relative Intensity
52.53682	0.2
53.38171	0.4
57.03307	0.2
59.01226	1.3
59.98335	0.3
63.53061	0.3
65.00177	0.5
65.03815	1.1
67.01738	0.8
69.57399	0.3
80.02539	0.5
81.03333	0.3
83.01228	0.9
91.72737	0.6
93.03313	8.4
95.01246	1.8
97.11335	0.3
101.84676	0.3
102.05461	0.8
107.01195	0.6
108.02023	0.8
109.02811	6.0
118.07690	0.3
121.02819	3.9
123.00655	0.3
125.02298	0.5
128.03389	0.9
135.04390	4.7
137.02313	9.3
151.00250	1.8
159.04333	0.8
164.01093	0.4
164.95842	0.7
165.01828	100.0
165.07149	1.2
166.02155	2.8
180.73494	0.4
187.03883	0.7
201.05524	0.8
215.07211	0.4
269.04553	0.7
287.02054	1.3
287.05603	16.9
287.14755	0.3
288.05972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1605
Annotation	Lycoramine
Peak:m/z	Relative Intensity
57.13373	0.2
59.01240	0.8
59.34024	0.2
63.72021	0.2
64.65408	0.2
66.20194	0.2
71.26181	0.2
78.85426	0.2
80.60588	0.3
80.94878	0.2
81.03300	1.8
83.77962	0.3
90.48758	0.2
92.04915	1.1
92.31690	0.3
93.03313	2.2
107.03633	0.6
108.02037	0.6
108.04417	4.9
109.02814	5.7
109.27724	0.3
109.38708	0.3
120.78462	0.3
121.02832	0.8
124.01574	0.4
134.02356	38.6
134.06657	0.5
135.03160	9.7
136.03923	39.4
136.08435	0.6
137.02335	1.6
137.04253	0.7
148.03931	1.2
149.04735	1.5
155.96245	0.3
161.35687	0.3
165.71045	0.3
176.03461	5.2
177.04131	1.0
190.04976	0.3
204.06544	0.5
208.01369	0.3
235.79143	0.3
244.17255	0.2
270.15143	0.4
282.14511	0.3
288.16068	100.0
289.16354	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1658
Annotation	oscr#14
Peak:m/z	Relative Intensity
57.03304	2.5
59.00971	2.5
59.01241	32.0
66.78103	1.3
69.03291	2.0
71.01231	6.3
71.04866	3.8
73.02780	1.6
75.00703	1.8
83.01224	1.6
83.04870	6.2
85.02819	2.1
85.06426	3.2
87.00739	2.8
87.04356	1.5
95.04895	2.0
97.02809	2.5
99.04366	1.6
101.05947	1.8
106.31926	1.6
109.06458	2.6
113.05940	1.8
115.03873	43.8
115.07522	3.7
122.83332	1.6
123.07984	4.2
125.09584	5.7
153.09134	3.2
155.10637	8.2
182.72664	1.8
197.11760	2.0
253.14442	2.6
271.15540	5.5
289.13367	5.1
289.16574	100.0
290.16806	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	1.9
59.01241	53.0
69.03304	2.9
71.01239	2.2
81.06976	1.4
93.06953	3.5
117.00329	4.0
119.08521	10.8
126.52747	1.9
133.10133	3.4
135.11670	18.2
147.11688	37.5
149.93533	1.7
159.01402	8.9
159.07896	2.3
167.06818	4.4
179.10701	15.4
181.12389	2.9
191.10703	25.4
209.11775	100.0
210.12178	3.5
213.08954	11.8
229.08495	10.3
231.10014	32.3
275.09033	8.2
279.10907	5.0
291.10800	11.3
299.06601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85467	0.3
53.40188	0.3
55.01746	0.4
57.03319	0.5
59.00067	2.0
59.01244	100.0
59.02564	1.2
60.01587	0.8
63.14280	0.3
66.81274	0.3
71.01242	6.8
71.01595	0.6
71.89959	0.3
72.99174	0.5
73.02802	3.4
73.26665	0.3
83.01232	2.3
85.02811	4.4
89.02304	0.6
90.98453	1.8
99.00752	1.1
101.02307	9.1
101.02944	0.6
111.00752	0.5
113.02319	3.0
135.02873	0.4
143.03445	0.6
143.08936	0.9
159.02899	0.5
161.04459	2.9
161.09985	0.9
178.40666	0.3
205.09061	0.8
225.79208	0.3
249.13409	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01237	4.4
77.80450	1.4
80.15059	1.4
89.82050	1.6
95.95698	1.5
106.21933	1.3
121.02815	2.7
126.61507	1.5
165.12750	20.2
190.30980	1.6
196.22696	1.9
209.06702	1.8
221.36922	1.4
230.61111	2.2
247.20715	9.9
257.88129	1.8
273.18649	8.9
278.50824	1.6
291.19669	100.0
292.19955	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70626	0.5
57.03305	1.1
59.00046	0.5
59.01246	3.4
59.50573	0.6
61.61770	0.6
66.26460	0.6
71.01239	0.7
71.04844	0.5
79.95598	1.0
83.04864	0.9
95.04896	0.7
98.50002	0.6
111.08018	13.3
113.09528	0.8
121.02843	0.7
124.36073	0.6
137.09575	1.0
144.22484	0.7
167.10718	1.6
177.12741	2.7
179.10663	1.7
185.50931	0.7
195.13815	8.9
229.85654	0.6
247.20557	2.8
273.18671	1.2
291.19672	100.0
292.20105	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.00144	0.5
50.75142	0.5
51.58137	0.5
59.01231	1.4
86.35432	0.6
116.79478	0.6
119.04884	0.7
121.02829	1.0
125.05976	0.9
148.08865	0.9
150.10373	1.1
163.11192	0.8
165.12753	17.3
166.12997	0.8
166.94200	0.8
181.65717	0.8
191.14236	1.0
192.95883	1.0
209.04411	1.4
247.20671	11.3
248.21013	1.3
249.90883	0.7
273.18665	5.1
291.19681	100.0
292.19943	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61556	0.2
54.37920	0.2
55.05717	0.2
56.31850	0.2
59.01243	2.9
68.68305	0.2
80.57553	0.2
82.02830	1.1
84.04402	0.3
85.02795	0.5
93.03314	2.1
94.02882	0.2
96.04420	1.0
98.05967	0.5
98.89955	0.2
100.03907	0.6
101.02333	0.3
102.05468	10.1
108.71108	0.3
117.03340	3.7
119.01203	1.0
119.04893	100.0
119.08274	1.3
120.05222	2.7
121.06492	0.4
126.05489	0.2
128.03409	22.9
129.01810	0.5
129.03719	0.3
144.04446	0.3
145.02837	23.7
145.99527	0.5
146.04474	43.1
147.04382	2.1
149.90396	0.2
162.05534	2.2
163.03909	14.3
164.04231	0.4
168.11624	0.2
172.02412	2.2
174.05516	1.2
175.86661	0.2
186.09164	0.3
188.07088	0.8
202.08675	6.2
204.10255	2.0
230.08179	2.4
248.09288	2.7
274.07230	8.3
275.07532	0.2
292.08286	23.7
293.08597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.82977	0.1
57.08264	0.2
57.54631	0.2
58.02832	0.7
59.01225	0.3
74.19196	0.2
85.59017	0.2
88.43896	0.2
96.95850	0.2
99.94498	0.2
127.08003	0.2
138.12770	0.5
156.09073	1.0
156.13831	100.0
156.19373	1.1
157.14183	2.9
177.09111	0.2
197.37630	0.2
200.12874	3.2
217.31172	0.2
220.14624	1.0
221.15463	2.1
236.10515	1.4
292.19162	1.0
293.17740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02830	1.1
59.01230	0.7
59.86795	0.3
71.01231	0.5
73.43969	0.3
77.29190	0.3
88.03272	0.3
143.43034	0.3
152.91673	0.3
156.08051	0.7
156.13831	100.0
156.18953	1.2
157.14171	3.1
190.87605	0.3
197.92378	0.3
200.12871	3.2
220.14604	1.2
221.15402	2.3
228.68423	0.3
231.93022	0.5
236.10539	1.4
250.52968	0.3
287.46979	0.4
292.19116	0.4
293.17868	0.6
293.21161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.088
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.14167	0.4
55.01746	0.5
57.03308	1.1
57.11166	0.3
58.99980	0.8
59.01242	51.8
60.01560	0.4
61.98683	1.9
62.04149	0.4
69.03302	0.9
69.90534	0.3
70.99555	0.4
71.01238	27.5
72.99165	0.6
73.01071	0.5
73.02805	38.3
73.04359	0.6
75.00737	1.1
83.01243	7.5
85.02798	7.9
87.00726	2.9
87.04369	0.9
88.99971	0.9
89.02296	87.4
90.02633	0.6
97.02814	0.6
99.00743	1.4
101.02302	23.1
102.02627	0.6
103.03862	2.1
113.02303	7.0
114.01812	0.5
119.03362	1.8
122.47136	0.5
125.02298	0.9
131.03375	5.9
133.04912	0.8
143.03387	2.3
155.03465	0.5
161.04480	2.6
179.05495	0.5
194.17387	0.8
207.08730	0.9
221.45076	0.5
233.06618	4.3
251.07727	21.8
275.41794	0.4
279.89447	0.5
285.78549	0.5
291.13562	0.6
293.08798	100.0
294.09213	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1144
Annotation	gamma-Glutamylphenylalanine
Peak:m/z	Relative Intensity
55.18839	0.4
58.02829	1.7
59.01235	0.9
67.02863	0.5
72.00759	8.4
74.02316	2.1
82.02839	2.4
84.04404	3.3
85.10313	0.3
86.02332	1.0
89.02262	0.5
91.05377	4.6
95.05990	0.4
99.05475	1.4
101.07076	0.9
102.68573	0.7
104.35484	0.4
107.02340	0.4
109.03926	6.8
109.84198	0.5
112.03912	1.3
116.04915	0.8
118.06489	1.7
122.04733	1.4
124.02676	0.7
127.04996	25.4
127.08852	0.4
128.03401	100.0
128.07253	1.1
129.03741	1.1
145.06085	0.8
147.04398	25.6
148.04747	0.9
162.05476	0.9
164.07063	60.4
164.12584	0.8
165.07428	1.9
185.07150	1.1
203.44443	0.4
205.13239	0.5
213.10204	2.6
214.08528	0.5
231.11310	0.8
232.09805	0.5
249.12419	0.9
257.09305	10.9
275.10394	19.3
276.10675	0.6
293.11438	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61651	0.5
58.02832	1.7
58.12037	0.5
59.00052	0.8
59.01242	43.7
59.19276	0.5
61.90891	0.6
71.01241	20.5
72.00765	7.2
72.99165	1.6
73.02821	1.0
74.02322	2.1
82.02833	1.9
83.01254	0.8
84.04408	2.7
85.02808	4.4
86.02309	0.9
89.00131	0.6
89.02297	29.0
91.05408	3.8
92.04922	1.1
95.01231	1.1
96.95835	0.9
99.05488	1.1
101.02303	12.2
101.07095	1.1
107.97903	0.5
109.03945	7.3
112.03877	1.5
113.02306	9.4
118.06467	1.6
119.03369	13.6
120.04444	2.5
122.04726	1.0
124.02636	1.4
127.05011	24.8
127.99649	1.4
128.03404	100.0
129.03722	2.4
131.03357	1.3
131.07010	1.0
136.46063	0.7
143.03427	0.9
147.04405	27.8
148.04810	0.9
149.04468	1.1
152.91600	1.4
162.05522	0.7
164.07069	62.3
164.53818	0.6
165.07452	2.1
175.81642	0.6
179.05415	0.9
185.07246	1.0
206.64934	0.6
213.10292	2.4
231.11307	1.5
232.87666	0.9
249.08804	1.0
257.09360	11.5
275.10403	20.8
276.10776	1.1
293.12140	13.8
294.12827	0.7
308.32025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49610	0.5
52.38153	0.5
59.01240	21.5
60.64035	0.6
61.98694	0.9
67.11873	0.6
71.01227	2.0
75.04872	0.6
83.04871	2.4
89.02291	0.8
96.95837	0.8
121.96361	0.6
135.11646	0.6
149.13220	0.9
152.91649	1.7
163.11191	1.5
167.06839	0.7
167.33345	0.6
181.12254	10.7
193.12236	11.6
194.92636	0.8
202.97748	0.9
205.12161	0.8
211.13338	100.0
212.13638	3.1
231.09975	2.1
233.11513	5.1
250.88838	0.8
251.11345	1.3
277.10519	1.8
293.13065	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95209	1.1
51.09991	1.0
53.69427	1.0
59.01240	4.1
64.53211	1.0
70.59364	1.0
71.01230	1.8
74.18748	1.1
85.66145	1.1
91.18810	1.1
96.95866	2.2
99.25156	1.1
125.09603	5.1
150.57286	1.1
185.11775	7.6
188.34328	1.2
197.11781	2.2
198.24504	1.4
205.12238	1.6
220.14655	6.6
221.15454	13.6
236.10406	8.1
249.22073	1.5
293.18182	3.6
293.21222	100.0
294.21744	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
52.08859	0.3
56.05328	0.3
56.62971	0.4
59.01239	2.2
59.18413	0.5
68.33081	0.4
71.01212	0.4
72.39997	0.4
77.09039	0.5
80.02502	0.5
95.04843	0.5
111.08040	0.6
113.09538	0.6
167.10777	0.5
167.52879	0.5
177.12732	0.5
179.10802	0.5
179.14371	1.3
181.12245	0.5
195.13837	14.5
196.14601	2.9
205.12296	2.0
205.15935	0.6
211.13240	0.7
220.14641	1.5
221.15440	2.4
223.13364	10.9
224.13858	1.1
228.13658	1.4
231.21179	0.6
236.10522	1.4
239.12894	0.6
256.13156	5.0
265.21710	1.0
271.21066	0.5
275.20203	9.5
293.21234	100.0
294.21622	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98150	0.2
51.90126	0.2
57.03315	4.6
59.00974	0.3
59.01242	3.2
69.03308	0.2
71.01230	0.6
74.92522	0.2
79.71968	0.2
83.04863	0.4
83.97274	0.2
96.95879	0.3
97.06445	0.9
97.55435	0.2
98.24463	0.2
104.79973	0.2
109.06459	0.6
113.06002	0.2
113.09586	20.2
113.12729	0.3
113.13474	0.2
114.09942	0.4
119.33282	0.2
121.10091	1.9
125.09597	0.3
135.11676	0.5
139.11185	2.6
141.09081	0.6
149.09598	0.8
151.79237	0.3
155.10686	0.3
163.11189	0.3
167.10657	2.8
171.10170	4.2
177.12755	1.0
179.10678	2.1
179.14287	0.2
185.11743	0.5
193.15938	0.3
195.13858	3.7
220.14655	0.6
221.15454	1.1
231.21152	0.5
235.16847	0.2
236.10597	1.2
236.12561	0.3
249.22153	2.3
257.19189	0.3
275.20184	6.1
293.21237	100.0
294.21582	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0984
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
51.13514	2.0
53.61652	2.0
54.02542	1.9
56.16091	2.4
58.80098	2.6
59.01242	25.1
60.03325	2.5
71.01233	3.3
75.14784	2.6
85.74518	2.8
89.02262	3.9
91.72726	3.9
96.70921	2.3
104.96067	2.3
105.03336	3.6
115.45870	2.8
119.04873	3.7
121.06458	63.1
126.04955	2.7
128.03392	7.7
133.02823	17.0
164.07085	30.6
165.05470	88.9
166.57024	2.9
177.01811	4.9
190.08595	3.2
204.06421	3.5
204.10390	4.8
206.11772	31.9
214.08636	3.9
232.09773	9.9
234.75807	3.2
250.10803	52.6
276.08719	16.0
294.09851	100.0
295.09979	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42765	0.3
57.54293	0.4
59.01242	12.7
71.01232	1.2
72.99165	1.3
73.02802	0.4
77.03828	2.5
85.02817	1.1
85.90282	0.5
89.02296	0.5
89.03833	1.4
89.62840	0.4
93.03326	0.4
95.04886	5.5
99.00741	1.2
101.02309	1.3
105.02621	1.0
105.03326	19.1
106.03645	0.7
106.53331	0.5
108.01979	0.5
109.02823	0.9
110.58575	0.4
113.02305	0.8
115.00236	0.7
115.03746	0.4
121.02837	1.3
123.04393	12.2
132.02057	1.0
133.02831	100.0
133.06772	1.1
134.03149	2.1
135.02942	0.6
135.04430	0.6
149.02298	2.1
149.05943	0.6
150.03117	4.3
151.03922	3.7
154.45462	0.5
159.02924	0.9
159.04448	0.6
163.03905	0.8
164.05304	1.3
175.02451	0.6
177.01846	29.5
177.05376	2.3
177.08032	0.6
178.02225	0.7
195.02940	2.5
207.06519	0.7
235.08261	2.6
251.05675	0.5
295.11002	1.0
296.11322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	1.4
58.00461	1.2
59.00027	1.7
59.01244	93.5
59.02571	1.3
59.93959	0.5
60.01564	0.8
60.99162	0.7
69.03333	0.5
70.99682	0.9
71.01241	61.3
71.04884	1.0
72.01589	1.1
72.99166	3.4
73.02787	2.7
75.00718	0.8
78.95770	1.3
79.95152	0.5
80.79711	0.6
81.20571	0.5
83.01231	3.3
85.02809	10.6
87.00735	1.9
88.98666	5.8
89.00085	0.9
89.02300	73.9
90.02612	0.9
91.03838	0.8
95.01254	2.8
97.02817	1.9
98.35300	0.6
99.00745	3.4
101.02303	31.8
104.03457	0.6
111.00723	0.8
112.98674	5.5
113.02306	18.3
115.00240	44.7
115.03862	7.7
116.00578	1.2
116.07028	1.7
119.03371	18.8
126.68829	0.5
128.03532	0.6
129.01881	0.5
131.03372	1.5
133.04933	2.3
139.00233	0.6
139.39694	0.5
142.99744	5.1
143.03394	1.6
149.04440	1.3
151.50279	0.6
161.04434	3.0
173.00829	5.3
179.05519	1.9
193.09644	1.3
197.02217	0.6
205.03503	1.0
235.08224	2.3
253.09283	5.4
273.60095	0.9
295.10358	100.0
296.10706	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.5
58.00467	1.1
59.00155	1.1
59.01241	77.7
59.02444	0.9
60.01570	0.7
61.10116	0.4
61.11187	0.5
61.98686	0.7
69.32668	0.5
71.01237	35.9
71.02844	0.7
71.04858	0.6
72.69649	0.5
72.99171	1.8
73.02808	1.3
78.59995	0.4
83.01249	1.9
85.02807	7.5
87.00736	1.4
89.02295	45.8
89.04551	0.7
95.01254	2.2
101.02303	26.5
101.05004	0.5
113.02304	15.2
115.03896	2.6
119.03360	20.2
119.31831	0.5
128.03409	0.6
131.03368	1.6
133.04955	1.4
143.03369	1.5
149.04459	1.1
161.04498	1.5
179.05530	1.9
188.75845	0.5
193.09618	1.6
225.54694	0.6
225.83986	0.5
235.08109	1.3
244.91965	0.5
273.59915	0.8
295.10342	100.0
296.10776	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03305	0.8
59.00973	0.3
59.01245	3.7
59.36627	0.3
59.36887	0.2
63.64074	0.2
64.42261	0.2
68.06165	0.2
70.18912	0.2
71.01241	0.4
71.04895	0.2
71.50137	0.3
76.22546	0.2
83.04876	0.3
94.23588	0.3
97.06451	0.4
99.08025	0.3
101.02290	0.2
113.09586	2.3
115.00011	0.2
136.90778	0.2
177.12805	0.4
179.14319	1.3
181.12247	0.7
195.13840	20.3
196.14279	0.8
222.89796	0.2
234.74228	0.2
241.86813	0.2
249.60997	0.2
251.23978	0.4
274.63876	0.2
277.21744	20.5
278.19293	0.2
278.22058	1.3
295.09595	0.9
295.22794	100.0
296.23117	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88577	0.4
56.28405	0.4
59.01247	3.6
64.28098	0.4
68.09144	0.4
70.11823	0.4
71.01225	1.7
72.99156	2.4
74.69625	0.4
75.00729	30.6
78.86835	0.5
80.87903	0.5
87.00713	0.6
89.02289	5.7
97.90833	0.4
98.02403	0.5
99.00751	0.6
99.60998	0.4
99.88776	0.4
106.04193	0.5
106.40874	0.5
107.04881	1.2
109.02821	2.2
117.01794	1.8
127.14214	0.5
128.03397	0.7
133.02824	2.3
134.03598	1.1
134.98621	0.9
135.02870	100.0
135.04369	14.4
136.03212	1.6
136.04716	1.0
154.83646	0.6
161.02347	3.8
174.82083	0.5
179.03395	11.8
209.47903	0.6
217.48470	0.5
243.06593	1.7
297.06052	0.7
297.24350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72251	0.2
59.00963	0.3
59.01239	3.1
69.48118	0.2
69.66753	0.1
71.01237	1.1
72.99166	2.5
75.00730	30.8
75.02465	0.5
76.01073	0.2
76.21452	0.2
77.94417	0.2
87.00723	0.5
89.02301	5.6
107.04940	0.2
117.01805	2.2
133.02834	1.9
134.03607	0.7
135.02870	100.0
135.04330	5.3
135.07088	1.3
136.03203	1.5
136.04716	0.3
148.50639	0.2
161.02335	3.8
162.02649	0.2
167.24049	0.2
179.03429	3.7
195.34665	0.2
297.06012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.0
64.49597	0.2
71.01240	1.1
72.99161	2.1
75.00729	27.0
75.02486	0.4
76.01069	0.2
89.02295	5.0
89.55021	0.2
107.04888	0.3
112.36347	0.2
117.01801	2.4
118.73065	0.2
129.04961	0.2
133.02802	1.8
134.03644	1.6
135.02869	100.0
135.04344	10.6
135.07188	1.1
136.03177	1.6
136.04753	0.3
161.02342	4.5
179.01895	0.3
179.03416	5.8
297.06281	1.1
297.24603	0.2
311.59061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95758	0.2
52.43335	0.1
54.34394	0.1
56.99686	0.2
59.01241	3.1
66.93139	0.1
71.01238	1.3
72.99171	2.4
74.98994	0.5
75.00731	31.5
76.01070	0.2
78.45801	0.1
83.37570	0.2
87.00751	0.4
89.02296	5.7
99.00725	0.4
107.04880	0.2
108.48106	0.1
111.84063	0.2
117.01797	2.4
133.02840	1.6
134.03593	0.7
134.98657	1.2
135.02870	100.0
135.04338	6.4
136.03212	1.3
136.04727	0.2
147.98929	0.2
161.02338	4.4
177.77106	0.1
179.03421	4.1
297.06259	0.5
319.28455	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14174	0.4
55.01761	0.7
57.03298	0.5
58.00477	0.5
59.01242	45.7
59.02443	0.7
60.01608	0.6
67.85958	0.5
71.01237	21.1
72.00758	2.1
72.99167	1.3
73.02795	2.4
74.02330	2.5
75.00732	16.9
83.01248	2.1
85.02808	4.4
87.00729	2.9
89.02297	27.4
95.01233	1.4
99.00734	3.5
101.02299	18.3
113.02306	8.7
117.01807	4.4
118.04966	8.2
119.03368	12.4
126.38014	0.5
127.88370	0.4
128.54494	0.5
129.01811	0.8
131.03357	0.8
135.02858	0.8
143.03397	0.8
149.04427	0.7
153.51552	0.5
153.96538	0.8
161.04433	1.1
179.05531	1.9
192.05815	1.2
196.34837	0.5
219.05032	1.3
237.06142	11.3
271.84995	0.6
296.99219	2.6
297.08276	100.0
298.08704	4.7
303.00989	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99975	0.1
59.01241	3.8
61.28080	0.1
65.03825	0.5
66.23624	0.1
71.01226	0.5
71.05800	0.1
71.34222	0.1
73.02799	0.5
74.05389	0.1
75.00729	0.3
75.74393	0.1
83.01212	0.1
89.29832	0.1
93.00815	1.3
93.03313	100.0
93.05470	1.1
94.03644	1.8
101.02302	0.3
109.02824	0.1
113.02336	0.1
113.76279	0.1
128.03355	0.1
135.02859	0.8
135.04369	0.4
136.77618	0.1
203.05556	0.1
221.36964	0.1
245.13757	0.1
260.25848	0.1
297.24380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92046	0.8
58.16739	0.9
59.01230	2.9
62.97898	0.8
66.02299	0.9
75.00719	2.1
79.35165	0.9
104.04910	4.2
104.90279	1.0
105.41781	1.1
108.08041	6.3
121.05184	11.3
125.93124	1.0
130.77301	1.1
135.02927	4.6
136.07556	100.0
137.07889	2.1
147.03137	1.2
148.03923	56.4
149.04308	1.3
153.04204	2.3
160.03935	16.9
161.04657	3.7
193.03720	1.4
235.16997	4.4
260.87457	1.3
269.12924	14.5
297.12448	92.2
297.24280	4.8
298.12799	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01239	1.2
60.38546	0.1
60.43073	0.1
63.23329	0.1
65.03811	0.5
67.26856	0.2
71.01241	0.8
73.02809	0.3
80.31926	0.1
83.01231	0.2
85.02800	0.6
87.00729	0.2
93.00681	0.9
93.03313	100.0
93.05622	1.7
94.03646	2.0
101.02331	0.3
107.04852	0.1
113.02314	0.2
115.05496	0.1
119.03362	0.3
121.02833	0.5
124.26566	0.2
135.04295	0.2
136.97606	0.7
137.02318	97.6
137.06432	1.3
138.02638	2.0
141.93469	0.1
146.27766	0.1
179.03517	0.2
181.05035	0.2
189.40469	0.1
217.00316	0.3
253.80225	0.1
277.81409	0.1
299.07428	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Salidroside
Peak:m/z	Relative Intensity
57.01357	1.2
58.00449	1.4
59.01242	100.0
59.02436	1.7
59.64862	1.6
61.40019	1.3
64.97079	1.5
65.11371	1.2
65.30975	1.3
69.03321	1.4
71.01238	47.6
72.01554	1.7
72.99162	4.1
73.02818	2.5
78.95758	4.5
83.01245	3.7
85.02806	11.5
87.00701	2.7
88.34673	1.5
89.02297	78.2
91.73285	2.1
95.01263	3.3
101.02303	39.9
102.05564	1.5
113.02308	22.9
119.02512	2.1
119.03384	35.1
119.04879	36.7
128.03412	3.8
131.03362	3.2
137.02354	2.4
137.06021	3.7
143.03426	2.6
149.04388	2.5
161.04413	3.2
165.77542	1.5
168.13200	1.5
171.00517	2.2
177.01782	2.9
179.05540	5.2
217.00273	5.5
227.76125	1.7
298.21478	1.7
299.11401	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2016
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
51.07771	0.1
52.50153	0.1
59.01249	0.7
59.89251	0.1
74.10527	0.1
96.03875	0.1
137.02423	0.1
145.93982	0.1
165.84270	0.1
174.99126	0.2
217.00249	1.0
299.06787	0.9
299.20166	100.0
300.07440	0.1
300.20499	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67744	0.5
53.16824	0.4
57.79182	0.4
59.01238	3.3
63.67281	0.5
69.22884	0.4
72.11691	0.4
74.76739	0.5
82.02878	0.5
84.04398	1.1
91.36757	0.6
96.35592	0.6
99.67408	0.5
99.77000	0.5
102.02638	1.1
102.05467	70.3
103.05821	0.6
104.41711	0.5
107.04903	1.0
109.06461	8.5
109.12466	0.4
112.18273	0.5
114.72992	0.5
118.71267	0.6
127.07520	12.3
127.99454	1.0
128.03406	72.4
128.07797	0.7
129.03757	1.4
130.08618	2.2
132.41606	0.5
136.72739	0.5
143.63036	0.5
146.04475	100.0
147.04810	1.4
152.07022	0.4
153.05438	0.9
171.06532	12.9
171.07953	0.8
218.17596	0.6
256.11945	1.4
256.20401	1.1
280.28494	0.5
282.09973	2.1
300.10898	38.0
300.19052	2.6
301.10983	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
50.65752	0.9
51.77378	1.1
59.01239	9.0
63.02257	5.5
64.91820	1.1
65.00187	6.7
66.77956	1.0
71.01234	5.3
79.46902	1.1
82.10077	1.1
83.01239	2.6
87.42711	1.3
89.02286	9.5
91.73363	3.1
93.03333	4.6
95.01236	6.7
105.03326	1.2
107.01247	8.9
107.04839	1.4
109.02818	2.9
111.67055	1.2
115.05418	1.3
116.57627	1.3
117.03371	1.2
119.04912	3.9
121.02819	33.8
123.00751	5.2
125.02314	5.4
133.02818	6.3
135.04416	12.5
143.04929	3.8
145.02812	4.3
147.00787	1.6
147.04402	1.5
148.01653	1.7
149.02354	14.5
151.00272	20.5
151.03900	5.5
152.00603	2.0
155.04837	1.5
155.94484	1.4
157.06471	1.6
159.04425	3.5
161.02383	1.7
163.03947	2.7
169.01384	2.8
171.04449	3.3
173.06068	1.6
175.00322	3.3
175.03818	1.4
177.01884	7.1
178.99805	3.1
183.04402	6.3
185.02307	2.5
187.03957	3.7
189.05539	2.0
191.03488	1.3
192.00555	1.6
199.03912	3.5
201.05566	1.5
211.03957	3.4
212.04666	1.6
215.03406	2.6
216.71667	1.4
227.03445	7.3
229.04984	7.1
255.02994	58.2
256.03339	2.7
257.04559	16.2
273.03888	2.0
283.02487	39.1
284.03033	3.3
292.33923	1.4
301.03555	100.0
302.03915	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
54.36487	1.3
55.54211	1.2
56.05067	1.4
56.08596	1.4
57.03300	1.6
59.01227	5.5
63.02250	6.6
65.00177	7.6
68.91592	1.3
72.83355	1.6
74.45661	1.5
78.95763	1.5
79.99288	1.5
83.01241	5.8
93.03323	2.8
95.01234	3.4
96.03326	1.7
105.03300	1.7
107.01250	12.6
107.04835	1.9
108.02032	5.5
109.02866	2.8
119.01275	2.1
119.04829	2.5
121.02800	6.8
123.00746	2.2
125.02320	15.6
133.02812	7.8
135.04388	7.9
136.01553	21.3
137.02298	11.1
139.00290	2.2
140.12402	1.9
141.03256	2.0
143.04959	2.5
145.02821	3.2
147.04408	5.4
149.02339	14.5
151.00264	17.5
159.04443	3.7
161.02318	3.7
163.00285	5.0
164.01039	2.9
165.01804	12.7
169.01328	2.7
171.04462	3.1
177.01749	2.4
183.04477	2.8
185.06084	4.1
187.03932	6.6
189.01819	2.3
189.05486	2.4
197.79990	1.8
201.05544	3.7
211.03963	4.6
215.03392	8.3
227.03561	10.0
229.05045	11.8
233.04507	3.6
239.03581	2.7
240.04080	2.3
245.04869	2.0
255.02982	46.2
256.03558	3.4
257.04584	30.8
273.04031	6.6
283.02512	38.2
284.03146	7.9
297.30298	1.9
301.03546	100.0
302.03931	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	HIERACIN
Peak:m/z	Relative Intensity
51.34766	0.5
51.53893	0.2
53.95281	0.2
59.01242	1.5
63.02258	0.9
65.00184	3.3
71.01237	0.4
83.01238	2.0
84.65318	0.3
93.03300	1.2
95.01237	0.8
95.04852	0.4
105.03306	0.9
107.01253	4.0
109.02811	0.7
111.34672	0.3
113.01063	0.4
113.49978	0.3
119.01183	0.4
119.04816	0.4
121.02810	2.8
123.00748	1.0
123.04324	0.4
125.02340	4.0
129.06963	0.4
133.02878	1.0
135.00774	0.4
135.04419	1.2
137.02258	0.8
143.04909	0.7
145.02814	0.8
147.00777	0.8
147.04378	0.4
149.02328	19.5
150.02751	0.4
151.00252	6.9
151.03864	2.8
155.04854	0.3
157.06451	0.8
159.04437	1.7
161.02339	0.6
161.06006	0.4
163.00273	0.8
163.03929	0.6
169.01352	0.4
169.02751	0.3
173.02368	0.7
173.06015	0.4
174.03059	0.4
175.00278	1.4
175.03923	0.7
176.01033	0.4
177.01842	1.0
183.04445	1.3
185.02361	0.4
185.05986	0.8
187.03915	1.4
189.05498	0.5
190.02641	0.7
191.03398	3.2
199.04074	0.7
201.05489	1.2
203.03418	1.1
205.04973	0.3
211.03987	1.4
214.02589	0.8
215.03461	2.8
216.04012	0.7
217.01346	0.4
217.04951	0.9
227.03467	2.2
229.05040	1.2
231.02972	0.8
233.04529	0.9
239.03500	0.9
243.02867	0.4
245.04486	0.6
255.02991	3.5
257.04617	1.2
272.03171	0.6
273.03925	1.3
283.02518	1.2
300.02744	0.5
301.03546	100.0
302.03903	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98171	3.1
56.38575	2.8
58.35510	2.7
58.65734	2.6
59.01236	12.1
61.98698	3.4
63.02251	3.6
64.99866	2.9
65.00184	16.5
73.90093	3.1
80.16130	4.1
82.20902	2.8
83.01254	10.0
91.73480	3.4
93.42620	3.0
107.01244	23.1
108.02001	7.5
111.30766	3.0
120.98557	3.5
123.00716	4.0
124.01558	4.0
134.03609	43.4
136.01558	6.3
149.05981	21.8
151.00261	96.8
164.01004	18.3
165.01816	7.6
183.67415	3.3
196.00113	9.8
258.04379	4.3
264.05896	3.7
266.74551	3.4
283.46222	3.9
285.03827	4.6
286.04111	9.8
301.07178	100.0
301.12012	4.4
301.20465	4.1
302.07657	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61884	1.1
59.01242	5.1
61.98698	1.3
62.37173	1.1
63.01975	1.3
63.02239	7.6
65.00180	11.7
74.34952	1.2
83.01238	7.3
103.74834	1.5
107.01247	25.4
108.02065	12.6
112.40138	1.2
123.00707	2.0
123.04360	3.6
124.01505	2.1
125.02312	2.0
134.03609	34.9
136.01546	7.2
149.05962	23.1
151.00250	48.4
164.01070	11.9
165.01729	2.5
169.01335	5.2
174.03107	1.6
177.01878	5.4
196.00066	4.1
199.03903	1.7
209.11771	2.8
227.54114	1.6
286.04773	4.2
301.07166	100.0
301.20352	2.2
302.07507	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1597
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
53.84507	0.3
56.45214	0.3
59.01208	0.5
61.69482	0.4
79.23117	0.5
80.83219	0.4
91.72761	0.5
98.59155	0.5
102.51979	0.5
130.53029	0.5
154.40918	0.5
217.07243	0.5
286.13614	1.9
301.15982	100.0
302.16403	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.45386	0.4
60.97361	0.7
63.49361	1.4
72.53401	0.4
74.98940	0.7
79.04037	0.4
88.01116	0.5
99.47330	0.4
102.06729	0.4
114.39769	0.4
125.16943	0.4
129.20395	0.6
134.99268	6.5
136.97203	2.8
143.05214	0.5
151.69374	0.4
159.08366	1.5
161.06296	6.3
191.82074	0.4
201.04128	0.5
203.05602	3.5
205.03551	0.8
215.05492	1.2
217.07175	83.6
218.07317	4.2
261.06256	0.7
273.03329	0.5
283.11926	0.8
285.13492	34.1
286.13580	2.3
301.16617	100.0
302.16809	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85057	2.2
55.17494	2.5
56.58703	3.1
59.01254	19.6
60.51873	2.4
64.36821	2.4
65.26435	2.9
68.06596	2.5
71.01237	2.9
83.19389	3.0
110.25888	2.9
127.11073	3.1
133.32895	2.8
134.63492	3.5
203.18057	7.1
257.22784	29.6
301.21725	100.0
301.24936	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	5,7,3',4',5'-pentahydroxyflavanone
Peak:m/z	Relative Intensity
57.02223	0.2
57.03315	13.2
57.04517	0.2
57.73077	0.2
58.41957	0.2
58.89845	0.2
59.01233	0.3
61.49757	0.2
62.85017	0.2
63.02245	0.3
65.00185	1.2
80.07935	0.2
81.03312	0.9
83.01245	2.7
105.03319	0.7
107.01241	2.0
108.02047	0.8
108.99982	0.4
109.02814	28.3
109.05959	0.4
110.03162	0.6
121.02825	1.8
123.04382	3.4
124.98895	1.1
125.02314	100.0
125.06271	1.0
126.02639	2.4
132.02010	0.6
132.99091	0.4
133.02831	28.3
134.03200	0.4
149.02333	5.3
151.00259	5.4
151.03947	0.3
167.03413	5.1
175.03909	0.9
177.01843	16.6
178.02225	0.5
193.01357	20.1
194.01736	0.5
199.03983	0.4
201.01881	0.2
241.05025	0.9
243.03015	0.5
285.04022	2.2
287.69244	0.3
303.05078	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16838	0.7
55.01751	6.0
57.03312	5.3
58.99998	1.0
59.01242	52.2
68.99658	1.1
69.03313	1.4
70.24881	0.8
70.99579	1.3
71.01240	100.0
71.02709	1.4
72.01566	2.2
72.99162	2.7
73.02393	2.2
73.02805	44.6
74.78195	0.9
75.00736	1.9
81.03328	1.3
83.01241	19.4
83.78423	0.9
84.01991	1.4
84.74442	0.9
85.02805	53.9
85.99957	1.4
87.00741	3.6
89.02299	9.2
95.01246	7.0
96.41158	0.9
97.02816	6.1
99.00728	14.2
100.99448	1.4
101.02303	83.0
101.04855	1.2
101.05492	1.2
102.02654	1.2
113.02306	46.2
114.02588	1.1
119.03429	1.0
125.02309	2.4
126.06686	0.9
128.03407	1.2
129.01790	1.5
141.01819	1.1
143.03436	4.7
146.15970	1.0
159.02884	11.3
161.04451	33.0
162.04869	1.3
182.24637	1.0
183.59555	0.9
183.69704	0.9
200.15610	1.0
259.08295	3.4
260.41495	1.0
266.75928	1.3
303.07230	51.0
304.07617	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02819	1.0
59.01242	15.4
64.34387	0.7
64.95847	0.6
83.04861	1.1
86.78733	0.6
134.88405	0.7
168.13832	1.8
177.09155	0.8
186.73332	0.6
205.19588	2.1
224.46335	0.9
226.18842	0.6
231.21169	0.8
239.99323	0.7
259.24335	9.5
285.22223	1.2
303.23300	100.0
304.23682	7.0
322.66122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2329
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
54.51689	0.6
56.78065	0.6
59.01240	9.7
63.87533	0.7
74.96521	0.7
78.09811	0.7
78.48528	0.7
79.46439	0.8
81.71733	0.8
83.19520	0.8
94.60097	0.8
110.04633	0.7
205.19554	3.0
212.16949	0.9
259.24310	13.5
285.22263	1.1
303.23306	100.0
304.23618	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73819	0.9
58.02838	12.3
59.01226	2.5
70.44331	0.8
77.73932	0.7
86.03703	0.9
86.05965	31.9
93.71168	0.9
104.82481	0.9
107.55083	1.1
122.55843	0.8
123.93530	0.8
139.61533	1.0
141.01584	1.5
168.13838	26.8
246.46581	1.0
262.21796	2.4
304.22818	100.0
305.23022	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64416	1.1
55.01749	3.2
57.03305	3.9
58.00463	1.5
59.01242	93.8
59.02384	2.1
67.63543	1.3
71.01239	55.7
72.99163	2.1
73.02810	12.2
75.89203	1.4
81.06947	4.9
82.02818	2.8
83.01243	10.1
85.02807	23.7
87.00729	3.8
89.02297	46.3
89.86070	1.4
95.01242	2.5
99.00742	3.8
100.03873	3.4
101.02299	49.8
109.02791	2.3
113.02300	25.2
119.03365	23.2
119.56638	1.4
123.04403	1.4
123.21075	1.4
125.05961	3.6
128.03403	4.8
131.03355	1.8
133.02831	100.0
133.06683	1.6
135.04405	21.2
143.03369	4.7
147.04430	1.7
151.03902	2.4
159.02954	1.9
159.04372	3.4
161.02344	3.1
161.04413	8.5
175.02666	2.1
175.07599	4.0
176.03448	9.3
177.01837	4.1
179.05559	2.1
190.02769	1.7
218.08253	7.1
261.13559	7.1
262.07239	3.6
305.12445	60.2
305.16055	2.8
306.12823	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00970	1.3
59.01244	18.2
71.01236	6.3
73.02807	10.5
75.00713	1.1
83.01242	1.1
85.02811	2.6
87.00734	0.7
89.02316	0.7
91.05384	1.0
96.65153	0.6
96.91624	0.6
101.02285	5.0
101.02965	1.2
101.05943	100.0
101.08556	1.4
102.06261	1.3
102.27460	0.8
108.82346	0.7
111.27953	0.6
111.70277	0.7
113.02313	2.8
113.05914	1.1
115.07497	6.0
115.27859	0.7
123.01310	0.8
125.02322	2.3
127.07504	1.4
132.17633	0.8
143.04468	0.8
143.07013	4.0
147.04390	2.6
154.51804	0.8
155.07047	3.9
164.07076	3.2
173.08099	1.4
285.30408	0.8
305.18796	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24044	1.1
55.01751	6.2
57.03309	8.2
58.00449	1.2
59.00179	1.0
59.01244	62.4
59.02432	1.5
61.73753	1.1
61.97391	1.1
62.22118	0.9
69.03287	1.8
70.65871	1.0
71.01243	100.0
71.02796	1.5
71.04874	3.0
72.99164	2.3
73.02807	39.5
75.00725	2.5
75.60973	1.1
83.01247	18.2
83.04879	1.3
85.02808	56.1
87.00742	5.7
89.02307	12.6
90.58556	1.0
91.05397	1.6
95.01244	6.0
97.02824	3.4
99.00737	16.4
99.02480	1.0
101.02308	76.3
101.04922	1.4
101.05940	27.8
111.00758	2.9
113.02314	42.2
113.03101	2.2
113.88428	1.1
119.03374	3.6
125.02296	2.6
129.01819	2.0
130.10416	1.1
136.71046	1.3
143.03374	4.9
143.04417	1.4
143.10663	6.1
147.04405	3.4
147.36574	1.2
159.02922	12.4
159.79446	1.2
161.04451	30.9
164.07082	3.1
168.44344	1.3
186.77962	1.3
187.11913	1.3
205.03421	2.1
214.12123	1.2
227.13309	1.2
262.30844	1.3
295.58350	1.3
305.15701	10.1
305.19000	15.3
309.42807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
51.81962	0.5
59.01246	3.3
61.44168	0.6
81.82983	0.6
89.16995	0.6
95.08168	0.8
101.16750	0.7
115.07825	0.7
119.67912	0.7
124.38579	0.7
131.25920	0.7
141.01575	1.5
162.83885	1.1
286.07916	0.7
305.24866	100.0
306.17764	1.5
306.25226	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.4
63.40204	0.2
63.93938	0.2
65.99698	0.5
71.01241	0.6
82.02844	1.9
85.02811	0.4
89.02307	0.7
89.03789	0.3
91.05392	0.6
93.03310	0.4
94.02856	0.2
95.04856	0.2
96.04391	0.3
100.03900	3.8
101.02290	0.7
103.05398	0.2
105.03329	1.3
107.04867	1.3
108.02047	0.5
108.04417	0.3
109.02814	2.4
110.02343	0.9
117.03329	0.9
119.03407	0.3
119.04917	0.4
121.02810	0.6
122.03595	0.3
123.04374	1.4
126.01868	0.4
128.03403	4.6
129.03729	0.3
132.02058	2.6
132.98572	1.1
133.02829	100.0
133.06485	1.1
134.03090	2.2
135.04395	22.7
136.04756	0.6
137.98845	0.2
143.04456	0.3
145.02844	0.4
146.03596	0.6
147.03279	0.4
147.04366	1.6
148.03932	0.5
148.05133	0.5
149.02226	0.3
151.03893	2.6
154.01337	0.8
159.04408	3.9
160.05099	0.4
161.02338	3.1
161.06007	0.7
170.04500	0.8
173.05969	0.6
175.02629	1.8
175.07556	4.5
176.03442	9.3
176.06914	0.3
177.01865	4.0
190.05002	0.3
200.07095	0.8
201.05669	0.2
216.06625	0.8
218.08185	7.8
219.06627	0.3
219.08507	0.5
234.07584	0.3
244.06158	0.9
262.07178	3.7
306.06247	0.5
306.09860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0936
Annotation	Indicaxanthin
Peak:m/z	Relative Intensity
51.82845	0.2
51.88322	0.2
58.02850	0.2
59.01245	2.6
66.03352	0.4
79.77077	0.3
82.02837	0.4
84.04401	8.2
85.02787	0.5
92.52737	0.2
94.06487	0.5
102.05458	8.5
104.04897	0.3
106.06483	38.4
106.09447	0.5
107.06823	0.6
128.03406	39.1
128.07376	0.5
129.01814	0.5
129.03792	0.5
131.06062	1.3
134.05988	100.0
134.10263	1.1
135.06334	2.9
145.07590	0.3
146.04474	7.7
149.07074	0.3
150.05544	0.2
158.09625	1.0
159.05537	10.6
171.09183	0.6
172.02408	1.0
173.07149	1.2
173.10779	1.9
177.06599	6.6
178.05002	39.1
179.05373	1.5
189.06639	0.6
199.08617	0.3
201.10258	15.3
202.10555	0.6
203.08197	1.8
217.06195	0.5
217.09775	1.0
219.11369	2.6
227.08215	0.7
228.46420	0.2
245.09297	28.8
246.09686	1.2
263.10373	7.7
264.10754	0.3
289.08322	12.2
290.08667	0.5
307.09375	19.4
308.09631	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03435	0.2
58.02823	0.3
59.01241	2.7
63.89613	0.2
77.14449	0.2
82.02840	0.4
84.04403	8.9
85.02800	0.6
94.06469	0.4
101.02322	0.3
101.66219	0.2
102.04794	0.5
102.05466	9.7
106.03455	0.4
106.06484	38.8
106.09244	0.4
106.91129	0.2
107.06808	1.1
125.56397	0.3
128.03406	38.5
129.01831	0.3
129.03712	0.6
131.06039	1.4
131.85182	0.2
134.01579	1.0
134.05992	100.0
134.09805	1.1
135.06357	2.7
146.04477	7.3
158.09642	0.8
159.05537	9.4
160.05933	0.4
171.09189	0.5
172.02414	1.2
173.07088	1.7
173.10725	1.6
177.06615	6.4
177.98338	0.5
178.05006	38.7
179.05392	1.3
180.08589	0.3
189.06538	0.5
201.02374	0.2
201.10269	15.7
202.10577	0.7
203.08159	1.7
217.06207	0.4
217.09814	0.8
219.11365	2.6
227.08151	0.7
245.09300	28.2
246.09644	1.3
263.10385	6.9
264.10712	0.4
289.08295	10.7
290.08640	0.3
307.09369	20.1
308.09705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74394	0.5
58.00460	0.7
58.99948	1.4
59.01242	100.0
59.02392	1.6
60.01583	0.9
63.24477	0.5
69.03315	1.5
71.01239	35.2
71.02766	0.7
72.99168	1.1
73.01046	0.9
73.02804	79.8
73.04395	1.2
75.00722	0.6
80.89839	0.5
83.01239	15.7
85.02805	47.2
86.03126	0.8
87.00747	1.0
89.02291	9.6
95.01238	1.2
97.02814	1.3
99.00705	1.0
100.99420	0.8
101.02303	55.2
101.04886	0.8
102.48591	0.6
113.02309	13.2
119.03363	3.8
125.02313	3.1
128.03363	1.4
130.43549	0.6
131.03371	4.4
134.03537	0.7
143.03372	3.8
149.04427	4.1
149.05914	0.6
155.03334	1.8
161.03381	0.7
161.04449	8.6
221.06503	1.0
250.32611	0.5
307.09973	2.1
307.13501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01514	0.9
57.03316	1.4
58.00449	2.2
58.99935	1.2
59.01240	100.0
59.02405	1.8
71.01238	55.3
72.99167	3.1
73.02805	2.3
83.01241	3.8
85.02808	11.9
87.00745	1.2
88.12624	1.0
89.02296	76.9
95.01232	2.5
101.02302	33.6
106.06516	1.8
113.02299	24.3
119.03361	31.9
119.04164	2.2
125.30261	1.1
127.07517	45.0
128.03409	6.0
128.07867	1.6
131.03369	2.6
134.06003	6.0
143.03375	5.0
145.08585	3.5
145.78046	1.5
149.04424	4.5
159.05470	1.3
161.04422	4.2
169.09694	1.6
178.04982	2.8
179.05525	7.9
206.29689	1.3
209.13333	1.2
245.09201	1.8
303.15930	1.1
303.95676	1.3
307.14020	14.3
310.49249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	6.7
57.03320	5.4
58.00494	1.5
59.01239	71.5
59.02446	1.5
62.26390	1.1
67.80035	1.2
70.44550	1.2
71.01237	91.1
71.02799	1.3
72.48113	1.3
72.99181	4.7
73.02801	43.4
73.03193	2.4
75.00742	2.9
83.01236	18.9
83.01693	1.6
85.02802	52.6
85.99971	3.2
87.00712	7.6
89.02287	9.1
95.01270	4.6
97.02834	3.0
99.00737	16.9
101.02297	100.0
111.00758	5.1
113.02301	41.7
116.84052	1.6
119.03439	1.6
119.99706	1.6
125.02376	2.9
128.03413	2.9
129.01863	3.9
143.03462	3.5
145.12277	3.8
152.15796	1.6
159.02872	14.8
161.04448	40.4
205.03502	2.2
287.06796	1.6
307.17645	43.3
308.18222	3.7
317.44681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
53.94749	0.1
68.27075	0.2
69.74540	0.1
71.01247	0.2
84.97666	0.2
97.87711	0.1
103.48518	0.2
113.09589	0.3
128.03378	0.2
141.17433	0.2
165.95570	0.2
209.15425	0.3
289.21771	0.2
307.22800	100.0
308.23148	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2643
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
53.63150	0.5
54.58570	0.6
56.66002	0.6
59.01242	0.7
80.93291	0.7
112.76976	0.6
120.98208	0.9
127.34103	0.8
135.64645	0.7
155.81407	0.7
192.71576	0.7
202.29781	0.7
307.26434	100.0
308.26785	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90743	0.3
54.52460	0.4
59.01228	2.4
61.98690	0.5
63.86840	0.3
75.50420	0.4
82.02840	0.5
84.04380	0.4
85.02810	1.2
97.18491	0.4
100.03909	0.6
101.02314	0.8
102.05466	33.7
102.08178	0.7
103.05797	0.7
109.02797	0.8
115.35276	0.3
128.03406	52.7
129.01804	1.0
129.03735	1.0
133.02824	7.5
134.03561	1.5
134.99687	0.5
135.04395	40.4
136.04755	1.4
146.04475	100.0
146.09157	1.4
147.04811	1.6
161.02339	35.9
162.02705	0.8
172.02419	8.2
179.03447	3.4
216.65056	0.5
246.07649	0.7
264.08719	1.2
290.06808	1.3
308.07773	18.2
309.08044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1094
Annotation	H-Glu-Tyr-OH
Peak:m/z	Relative Intensity
56.24309	0.2
58.02844	0.5
59.01241	100.0
59.02412	1.7
60.01571	1.0
65.28394	0.3
70.02837	0.5
71.01241	2.7
71.16553	0.3
72.00768	2.0
74.02319	2.3
82.02838	1.0
84.04411	1.0
85.02779	0.7
86.44969	0.3
89.02301	3.2
93.03297	1.9
93.47263	0.3
101.02287	1.7
101.07076	1.0
106.04100	0.5
107.04848	0.4
109.03942	2.5
109.48228	0.3
112.03912	0.6
113.02324	0.8
119.03435	1.6
119.04889	6.8
123.05514	1.8
127.05007	9.3
128.03406	46.4
129.03757	1.1
134.05998	0.4
141.06592	1.4
145.05933	0.3
146.08099	0.9
153.05089	0.3
158.46614	0.4
163.03894	6.7
167.04533	6.4
178.04980	0.3
180.06569	28.2
181.06931	0.8
181.82578	0.4
185.05588	0.9
221.12978	0.5
247.10818	2.1
265.11942	0.6
265.61703	0.3
291.09894	9.5
292.10297	0.5
309.11688	8.2
310.12222	0.5
322.85635	0.6
327.53604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
52.86348	0.5
57.03315	0.9
58.00466	1.3
58.02865	0.8
58.99916	1.1
59.01242	98.1
59.02429	1.7
60.01583	0.8
60.51345	0.5
62.76332	0.5
64.96871	0.9
71.01237	36.0
71.02801	0.6
71.04871	2.5
72.00771	1.2
72.99173	2.6
73.02814	1.6
78.95782	0.7
82.02854	0.6
83.01247	1.6
85.02803	8.6
85.06462	0.9
87.00735	1.5
87.05518	0.8
89.02296	54.2
89.04494	0.9
90.02658	0.7
93.03342	0.6
94.60172	0.5
95.01233	2.6
96.96841	1.3
99.04350	0.7
101.02299	29.3
101.07069	0.9
109.03954	1.3
113.02302	15.1
113.05413	0.5
114.02674	0.6
116.07027	0.6
119.03369	23.8
119.04890	2.5
125.02492	0.6
126.47742	0.6
127.05009	4.0
128.03410	20.8
129.01846	1.0
129.03812	1.0
129.05414	3.4
131.03386	2.3
141.06583	0.6
143.03386	2.0
146.08122	12.1
146.37073	0.6
147.06500	0.9
149.04482	2.0
161.04482	1.9
163.03899	2.7
167.04559	2.3
179.05551	3.9
180.06575	10.4
186.12766	1.5
217.11957	2.8
291.09909	3.5
309.11874	100.0
310.12253	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01881	0.4
59.01247	2.5
64.14709	0.3
65.37238	0.3
65.64561	0.3
74.70739	0.3
79.51007	0.3
89.60043	0.3
105.19310	0.4
120.77013	0.4
123.88548	0.4
133.81535	0.4
135.04428	0.4
148.00195	0.7
148.05186	74.8
149.05446	2.3
151.07556	0.3
152.08316	0.9
165.05481	0.9
179.01645	9.6
179.97482	1.0
180.04195	100.0
180.10149	0.9
181.04543	2.7
183.01106	0.5
196.01981	0.5
197.02676	1.2
209.15410	0.8
223.63684	0.6
223.65546	0.3
240.43828	0.3
257.15466	1.2
285.23764	0.4
291.14090	0.5
309.15118	6.8
309.20496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92344	6.7
59.01240	100.0
62.72760	7.6
66.83633	8.4
72.06931	8.6
75.34151	9.6
99.00702	9.5
103.14496	8.3
107.67617	7.9
109.74480	7.8
111.08001	22.7
112.81368	8.9
118.49828	8.9
132.68990	8.4
151.03902	18.6
151.07526	20.9
152.08324	46.7
197.11755	77.9
204.64383	8.8
209.15465	49.0
211.13367	13.9
252.09999	14.2
265.18146	21.1
279.43552	9.9
291.15933	11.2
291.19733	18.7
309.17096	71.9
309.20566	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73725	1.0
58.00450	1.2
58.60250	1.0
59.00960	1.4
59.01241	12.0
69.03318	1.2
69.22895	1.3
69.32407	1.0
71.01222	1.2
83.04881	1.9
96.95902	1.1
99.00751	2.9
100.16660	1.1
111.08012	27.3
111.08703	2.1
115.63520	1.3
118.54549	1.2
127.07541	1.5
130.08777	1.3
151.03944	2.8
151.07568	4.3
151.11183	1.6
152.08359	6.9
153.12749	2.7
155.84399	1.2
166.13142	1.5
169.12271	6.8
179.10617	1.5
181.12276	1.6
183.13843	1.6
197.11769	100.0
198.12129	3.3
199.13304	3.4
209.15411	14.8
211.13354	10.1
219.17599	1.7
219.25298	1.6
222.07097	1.1
227.12886	2.6
247.20755	1.4
252.10107	1.8
263.20218	5.1
265.18182	4.7
273.18625	1.8
291.19675	20.7
309.17111	20.1
309.20740	27.2
333.48679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.3
57.59480	1.0
57.81881	1.2
59.01245	10.6
59.01477	1.0
74.43169	1.1
80.02571	1.4
81.03338	1.5
83.04919	1.5
95.01279	1.8
97.02837	2.0
97.06458	2.9
99.00769	6.6
103.19129	1.4
109.06521	2.2
111.08073	5.2
125.09610	2.5
146.27693	1.2
151.03897	18.9
151.05000	1.3
151.07538	19.1
151.08545	1.7
152.08333	40.8
153.08830	1.8
153.12843	1.9
162.10388	1.8
163.11218	4.4
165.09163	1.5
165.12753	8.1
171.10385	1.4
179.14430	2.4
181.12381	5.1
184.07431	4.1
190.09955	2.3
193.08772	4.4
193.16003	1.6
197.11769	13.6
208.11023	3.2
209.12199	2.3
209.15431	47.7
210.15813	3.2
211.13469	2.0
223.13460	3.6
234.88216	1.4
247.17067	2.6
247.20676	9.4
249.35945	1.5
252.10095	7.7
265.18030	11.6
273.18863	3.1
291.16397	4.2
291.19672	100.0
292.20004	7.5
309.17197	69.7
309.20874	73.5
310.17569	2.9
310.21078	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
59.01247	10.0
77.73678	0.9
77.87011	0.8
82.70920	1.0
83.04892	1.2
85.44453	0.8
87.24926	0.9
95.04855	1.2
96.95863	1.1
97.06475	1.4
104.03452	1.0
107.64770	0.8
108.73122	1.0
113.09562	2.1
115.07521	1.0
125.05976	1.1
126.06712	2.1
129.58253	0.9
151.03882	1.4
151.07523	2.2
152.08293	3.7
165.12741	4.9
167.14331	2.7
181.12302	4.5
181.13634	1.0
183.13873	1.4
190.09872	1.0
195.13806	1.3
209.15419	3.7
211.13365	3.6
221.15460	2.2
222.73311	1.2
240.13622	3.1
241.14258	1.0
242.10069	1.0
247.20699	3.2
252.10011	1.6
265.18179	1.1
273.18643	3.6
281.21185	2.4
291.19684	45.6
292.20029	2.8
309.17355	5.1
309.20715	100.0
310.17963	1.4
310.20844	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03305	2.7
59.01246	11.9
62.89582	1.3
69.03316	1.6
69.79624	1.4
72.78600	1.3
80.02539	2.0
81.03325	3.0
83.01244	9.7
83.04861	5.3
93.55312	1.3
97.06443	4.5
106.99714	1.5
109.37695	1.5
111.55863	1.7
119.64207	1.4
121.25559	1.6
123.04463	2.1
123.08022	3.9
124.89115	1.4
125.09583	12.2
139.11169	13.8
151.03900	2.3
151.07465	1.9
151.48152	1.9
152.08322	4.1
163.11220	6.9
165.12767	15.8
167.10686	6.2
181.12265	3.4
191.10764	5.8
193.15929	7.7
205.15805	1.7
209.11783	62.0
209.15166	3.3
210.12154	2.1
247.20674	13.5
265.21869	4.9
273.18518	7.8
291.19675	100.0
292.20108	3.8
309.15363	5.8
309.17566	1.8
309.20700	23.2
310.20786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10477	0.7
55.93906	0.6
59.01252	4.4
64.33839	0.7
71.01253	0.9
72.00760	8.3
72.61958	0.7
74.02332	25.9
84.04417	1.2
86.02357	3.1
104.00636	1.8
104.03393	100.0
105.03774	1.3
106.04098	3.8
107.04917	0.9
128.03468	0.9
161.09612	5.6
166.05034	0.9
179.10696	1.0
187.03883	0.7
200.60258	0.9
204.13945	1.0
238.44203	0.7
280.12051	3.3
310.13000	12.4
311.13376	0.8
332.49051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94133	0.5
59.01249	2.9
59.01488	0.5
61.98683	0.7
63.22703	0.5
66.65693	0.5
71.01244	1.9
72.77807	0.5
72.99171	0.9
73.02804	7.8
75.00733	3.1
87.00729	13.2
87.01245	0.8
89.02313	0.8
89.03828	2.2
93.03322	2.5
95.77872	0.6
98.46091	0.7
106.04098	0.6
107.04890	2.4
117.01809	20.7
117.03304	7.9
121.02814	2.6
122.03613	2.0
128.03430	0.7
130.08641	0.8
130.22243	0.6
133.02792	0.9
134.03615	87.0
134.08055	1.0
135.02904	10.4
135.03969	1.7
137.02339	1.7
139.03926	3.2
149.02342	7.3
149.05966	8.5
175.03870	0.7
178.02634	7.1
193.04994	100.0
194.05254	2.7
258.19019	1.8
259.19263	1.3
306.33450	0.7
311.08047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28070	0.1
58.99991	0.1
59.01242	9.7
71.01241	1.1
73.02789	0.7
75.11024	0.1
80.81757	0.1
83.01237	0.3
87.00746	0.2
89.29233	0.1
93.03333	0.3
95.04927	0.2
101.02296	0.4
106.04116	0.8
107.01764	1.2
107.04888	100.0
107.07588	1.2
108.05221	2.3
113.74686	0.1
117.01797	0.2
117.03312	0.2
123.04407	0.8
124.62910	0.2
133.02835	0.2
134.03627	1.5
135.02843	0.4
149.05943	0.3
161.05977	0.6
179.06992	0.2
193.04991	1.6
269.10336	0.2
311.29565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1866
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
58.48555	1.4
59.01247	9.3
68.77269	1.5
90.66769	1.7
94.59049	1.9
111.28790	2.1
117.43235	1.5
128.16571	1.6
131.83005	1.4
165.07947	1.8
167.14336	2.7
168.91388	3.7
170.88341	3.7
170.90950	1.9
223.20706	2.2
234.31601	1.7
249.18648	4.9
267.19666	100.0
273.68430	1.9
275.16669	5.5
279.30838	1.8
293.17618	42.3
293.20709	2.8
311.18704	33.5
311.22061	2.2
311.29361	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71487	0.5
55.01742	0.9
58.65361	0.5
59.01228	2.0
60.92904	0.6
71.04871	1.0
83.72284	0.6
87.71036	0.5
100.66597	0.6
101.25151	0.6
106.03351	0.5
111.07999	0.6
123.35388	0.5
129.09032	1.3
139.11121	1.2
151.11237	0.9
156.83643	0.7
167.14302	1.8
168.91322	1.2
169.12216	0.7
170.88271	0.8
171.10199	2.4
181.12302	1.2
193.12195	0.7
193.15794	0.7
197.11765	2.6
199.13416	1.4
207.17473	2.8
211.13342	4.1
221.19165	1.0
223.20630	100.0
224.20969	4.1
247.17003	0.9
249.18596	6.9
249.85657	0.6
262.27640	0.7
267.19669	35.3
268.20035	1.9
293.17587	4.2
293.21237	3.3
311.13022	2.0
311.18610	18.9
311.22278	16.4
311.29474	0.9
312.19046	0.8
312.22522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.05699	1.6
54.47183	1.5
57.03280	1.7
59.01226	6.8
62.98594	1.6
65.96534	2.0
99.07996	3.2
100.88235	1.7
113.09526	2.3
129.09073	8.0
145.05135	2.0
167.14381	2.0
168.91354	2.6
169.12279	4.8
181.12202	5.0
183.13901	2.7
193.12231	3.4
197.11781	15.7
199.13377	9.1
211.13344	28.1
223.20628	27.6
240.12894	2.5
247.16924	2.8
247.66937	1.8
263.85254	1.8
267.19727	11.4
293.18381	3.2
293.21255	18.8
294.21506	2.0
311.13223	12.2
311.18851	5.1
311.22275	100.0
312.22626	5.8
315.42017	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
50.33287	0.9
57.03307	1.9
59.01241	6.6
60.55717	1.0
80.29967	1.3
87.39676	1.2
99.08016	3.0
100.59105	1.2
111.08055	1.4
113.09578	3.8
125.09623	1.7
127.11134	2.2
129.09087	5.5
139.11136	3.6
151.11201	2.1
169.12282	2.7
171.10149	16.8
181.12241	5.7
183.13809	2.3
185.11708	2.7
193.12265	1.3
197.11769	10.1
199.13347	3.7
201.11296	2.5
208.10487	1.3
211.13319	17.9
247.17055	3.1
270.66046	1.3
275.20239	2.9
293.21231	17.3
311.13235	9.2
311.22299	100.0
312.22681	6.3
324.39258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01229	2.4
67.14704	0.6
73.81406	0.6
83.04857	0.6
99.55893	0.6
105.11275	0.6
113.09570	1.1
115.07506	1.1
127.07492	0.8
128.08278	1.1
154.31805	0.6
165.28720	0.7
167.14323	4.2
183.13826	2.5
195.13841	10.5
211.13248	1.0
213.14934	1.3
216.55675	0.7
242.15125	0.9
249.22308	0.7
265.15695	0.8
268.08463	0.7
275.20175	0.8
293.21255	9.4
311.22296	100.0
312.22641	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2593
Annotation	CHEBI:79180
Peak:m/z	Relative Intensity
51.47995	0.5
57.03305	1.0
58.38657	0.6
59.01235	1.7
63.96244	0.6
68.23112	0.7
69.03291	0.9
71.01230	7.2
71.04874	1.4
78.85632	0.6
93.73770	0.6
103.87673	0.8
120.41476	0.7
126.27618	0.7
183.01122	12.0
195.48160	0.9
196.62415	0.8
239.23747	6.1
265.25369	3.2
267.26880	5.5
283.74362	0.7
311.13434	1.1
311.16925	21.7
311.25943	100.0
312.26401	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
50.32282	0.1
50.50097	0.1
59.01239	1.4
71.01245	0.2
73.79323	0.1
81.03316	0.3
91.01752	0.2
96.96844	0.2
101.02267	0.2
102.05464	0.3
102.28291	0.2
108.02023	2.1
108.99980	1.3
109.02811	100.0
109.06065	1.1
110.03136	1.9
113.18654	0.2
116.46390	0.2
119.79892	0.2
123.04327	0.2
128.03419	0.4
130.08658	0.2
130.66040	0.2
133.02840	0.2
135.02866	0.3
139.11116	0.3
146.04465	0.4
151.03833	0.3
193.15053	0.2
199.67319	0.2
235.88435	0.2
253.09291	0.4
271.57825	0.2
313.09467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.093
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
51.36062	0.5
55.01751	1.4
56.46984	0.6
57.03323	2.9
58.39064	0.4
59.01240	8.6
63.87371	0.4
69.03311	0.7
70.99607	0.7
71.01238	45.2
72.99178	0.5
73.02802	14.7
75.00726	1.4
81.03315	0.7
83.01242	5.8
85.02805	20.9
87.00747	1.3
89.02303	1.6
93.03316	3.0
93.55919	0.5
95.01222	3.4
97.02818	1.0
99.00744	5.1
101.02303	20.0
102.02628	0.6
105.03360	0.7
106.04106	11.0
107.01894	1.0
107.04887	100.0
108.02053	2.4
108.05218	3.0
113.02311	17.8
119.04957	0.9
121.02838	1.8
123.04350	2.1
125.02267	0.7
127.71289	0.5
133.02840	6.3
135.02895	1.3
143.03322	1.0
149.05983	0.7
151.03896	68.5
152.04239	2.1
159.02887	3.5
161.04451	12.1
161.05818	1.0
162.04747	0.7
177.01808	0.6
192.39839	0.6
195.02937	4.0
201.93004	0.5
253.72260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17467	0.2
54.88290	0.1
59.01237	1.1
63.05470	0.2
71.01238	0.3
71.82209	0.2
74.41955	0.2
77.03828	0.6
78.03346	0.7
85.02805	0.4
89.02323	0.3
91.72733	0.3
91.73241	0.3
92.04916	2.3
94.02821	0.4
99.24763	0.2
101.02290	0.4
105.02056	0.5
108.04403	0.3
109.02762	0.2
109.06467	0.3
119.04836	0.2
120.04417	2.8
122.10168	0.2
135.03099	1.0
136.03915	2.4
138.05493	0.4
139.11084	0.3
149.01089	0.4
163.02634	1.1
163.97964	1.1
164.03433	100.0
164.09517	0.7
165.03792	2.5
165.09151	0.2
165.49123	0.2
183.01129	0.2
200.21585	0.2
253.09192	0.7
270.11450	0.5
313.08295	0.3
313.11832	1.0
313.16638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	Glochidionolactone E
Peak:m/z	Relative Intensity
54.60127	1.7
55.01752	2.4
57.03310	3.8
57.54972	1.3
59.00038	2.2
59.01242	100.0
60.14223	1.2
64.63110	1.5
71.01238	73.4
72.99158	2.2
73.02811	16.9
74.58990	1.4
79.19553	1.5
81.03323	2.3
83.01237	7.6
85.02807	28.9
87.00714	2.6
88.57761	1.5
89.02300	28.0
91.05391	11.8
93.03322	11.5
95.01254	5.0
99.00751	7.4
100.89395	1.5
101.02300	45.1
104.64318	1.5
107.04887	5.3
109.02765	2.3
109.06456	75.3
112.52901	1.5
113.02305	34.3
119.03355	11.7
125.03776	1.5
135.04387	4.3
143.03423	3.1
151.59050	1.8
152.04688	1.6
152.14127	1.4
153.05481	8.7
153.42926	1.5
159.02937	5.0
161.04448	35.6
165.09126	1.5
196.07329	1.6
196.19919	1.9
203.40251	1.7
204.32195	1.6
260.11615	1.8
315.10818	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25716	0.5
55.52789	0.4
59.01241	14.0
61.58924	1.1
61.59205	0.5
69.56553	0.5
71.01215	1.0
72.00773	0.5
72.99154	3.2
73.02768	0.6
74.99249	1.0
83.05993	4.3
83.99254	0.8
103.46671	0.5
108.00332	0.6
108.05502	0.8
114.98692	0.9
117.00301	6.0
126.00347	2.1
129.06570	0.9
131.08138	51.9
132.08473	0.8
141.00331	0.7
141.01419	1.4
141.05040	1.2
150.01440	0.8
150.05104	5.0
154.00946	0.6
156.07666	1.3
156.99870	2.7
158.81046	0.5
159.01421	3.6
171.01357	1.5
172.00916	22.7
172.99319	1.6
173.01114	2.6
173.02672	0.6
173.10339	6.9
174.00156	3.6
174.99352	4.4
178.08641	0.6
183.06201	1.7
185.02936	1.7
192.02631	4.3
192.06190	1.9
194.07823	2.7
196.05711	26.3
197.05841	1.7
198.99414	1.8
200.04099	1.1
208.05719	1.2
211.05698	1.2
212.08870	1.1
214.05669	2.6
217.00427	11.0
218.00696	0.6
225.09515	0.5
231.08350	6.7
238.06810	100.0
239.06989	6.3
241.00528	1.4
255.09488	55.0
255.21300	0.6
256.09665	3.6
259.01599	8.1
260.01920	1.1
273.10587	5.9
294.87128	0.6
315.11856	0.9
338.08929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	3.0
59.01226	4.8
61.98684	2.4
71.74052	1.4
84.04395	4.8
87.02855	1.3
95.04829	1.5
97.06434	10.2
100.03899	1.6
102.04793	2.5
102.05466	48.9
122.57410	1.3
123.08035	6.7
125.09585	70.8
126.09875	1.9
128.03398	74.2
134.85933	1.4
146.04459	11.9
169.08690	1.8
170.87895	1.4
171.48260	1.4
178.74652	1.2
186.11279	1.5
187.09666	68.8
210.14856	2.6
272.15018	8.6
298.12973	14.0
316.13998	100.0
317.14236	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41695	0.3
54.36184	0.3
55.07439	0.3
59.01236	0.7
66.87083	0.3
69.03304	0.6
71.01244	5.0
72.77857	0.3
73.02802	1.3
78.98447	3.9
79.95127	0.4
79.95589	6.2
79.96030	0.5
80.94565	0.7
80.96372	48.1
80.98403	0.8
85.02814	2.0
87.00746	1.8
88.76320	0.3
91.73312	0.4
93.33875	0.3
94.97942	10.3
96.95879	0.6
97.02812	0.7
97.41107	0.3
99.04396	0.5
101.02282	1.6
106.97935	2.6
113.02261	0.5
120.40623	0.4
122.97430	2.1
124.72729	0.4
124.99001	1.4
125.02330	2.2
127.03840	0.5
134.97452	3.6
136.99028	1.0
143.03384	0.4
148.99025	4.3
152.98535	5.4
154.38879	0.3
164.98520	7.9
175.54105	0.3
204.94615	0.3
206.99670	1.8
221.64758	0.3
225.00714	12.7
226.01073	0.5
281.72348	0.3
285.14539	0.3
304.24289	0.3
317.05481	100.0
318.05829	4.3
330.86539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72737	0.2
57.03311	0.2
59.01242	0.4
59.96429	0.1
63.96095	0.6
69.03321	0.3
71.01239	4.3
72.99177	0.2
73.02799	1.1
78.95750	0.2
78.98445	3.7
79.95162	0.2
79.95587	5.9
80.94591	0.6
80.96371	45.6
80.98444	0.6
81.03313	0.5
83.01237	0.3
85.02790	1.9
87.00732	1.8
87.04359	0.2
87.89826	0.2
91.73267	0.3
94.97940	10.4
96.95875	0.6
97.02806	1.2
99.00734	0.3
99.04366	0.2
101.02303	1.9
106.97946	2.5
113.02303	0.4
122.97433	1.9
125.02315	2.5
127.03870	0.7
134.97452	3.8
136.99005	1.0
143.03403	0.3
146.97409	0.2
148.99031	4.7
152.98523	4.6
152.99521	0.1
154.36917	0.2
161.04419	0.2
164.98532	8.5
165.98967	0.2
167.00134	0.4
188.98555	0.2
206.99632	2.0
225.00706	14.1
226.00951	0.4
280.42618	0.2
304.07944	0.4
317.05475	100.0
318.05823	4.4
330.86716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.9
59.01242	100.0
59.02551	1.8
62.26635	1.6
71.01239	54.7
72.23480	1.8
72.99162	2.8
73.02818	3.4
78.41109	1.7
83.01241	4.2
85.02800	10.1
89.02300	62.9
93.06958	31.5
95.01241	2.7
101.02301	29.9
113.02310	27.7
119.03366	26.0
128.03413	4.4
130.08592	4.1
143.03362	2.0
155.07040	4.5
161.04491	4.7
179.05530	4.7
205.73972	2.1
209.31793	1.9
238.50534	2.0
250.58801	5.7
251.64632	2.5
257.18716	4.7
287.18301	2.3
317.12411	40.4
318.12778	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	Mulinenic acid
Peak:m/z	Relative Intensity
57.03320	16.1
59.01240	13.8
63.89469	1.7
70.87894	1.9
85.06458	2.5
93.06956	3.0
97.06453	8.3
107.08534	6.4
113.02314	9.4
113.09581	100.0
121.10108	7.5
139.11169	31.9
147.11685	13.3
150.45036	2.0
165.12769	14.2
177.08971	2.0
191.10686	2.9
203.10786	4.0
215.33188	2.0
219.13913	5.9
235.86888	2.2
273.22269	32.4
274.22629	2.3
317.21289	62.8
318.21487	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86493	1.3
55.14653	1.2
55.36176	1.4
56.43292	1.4
59.01242	9.8
60.22466	1.3
61.71290	1.3
65.54748	1.4
71.01231	2.5
76.70882	1.3
86.02331	4.1
89.02288	1.7
112.34446	1.5
113.02328	3.1
119.03328	1.8
127.31067	1.7
135.04395	3.6
136.04752	3.2
136.71793	1.4
141.07443	1.7
157.08598	2.2
167.10661	1.9
179.03455	1.9
179.10727	3.3
180.03926	1.8
187.11581	2.9
197.11745	23.2
222.32497	1.6
231.10574	100.0
232.10954	2.5
234.67369	1.6
318.13800	48.1
319.13986	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73958	0.9
57.03315	9.1
58.02835	1.3
59.01247	5.9
59.61450	0.8
71.01244	4.9
74.02304	2.5
77.16389	0.9
82.02834	2.0
84.04414	1.8
85.02776	1.5
86.02338	12.7
87.00733	1.7
89.02293	2.5
96.96809	1.4
97.02806	1.3
99.34579	1.1
101.02293	1.7
102.98418	1.0
103.02091	11.6
106.61926	1.1
109.07623	1.1
113.02311	1.6
115.00238	2.3
120.01116	12.6
127.00314	1.1
127.04986	3.2
127.08640	13.7
128.03409	100.0
129.03745	2.4
139.00250	1.4
139.03918	1.3
153.06618	6.6
171.07661	35.0
175.02368	3.2
197.05580	1.6
213.03409	1.1
215.06709	4.0
231.04404	9.4
249.02922	1.5
249.05490	31.1
249.07918	2.2
261.13266	1.2
319.06723	1.7
319.22852	1.6
334.13913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	15(R)-HETE
Peak:m/z	Relative Intensity
52.07122	1.4
57.03301	5.8
59.01241	44.2
60.19532	1.3
64.53559	1.5
65.63149	1.4
66.23967	1.5
70.19228	1.5
71.01247	2.3
83.04883	3.2
97.06445	2.2
99.07999	5.7
107.08489	3.6
112.64032	1.6
113.09592	22.7
116.64085	1.7
117.06933	2.0
119.08517	2.4
121.10121	13.1
123.02831	1.8
133.10056	2.3
134.41553	1.8
136.82423	2.1
139.11143	3.6
147.11658	3.4
149.13240	3.5
164.54561	1.8
175.14833	44.3
175.55318	2.0
193.12346	2.9
203.18013	12.6
205.12270	3.2
219.13853	59.8
220.14194	2.5
257.22745	52.5
258.22928	2.4
275.23819	14.9
301.21729	75.9
302.22153	3.4
319.22791	100.0
320.23260	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2279
Annotation	15(R)-HETE
Peak:m/z	Relative Intensity
57.03303	8.0
59.01243	54.9
61.89304	3.8
64.50938	3.6
72.54436	4.3
83.04912	4.7
99.07999	11.5
113.09580	37.3
121.10067	12.1
124.98930	4.3
133.05914	4.7
139.11151	12.2
175.14827	21.0
203.18022	11.1
206.90227	4.4
215.61433	4.7
219.13841	26.4
225.92349	5.0
257.22784	36.7
275.23956	28.9
301.21732	35.7
319.22809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2278
Annotation	(plusmn)12-HETE
Peak:m/z	Relative Intensity
53.08599	1.3
57.03316	2.8
59.01241	34.9
67.63988	1.1
69.03306	5.4
71.01234	2.8
73.93261	1.2
80.99846	1.1
83.04842	2.2
91.73347	2.4
97.02819	1.2
107.08513	6.1
119.08504	1.6
135.11655	10.2
139.11150	5.7
149.13283	1.6
153.12761	3.4
155.07030	2.5
161.09677	2.1
163.11188	12.5
163.14813	4.3
167.10690	2.5
177.09084	1.7
179.10683	70.9
180.11116	3.5
181.60109	1.4
189.16504	1.6
203.17961	7.4
207.10233	5.3
208.10989	8.8
229.19626	2.2
240.09991	5.5
247.89140	1.2
257.22736	28.0
258.23026	2.7
275.20703	1.5
275.23700	7.3
301.21750	36.2
302.22125	2.7
303.52390	1.5
319.08099	1.5
319.22787	100.0
320.23117	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00030	2.3
59.01241	100.0
59.02312	1.8
60.33642	1.1
61.98688	4.9
64.49857	1.0
64.83060	1.0
69.03336	1.4
71.01237	44.8
72.92395	1.1
72.99170	1.3
73.01073	2.7
73.02802	97.0
83.01235	26.0
85.02806	4.8
87.00746	2.5
89.02306	10.6
95.01286	1.4
99.00743	2.3
99.04366	5.1
101.02304	67.5
102.02670	1.8
104.05612	1.2
113.02311	10.1
117.05428	8.1
119.03368	2.8
119.84293	1.2
125.02289	2.6
128.03394	6.9
130.08626	4.0
131.03360	5.5
143.03354	4.4
143.08804	1.3
145.04907	2.4
149.04414	3.5
155.03455	1.3
161.04459	11.9
162.04997	1.3
172.40117	1.3
194.85736	1.3
213.34026	1.4
233.86485	1.4
259.13022	3.6
261.09933	1.6
279.10999	1.9
321.11911	33.8
322.12436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99933	1.2
59.01241	100.0
65.66831	1.0
67.01752	1.7
71.01239	3.5
71.04884	1.2
73.02815	1.4
81.03294	1.4
83.04891	3.3
89.02292	1.5
96.58316	1.2
97.02804	4.0
97.06446	1.6
99.04378	6.3
107.04890	2.0
109.02814	8.5
109.06487	1.9
113.05962	3.3
122.03603	4.9
123.04364	3.4
123.08038	3.0
125.05956	8.8
136.05159	3.9
137.06018	2.8
138.06731	6.8
138.39226	1.4
139.07530	17.3
149.05760	1.6
151.07527	20.6
152.04625	1.8
152.08286	4.1
165.09097	10.7
167.03467	2.7
177.09203	3.1
187.11205	1.8
202.09947	3.9
215.10745	1.8
217.12312	8.4
219.10263	4.5
235.13474	1.8
277.14471	3.3
300.50388	1.5
321.13483	6.1
341.54111	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.12477	0.5
57.53608	0.6
59.00005	1.3
59.01242	100.0
59.81229	0.5
60.01578	0.8
63.58227	0.7
70.15051	0.6
71.01234	7.9
73.02809	8.1
83.01267	2.3
85.02813	2.7
86.92048	0.7
89.02333	0.8
90.28475	0.7
98.33768	0.7
99.00742	0.8
101.02296	7.7
113.02309	3.5
119.03404	0.8
161.04521	3.0
200.53592	0.7
279.14362	5.6
279.41620	0.8
280.89963	0.8
321.12042	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43864	0.8
55.01751	1.3
55.41280	0.9
55.49260	0.8
59.01241	42.4
59.84363	1.0
69.17536	0.9
71.01234	20.1
71.01598	2.0
72.99173	1.1
73.02792	2.3
83.01228	2.6
85.02812	4.9
89.02289	17.6
93.03315	4.1
93.83791	1.1
95.01241	1.0
99.00699	1.0
101.02301	15.5
111.04399	1.3
113.02301	7.4
113.09582	6.5
119.03360	5.5
121.06458	2.9
123.10947	1.2
126.57539	1.1
130.08607	20.2
137.02324	2.9
141.09103	7.1
146.99722	1.4
155.03424	2.2
159.10165	22.6
162.31052	1.1
165.05487	4.7
182.15401	1.5
205.09966	1.1
211.18143	1.5
227.21291	1.7
243.41354	1.1
270.04819	1.1
271.20285	50.0
272.20673	2.3
279.14520	1.1
321.15598	100.0
322.15942	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43864	0.8
55.01751	1.3
55.41280	0.9
55.49260	0.8
59.01241	42.4
59.84363	1.0
69.17536	0.9
71.01234	20.1
71.01598	2.0
72.99173	1.1
73.02792	2.3
83.01228	2.6
85.02812	4.9
89.02289	17.6
93.03315	4.1
93.83791	1.1
95.01241	1.0
99.00699	1.0
101.02301	15.5
111.04399	1.3
113.02301	7.4
113.09582	6.5
119.03360	5.5
121.06458	2.9
123.10947	1.2
126.57539	1.1
130.08607	20.2
137.02324	2.9
141.09103	7.1
146.99722	1.4
155.03424	2.2
159.10165	22.6
162.31052	1.1
165.05487	4.7
182.15401	1.5
205.09966	1.1
211.18143	1.5
227.21291	1.7
243.41354	1.1
270.04819	1.1
271.20285	50.0
272.20673	2.3
279.14520	1.1
321.15598	100.0
322.15942	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2071
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
57.10513	0.4
59.00070	2.0
59.01241	100.0
59.02568	0.7
60.01579	0.9
60.77986	0.4
61.16732	0.4
61.40340	0.4
63.56454	0.3
64.04562	0.4
87.13196	0.4
90.99150	0.4
91.72860	0.5
103.03862	1.5
126.02909	0.4
135.14424	0.5
171.47169	0.5
180.75830	2.1
277.17999	0.9
321.20718	64.4
322.21109	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
56.73388	2.3
57.03295	2.2
59.01236	5.4
59.80393	1.6
62.11979	1.7
66.11266	1.8
68.30573	1.7
70.55132	2.0
78.95753	4.4
91.73273	3.1
93.62952	2.3
113.09575	7.1
136.04309	2.7
141.01590	3.7
194.56326	2.3
195.13892	3.5
208.34337	2.4
223.16968	4.0
321.24371	100.0
322.24734	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2437
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
53.99081	9.0
54.97983	7.9
59.01234	37.3
74.36716	9.6
77.17586	12.4
78.95763	54.1
78.96142	9.4
107.90557	9.6
111.75529	9.0
126.87208	9.2
141.01605	19.3
171.54176	11.0
181.90680	11.9
221.15401	57.8
226.21211	10.5
303.23389	83.2
321.13254	15.0
321.21155	25.0
321.22198	17.4
321.24615	100.0
321.91586	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	14.1
71.01231	4.3
72.39243	0.7
73.02809	0.9
73.34692	0.7
75.00720	0.9
84.04394	1.4
85.02800	1.6
89.02282	1.8
89.03832	1.7
89.10366	0.8
91.72737	0.8
100.79094	0.8
101.02314	5.1
102.05469	11.9
106.06433	1.1
112.23083	0.7
113.02305	2.6
114.24010	0.7
117.03312	3.8
119.03493	1.0
119.04892	22.6
120.42752	0.8
128.03409	27.8
130.08614	47.9
131.08957	7.8
132.02049	1.6
134.03612	100.0
134.07986	1.1
135.02835	3.2
135.04070	2.7
135.04243	2.7
136.05266	0.9
146.04477	43.5
148.05168	1.9
149.05969	45.6
150.06375	1.2
160.01546	7.4
161.02330	2.5
161.05971	1.5
162.03133	2.6
163.03903	19.6
172.02414	2.7
172.27017	0.8
175.03908	18.6
177.05440	1.6
190.04988	1.2
192.06601	1.0
193.04994	25.1
203.05737	1.1
204.06610	1.3
211.18095	2.7
212.18390	2.2
217.07451	1.2
227.21211	2.5
230.41248	0.9
232.09752	9.2
234.11264	1.8
238.19960	1.0
243.06937	4.9
260.09222	2.4
271.20294	77.0
272.20605	50.6
273.20911	1.4
278.10291	4.5
304.08276	13.9
305.08380	1.5
322.09329	43.5
323.09552	3.0
339.77722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.0
59.00964	1.0
59.01242	10.9
65.03593	0.5
66.88947	0.5
70.40282	0.6
71.01235	5.8
71.43693	0.6
73.01090	0.8
73.02805	45.4
75.00729	0.7
78.95757	14.4
81.26472	0.5
83.01233	1.0
85.02805	1.7
87.00714	0.9
89.02296	8.0
95.01269	0.8
96.00690	0.6
96.96819	7.1
99.00744	6.1
99.04383	2.9
100.25426	0.6
101.02310	5.6
111.01853	1.6
113.02291	3.0
113.99285	0.6
116.98377	1.2
117.01801	100.0
118.02137	1.8
119.03384	1.7
128.03397	5.6
143.03363	2.3
161.04477	3.3
163.97357	0.7
166.62189	0.8
179.05498	1.1
211.00098	2.5
266.87500	0.8
323.03009	3.7
323.09708	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04095	0.3
58.99980	0.5
59.01241	27.9
59.02331	0.4
68.19851	0.4
71.01237	1.2
71.41745	0.3
73.02793	0.5
85.02789	0.4
88.46935	0.3
89.02283	0.6
90.58170	0.4
90.72728	0.4
93.03301	1.7
101.02330	1.0
113.02305	1.1
117.01804	1.2
117.03328	0.5
119.01259	0.9
119.04890	79.2
119.08116	0.8
120.05254	1.6
121.02786	0.4
130.08611	1.4
135.02905	1.7
145.02859	4.9
159.02924	0.7
161.04509	0.4
162.98140	0.9
163.03903	100.0
163.09030	0.9
164.04251	3.0
177.03949	3.3
219.06558	0.9
235.29437	0.4
236.80962	0.6
263.05618	2.9
271.20309	3.4
272.20578	0.4
280.97037	0.4
281.06619	0.4
333.14038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87570	0.3
57.87994	0.3
58.06916	0.3
58.24420	0.3
58.99953	0.8
59.01241	49.3
59.02393	0.9
59.84113	0.4
60.01583	0.3
66.88170	0.4
70.69762	0.3
71.01245	1.2
71.68657	0.4
73.25029	0.5
88.16419	0.4
89.02302	0.7
93.03319	2.0
96.12299	0.3
99.00743	0.6
101.02330	0.6
101.05923	0.6
112.78549	0.4
113.02310	0.7
117.03342	1.5
119.04889	90.3
119.08192	1.2
120.05201	2.8
121.02804	0.7
127.07966	0.4
130.08630	3.5
131.04910	0.6
145.02818	7.7
146.03166	0.5
151.42479	0.3
159.02945	0.8
159.81551	0.4
163.03902	100.0
163.09167	1.2
164.04250	2.7
166.13214	0.3
177.03996	2.0
203.03433	0.6
219.06602	1.6
236.80841	0.6
236.83006	0.4
263.05609	5.4
271.20306	8.4
272.20694	1.6
273.20834	0.7
323.09760	0.5
331.79321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0886
Annotation	Portulacaxanthin I
Peak:m/z	Relative Intensity
59.01242	3.5
65.51354	0.4
71.01249	1.5
71.19527	0.4
82.02843	1.2
84.04405	9.1
85.02809	1.8
89.02284	0.9
101.02325	0.7
102.05468	19.8
104.04906	0.7
106.03587	0.8
106.06485	60.4
107.06807	1.5
110.02264	0.6
110.03522	0.5
113.02295	0.9
119.04906	0.4
127.99520	1.3
128.03407	100.0
129.01910	0.5
129.03777	1.8
131.06036	5.2
145.07590	4.7
146.04474	17.5
149.07100	3.6
150.05495	12.6
157.60648	0.5
161.07079	0.9
163.03877	0.6
172.02400	3.8
173.10736	1.3
189.06624	12.8
190.06824	0.7
191.11870	2.1
194.04514	9.6
201.06625	5.0
217.09764	7.0
235.10834	1.2
243.07730	19.1
244.08005	1.0
261.08817	3.9
279.09879	3.3
287.06741	4.8
305.07803	4.9
323.08859	20.0
324.09332	0.8
334.13782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74968	0.4
57.03320	1.6
58.00464	1.5
59.00115	1.7
59.01240	98.0
59.02509	1.3
60.01603	0.6
64.43834	0.5
67.97758	0.5
71.01237	44.8
72.99161	2.9
73.02808	2.1
76.89137	0.5
83.01250	2.3
85.02808	8.5
87.00716	1.5
89.02293	59.6
89.04671	0.8
95.01238	3.5
95.55517	0.5
99.00751	0.9
99.08031	0.7
99.25566	0.6
101.02299	34.6
102.02634	0.7
113.02303	18.8
114.01842	4.7
114.02612	0.8
119.03361	27.9
125.02310	0.7
131.03378	1.2
143.03316	2.6
149.04453	1.3
161.04424	2.6
174.03998	1.5
179.05510	4.4
179.95049	1.7
251.64587	0.6
263.06924	0.7
274.12576	0.6
323.13483	100.0
324.13629	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30272	0.4
52.63117	0.4
54.14843	0.4
55.01739	0.6
57.03316	1.0
58.00463	1.4
59.00096	1.9
59.01242	100.0
59.02546	1.5
60.01583	0.6
68.49799	0.5
70.02859	1.1
70.99743	0.7
71.01238	45.6
71.04880	0.8
71.38983	0.4
71.98695	0.4
72.99168	1.7
73.02813	1.2
80.31808	0.6
83.01244	2.9
85.02802	8.8
86.02321	0.8
87.00745	1.8
87.68323	0.5
89.00166	1.1
89.02296	61.4
89.97678	0.5
95.01254	2.5
96.95892	0.6
99.00741	2.3
99.07981	0.6
101.02301	31.3
113.02309	19.1
114.01831	21.2
115.02184	0.6
119.00134	0.6
119.03365	27.9
124.00299	1.1
130.49529	0.5
131.03377	2.3
133.14496	0.5
143.03384	2.2
147.03008	0.5
149.04472	1.7
161.04478	1.8
174.03976	6.2
179.05537	3.7
179.95142	1.4
218.65376	0.7
251.64670	0.8
258.08221	0.5
263.06680	2.0
323.09006	9.7
323.13461	94.5
324.13739	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2592
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
50.25944	0.2
57.03308	0.6
59.01242	1.7
65.07766	0.3
71.01241	1.4
72.15044	0.3
76.49087	0.3
77.95573	0.2
78.51408	0.4
85.02813	0.6
87.00706	0.3
89.02311	0.5
97.06462	0.3
100.16534	0.3
101.02284	0.7
113.02305	0.6
113.09599	1.4
120.31692	0.3
161.04434	0.5
183.25197	0.3
187.27936	0.3
188.20641	0.3
199.13332	2.5
207.17450	1.0
223.16991	16.8
224.17224	0.6
246.10677	0.4
253.99513	0.3
303.23267	0.4
305.24863	22.5
306.25290	1.7
321.24146	0.3
323.25919	100.0
324.26270	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01215	0.4
63.90868	0.3
81.19015	0.3
90.72771	0.6
93.03334	0.8
119.01208	1.1
119.04892	100.0
119.08073	1.3
120.05221	2.3
163.03905	75.5
163.45303	0.4
164.04274	2.8
166.71060	0.4
170.23972	0.4
315.37494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76335	2.9
59.01237	8.6
59.03590	2.3
65.47592	2.2
71.01244	3.0
73.46799	2.7
79.95589	9.9
83.04890	4.7
94.08040	2.6
95.04877	4.2
96.95876	73.6
96.96495	5.7
97.06461	4.3
98.03616	3.1
121.25518	2.9
122.97399	4.7
125.09581	4.0
127.07522	12.2
134.04599	13.3
153.09134	9.1
163.11238	4.0
171.10194	8.4
185.11810	13.5
197.11784	9.3
209.11797	56.7
238.12135	6.9
256.13181	4.7
289.18207	11.2
292.94809	3.6
307.19174	68.7
308.19357	4.8
312.98804	3.7
324.66302	4.2
325.16946	100.0
325.20367	21.0
326.17303	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01228	6.3
63.96092	10.3
70.00034	1.5
71.04884	1.7
71.98277	1.5
73.60727	1.4
102.85725	1.4
121.02840	5.3
121.94164	1.8
122.03642	4.2
134.04622	12.6
136.05164	2.5
149.99857	1.8
167.14343	5.4
177.09450	6.0
193.15919	4.1
207.17583	5.3
207.54524	1.9
231.17560	3.6
231.86124	2.2
249.18571	33.2
275.16534	29.7
281.21378	8.5
293.17612	100.0
294.18063	5.4
307.19019	3.8
325.20270	80.7
326.20612	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2747
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
57.03305	1.0
58.64299	0.3
59.01229	1.9
59.75165	0.5
60.99158	0.9
61.62560	0.4
63.56315	0.3
65.85379	0.4
69.03315	2.2
73.24207	0.6
79.01794	0.5
80.02519	1.3
81.03313	2.9
83.56192	0.4
106.64750	0.4
109.06431	0.5
119.04893	0.7
134.04630	0.7
170.00220	0.5
178.39581	0.4
183.01143	11.8
184.01761	0.8
197.02739	1.0
257.93356	0.4
263.23758	3.1
265.25375	24.3
266.25769	1.6
281.28519	10.9
282.28799	0.8
307.26456	17.8
308.26810	1.3
325.18585	21.3
325.27499	100.0
326.18814	0.7
326.27911	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.5
59.01244	2.0
59.38593	0.3
60.99156	1.2
69.03293	1.4
73.24200	0.5
79.95592	0.6
80.02522	0.7
80.19470	0.4
81.03308	3.0
83.05925	0.4
87.04942	0.4
107.04827	0.4
109.06455	0.7
119.04882	0.6
130.57472	0.4
163.11172	0.6
165.81462	0.4
170.00279	0.6
183.01137	12.0
184.01872	1.0
197.02696	0.7
263.23889	3.4
265.25385	21.0
266.25641	1.2
281.28531	8.2
282.28864	0.7
307.26434	18.0
308.26797	0.9
325.18597	21.8
325.27490	100.0
326.18768	0.9
326.27838	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2749
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
53.45160	0.5
58.99892	1.0
59.01244	100.0
59.02462	1.7
60.01579	0.7
63.61692	0.5
69.18569	0.6
69.98309	0.5
79.95617	0.8
91.91910	0.6
104.33323	0.6
112.51492	0.7
119.04892	1.0
163.11227	0.8
179.07013	1.4
179.10649	1.5
183.01135	19.6
184.01816	1.0
250.01114	0.7
281.27606	3.6
325.18494	39.8
325.27478	46.7
326.18808	2.8
326.28012	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
54.08265	0.9
55.01744	1.3
57.03312	1.9
59.01244	41.6
59.22659	0.8
60.01551	0.9
69.10122	0.8
71.00865	1.8
71.01239	22.4
73.02814	5.2
83.01256	5.9
85.02805	10.2
89.02296	13.7
91.72732	2.2
95.01253	2.1
101.02295	17.7
108.01983	1.5
113.02302	9.3
119.03369	7.8
119.04897	2.0
121.02854	1.5
121.06474	6.9
122.03600	15.4
123.04404	18.9
128.03369	1.3
129.29930	1.2
145.06462	1.0
147.04416	22.6
149.06004	1.2
161.04465	1.7
165.05473	31.3
166.05858	1.2
175.82413	1.1
178.32556	1.1
270.47479	1.1
327.10876	100.0
328.11249	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	9.5
62.94946	0.2
68.99670	0.4
69.57707	0.2
71.01237	2.0
73.02797	0.6
79.36909	0.2
80.63176	0.2
81.03312	0.2
83.01241	0.3
83.04895	0.4
85.02809	1.7
93.03320	0.6
95.01199	0.3
99.04369	1.2
101.02306	0.8
107.04890	0.6
108.02031	9.7
109.02821	3.3
113.02293	1.1
113.80681	0.2
118.58640	0.2
121.02828	2.5
121.03670	0.3
121.06418	0.3
122.03602	97.2
122.07061	1.3
123.00308	0.7
123.04388	100.0
123.07909	1.3
124.04716	2.1
124.06176	0.4
125.09904	0.3
130.21577	0.2
135.04399	0.6
136.50743	0.2
137.02322	3.2
137.05942	1.0
143.03282	0.2
147.04414	0.6
149.05998	0.5
149.12546	0.2
161.04471	1.3
162.58578	0.2
165.05495	1.4
177.05531	0.7
203.05559	0.5
243.68074	0.2
265.91318	0.2
267.08801	0.6
327.11212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96186	0.2
58.01471	0.2
59.01243	9.3
68.99686	0.2
69.03283	0.2
71.01242	2.0
73.02809	0.7
74.16280	0.2
81.03347	0.2
83.01237	0.6
83.04900	0.6
85.02803	1.3
92.81728	0.2
93.03325	0.6
95.01208	0.2
99.04365	1.3
101.02298	0.8
107.04877	0.5
108.02032	9.3
109.02119	0.3
109.02826	4.2
113.02306	0.8
121.02840	2.2
121.03684	0.3
122.00278	1.1
122.03607	99.9
122.07442	1.1
123.01015	1.2
123.04395	100.0
123.08266	1.1
124.04723	2.3
125.02323	0.3
125.09966	0.2
127.03914	0.3
129.79253	0.2
136.05225	0.2
137.02316	3.1
137.05966	0.7
142.72049	0.2
147.04416	0.6
149.05988	0.4
150.03062	0.3
161.04480	1.1
165.05484	1.6
177.05495	0.8
203.05496	0.3
207.06500	0.2
267.08792	0.5
338.72116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1636
Annotation	Steryl sulfate
Peak:m/z	Relative Intensity
57.95628	0.2
59.01224	0.7
59.89999	1.1
60.42991	0.2
72.74712	0.3
77.77457	0.3
79.95608	1.3
84.02012	0.9
91.72688	0.6
118.30499	0.5
119.04900	1.6
122.03594	0.7
123.04342	0.3
124.51798	0.3
124.70028	0.3
126.90242	0.4
127.11249	0.4
134.04552	0.8
137.09589	1.2
153.06694	0.4
155.10707	1.8
168.91301	0.9
170.00302	1.5
171.10173	3.8
183.01128	53.8
184.01830	3.5
193.09389	0.4
197.02724	1.0
213.11345	0.4
216.00894	0.7
225.05930	0.7
239.07460	1.0
253.09087	0.5
269.09079	0.3
315.86200	0.3
327.16367	100.0
328.16702	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.35758	1.0
57.03308	2.8
59.01231	4.9
60.38577	1.1
69.03307	2.4
78.33492	1.3
82.51917	1.1
83.04881	2.4
85.02802	13.4
89.00072	1.1
97.02825	1.7
97.06455	3.4
106.95640	1.2
122.03619	4.2
123.04406	1.8
123.08052	1.5
126.90208	1.9
127.11170	1.8
131.32031	1.4
134.04630	2.0
137.09589	3.0
168.91328	3.7
171.08713	1.9
171.10181	34.6
183.13838	1.8
185.11768	1.8
197.02716	1.4
201.11241	2.2
211.13332	17.2
221.11748	2.4
229.14433	9.1
239.13040	1.9
291.19708	4.5
309.20816	1.8
327.13211	3.0
327.21796	100.0
328.22214	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	12.1
60.07294	1.6
60.71960	1.4
61.41660	1.6
61.98683	3.3
71.01247	5.5
72.99167	7.9
75.00726	18.1
81.03323	3.0
81.38788	1.7
89.02293	8.8
91.72696	3.9
93.03304	15.1
95.01237	5.2
95.04886	6.9
100.98667	5.1
101.02314	1.7
105.03337	4.2
109.02828	8.9
111.04372	4.1
113.02352	1.9
121.02830	18.5
122.03613	7.9
123.00745	23.1
123.04404	63.5
124.01553	16.3
125.02380	2.1
135.02869	55.1
137.02316	37.9
138.03020	1.8
139.03893	44.3
139.04903	3.6
144.21040	2.3
149.02330	58.3
165.01839	7.8
167.03403	100.0
168.03700	2.9
193.01399	12.2
194.01961	2.2
211.02466	15.8
227.63596	2.0
295.78143	2.0
314.54916	2.2
329.05014	2.8
329.08752	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
58.25594	0.2
59.01236	1.5
62.69901	0.2
64.63931	0.2
68.99696	0.3
69.03306	0.2
71.01239	6.1
73.02802	2.2
75.00742	0.2
78.95762	0.5
81.03316	0.9
83.01242	3.3
85.02806	2.6
87.00748	0.2
89.02303	0.7
93.03312	0.2
95.01250	0.5
96.95903	0.4
96.96821	0.7
97.02802	0.7
97.76660	0.2
99.00742	1.0
99.04376	0.4
101.02299	4.8
102.05480	0.3
107.04886	0.4
108.02015	1.2
109.02816	1.6
113.02305	3.8
115.00231	0.2
119.15275	0.2
121.02827	2.4
121.06473	0.4
122.03603	100.0
122.07054	1.2
123.00713	0.3
123.04442	11.5
123.08085	0.2
124.01546	1.2
124.04708	0.3
125.02312	18.1
126.02672	0.5
128.03386	1.1
135.04375	1.8
136.05212	0.4
136.45210	0.3
137.02333	0.9
137.05943	1.8
138.01796	0.2
143.03366	0.7
145.06021	0.3
146.04471	0.4
147.04411	1.4
149.02309	1.1
149.05957	0.7
150.03073	0.4
159.02895	1.2
159.04291	0.4
160.98476	0.2
161.04451	8.5
162.03117	0.5
162.04739	0.2
165.05472	5.5
167.03400	0.4
169.01248	0.3
175.03961	0.2
177.05487	2.4
186.04045	0.3
191.98737	0.2
209.04578	0.3
239.05492	0.3
269.06482	0.3
270.02600	0.4
285.09799	2.0
292.13528	0.2
303.63702	0.2
329.04968	0.5
329.08743	4.2
330.04730	1.3
330.08130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1144
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
50.34462	1.4
53.92066	1.8
54.55663	1.6
59.01228	8.3
62.53217	2.0
68.72794	1.6
82.02843	5.6
102.05468	2.6
106.06476	9.1
108.04457	2.4
122.06007	2.8
124.21169	2.0
128.03427	4.7
132.04422	34.3
133.05179	9.0
134.06000	42.8
136.03943	2.7
149.04691	3.5
160.03941	25.2
161.04729	41.2
162.05505	93.2
164.03368	4.7
176.03410	4.7
176.44843	2.5
193.03740	56.5
194.04425	2.8
201.11195	2.3
212.07166	8.1
213.08087	2.7
214.08696	8.5
226.08826	2.0
241.06293	10.4
242.11877	7.2
243.11511	3.6
257.09357	13.6
267.11328	2.1
268.09741	3.2
269.09360	9.1
285.09216	4.7
285.12460	100.0
286.12796	3.7
311.10217	12.8
329.11438	72.1
329.15027	3.9
330.11743	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00070	0.2
59.01236	0.8
68.49600	0.2
71.32391	0.2
76.93441	0.2
77.03827	0.8
78.03332	0.9
84.23650	0.2
92.04908	2.2
94.02842	0.4
96.95952	0.2
105.02035	0.4
109.02836	0.3
120.04408	2.4
121.02970	0.2
128.03366	0.3
135.03133	0.8
136.03922	2.0
138.05481	0.3
139.35411	0.2
145.86690	0.2
149.01064	0.4
163.02666	0.5
163.97992	1.1
164.03427	100.0
165.03758	2.8
175.68550	0.2
213.15538	0.2
222.07346	0.2
282.66345	0.2
286.10812	0.4
299.10541	0.3
311.10101	0.3
329.11511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
51.59669	0.6
51.99627	0.6
57.03293	1.0
59.01232	3.2
59.26162	0.7
61.58698	0.7
76.43636	0.7
83.04888	0.7
99.08003	5.1
118.15967	0.7
125.09566	1.4
127.11169	3.8
128.90048	0.7
139.11180	9.3
144.60506	0.8
155.10638	1.0
170.88284	1.4
170.91031	2.0
171.10178	22.9
172.10504	1.1
183.13766	4.2
193.12286	1.5
199.06685	0.8
201.11279	1.3
209.11748	1.8
211.13344	17.6
229.14458	13.8
251.04608	0.9
293.21295	1.5
329.23364	100.0
330.23727	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73092	0.7
53.73322	0.5
56.72180	0.4
57.03304	2.1
58.43931	0.4
59.01233	1.3
60.42194	0.4
64.10551	0.4
64.59898	0.4
65.00180	2.2
65.99710	2.5
66.03355	2.5
66.15240	0.5
67.01743	1.1
68.01274	6.3
68.99675	16.1
69.01142	0.5
69.03313	0.9
70.02824	1.6
71.01219	1.8
74.02300	0.5
75.01300	0.5
75.36624	0.4
78.03349	0.6
78.95741	1.4
80.01286	0.5
81.03328	1.1
82.02838	5.0
82.63790	0.5
82.99974	1.2
83.00790	0.7
83.01243	10.5
84.00771	3.0
84.04404	0.8
87.00708	0.6
93.98460	0.5
94.02844	5.2
95.01219	0.6
96.00769	4.5
96.04401	4.7
96.99174	9.1
97.02807	1.9
98.02338	2.2
99.00738	9.0
99.04462	0.4
101.02326	0.5
106.02837	0.9
107.01252	4.5
108.00757	0.6
108.04392	1.3
110.02336	6.1
111.00757	0.6
112.00272	12.9
112.03899	2.0
113.02321	1.1
115.00215	0.5
121.02799	0.6
122.02338	3.3
122.03667	1.1
124.00274	18.3
124.03927	4.8
125.00945	1.1
125.02315	25.5
126.01838	9.4
127.00238	5.9
127.05020	3.2
128.03404	21.3
131.01251	0.8
134.04538	0.6
138.01849	12.7
139.99742	0.7
140.03430	10.7
145.06068	3.8
149.02379	1.0
150.01840	0.9
151.00259	28.6
151.99808	2.5
152.03378	2.1
154.01364	0.9
157.01387	2.7
159.02869	4.7
166.01321	4.4
167.03389	0.6
168.00566	1.4
168.02925	23.0
169.01321	12.8
170.11060	0.5
172.02452	0.6
174.03998	0.6
175.00308	3.7
175.02356	0.9
182.00851	0.7
184.02428	10.9
186.03989	15.8
193.01306	2.7
194.09277	0.7
195.07651	0.8
196.02455	2.4
198.04016	8.7
210.00383	3.3
211.02406	0.9
226.03516	7.0
230.02975	1.3
238.89313	0.5
242.03027	5.5
256.09479	1.0
270.02573	27.9
271.02924	1.1
330.04684	100.0
331.06821	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25196	0.4
50.46112	0.3
57.03322	1.9
58.99451	0.4
59.00966	0.5
59.01243	7.2
63.96104	0.4
64.83820	0.8
64.84101	0.4
69.03300	1.4
70.41096	0.7
71.01228	0.4
71.04878	0.7
71.68539	0.3
74.28351	0.3
81.06947	0.6
82.83932	0.4
83.04861	0.6
85.01033	2.6
86.02322	4.8
93.06969	0.5
95.04850	0.4
97.06454	0.6
107.08464	0.4
109.06464	0.7
111.08026	0.7
115.02095	3.8
117.03658	1.0
119.08501	0.9
120.01114	19.9
126.10404	0.5
127.07532	1.2
131.05240	1.1
133.10115	2.9
135.11668	28.8
136.12006	1.3
147.11685	5.8
149.09569	0.5
165.12743	2.9
179.10672	2.6
181.10638	0.4
181.12135	0.5
191.10643	2.5
199.11543	2.8
209.11774	46.4
210.12143	2.0
211.13326	0.8
213.09496	0.5
225.09509	1.0
243.10585	45.5
244.10823	2.1
276.05255	0.4
330.13821	100.0
331.14178	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25195	0.5
56.40132	0.4
57.03319	2.2
59.00970	0.5
59.01244	7.5
63.96093	0.7
64.83792	0.7
64.84084	0.6
69.03299	1.1
70.41074	0.7
70.41425	0.5
71.01231	0.6
71.04875	0.9
73.00985	0.4
74.00534	0.4
75.59390	0.3
81.06956	0.6
83.04874	0.6
83.40534	0.3
85.01021	2.7
86.01833	0.5
86.02328	8.0
91.72807	0.3
97.06421	0.6
99.02704	0.3
106.18898	0.4
107.08508	0.7
109.58807	0.4
115.02096	4.1
117.03638	0.7
119.08542	0.8
119.97649	0.5
120.01117	21.3
127.07478	1.5
128.60542	0.5
131.05220	1.2
133.10092	3.7
135.07574	0.5
135.11671	32.7
136.11967	1.0
143.05240	0.6
147.11690	5.6
165.12727	3.4
179.10678	3.3
181.10524	0.7
181.12151	0.6
191.10699	3.1
199.11520	2.5
209.11774	52.1
210.12079	2.4
211.13306	0.9
225.09639	1.9
243.10583	54.3
244.10963	2.6
263.79886	0.4
321.58664	0.4
329.98328	1.0
330.13815	100.0
331.14105	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44751	0.8
59.01244	8.4
59.95523	0.9
65.28197	0.9
71.01244	1.0
72.00742	1.8
74.02329	35.0
99.60149	1.1
105.61226	1.2
112.07520	3.9
116.04940	19.8
117.05199	1.0
130.06520	3.0
130.08607	8.3
139.06252	4.4
141.10185	5.5
142.06487	4.2
143.11787	13.6
145.47505	1.0
155.11769	2.3
157.13359	1.9
159.09161	7.7
166.15717	1.0
169.09915	1.6
183.11314	8.3
201.12381	38.5
203.08220	17.2
204.01704	1.0
208.28897	1.3
252.16092	1.5
256.20218	2.0
271.20111	1.4
286.14871	2.9
286.19186	2.3
290.00604	1.2
300.19208	5.5
330.14227	4.7
330.18222	100.0
331.14926	1.2
331.18570	6.3
344.33646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0672
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.21587	0.3
53.79763	0.9
53.79995	0.4
57.03081	0.3
57.03319	5.1
57.49638	0.4
59.01223	0.4
60.76814	0.4
63.02243	0.3
65.00185	5.1
68.99671	0.3
71.01249	0.4
80.53643	0.3
81.03306	3.7
82.12978	0.3
83.01240	18.9
87.00721	0.3
91.72942	0.5
93.03303	0.8
95.04876	0.3
96.37740	0.5
97.02807	1.4
107.01250	11.8
108.01542	0.3
116.13582	0.3
121.02831	1.0
122.03581	1.0
123.00755	0.4
124.00249	0.3
124.01509	2.5
125.02312	57.5
125.06004	0.7
126.02673	0.9
128.03398	0.9
131.01248	1.2
137.02304	0.9
139.03868	1.2
149.02304	1.2
149.99451	0.5
151.00255	66.6
152.00623	2.2
161.04448	0.4
165.01807	1.0
167.03430	1.3
168.00533	3.6
169.01326	31.3
170.01701	0.6
175.00278	9.3
185.02742	0.4
193.01341	7.6
205.01425	1.1
211.02467	2.4
223.02428	0.5
235.02448	0.3
246.47218	0.4
269.69293	0.4
271.02869	0.4
313.05835	0.6
331.06738	100.0
331.22430	0.8
332.07089	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35290	0.3
58.99900	0.9
59.01242	100.0
59.02412	1.8
59.20963	0.2
60.01573	0.5
66.87699	0.2
69.25285	0.2
110.72583	0.2
112.77414	0.2
130.08612	23.1
130.12477	0.3
131.08963	0.6
140.07039	0.5
168.13841	0.4
185.24707	0.2
197.16541	1.8
212.12959	0.3
213.19693	2.1
217.41156	0.9
234.95392	0.2
257.18701	66.8
257.29349	0.6
258.19046	2.7
291.46249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1254
Annotation	Oglufanide
Peak:m/z	Relative Intensity
52.83059	0.4
58.02840	0.5
59.01235	1.1
66.03374	0.6
70.02836	0.7
72.00755	2.2
74.02333	9.9
76.90568	0.4
78.07809	0.5
78.38225	0.4
82.02838	2.2
83.02351	0.7
84.04397	2.2
85.03929	1.3
86.02339	0.9
101.07054	1.5
109.03927	2.0
112.03925	0.8
113.03448	0.9
113.07085	0.7
116.04922	19.7
117.05264	1.1
123.05518	1.9
127.04994	8.1
128.03407	100.0
128.07205	1.4
129.03729	1.8
130.06500	0.7
141.06592	7.3
142.06496	4.9
153.06631	0.6
159.09143	5.0
160.08665	2.3
167.04521	12.5
174.10222	0.6
185.05618	5.2
186.05591	1.0
203.08202	36.5
204.08562	1.7
250.07266	1.0
255.81221	0.5
270.12686	2.5
272.05325	1.4
294.14682	1.7
314.11496	14.7
315.11972	0.9
332.12521	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02332	0.3
52.92135	0.3
53.74471	0.3
54.35138	0.8
62.96272	0.3
73.01025	0.5
73.87156	0.3
78.93757	1.1
78.95758	100.0
78.97527	1.6
79.52943	0.4
82.76591	0.3
89.02303	1.1
96.96819	21.5
96.99255	0.4
108.16671	0.3
125.02238	0.5
127.00265	0.5
128.03406	0.9
148.72881	0.3
150.97920	1.0
151.00157	0.4
152.99472	76.9
153.99820	1.2
162.94307	0.4
165.40532	0.4
171.00531	8.6
188.74319	0.4
203.45421	0.3
223.00070	1.1
241.01160	41.1
242.01613	1.1
259.02307	2.1
299.89633	1.1
333.05936	98.3
334.06143	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0593
Annotation	GroPIns
Peak:m/z	Relative Intensity
50.09929	0.3
50.88162	0.3
54.35146	0.7
55.16354	0.2
55.77391	0.3
60.88198	0.3
62.96254	0.4
63.67899	0.3
69.07322	0.3
76.86005	0.3
78.93939	1.6
78.95762	98.4
78.97813	1.0
91.72694	0.3
96.95851	0.7
96.96820	19.8
97.97208	0.4
120.90260	0.3
125.02060	0.4
150.97914	1.0
152.94656	1.1
152.99477	75.5
153.99834	0.7
171.00551	8.8
186.73567	0.3
223.00081	0.9
241.01173	37.9
242.01472	0.7
259.02240	1.9
273.79480	0.4
299.90045	0.7
333.05954	100.0
334.06314	3.2
339.21268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76187	1.0
53.80323	1.0
54.79234	0.9
58.02837	0.9
59.01234	3.7
71.04882	14.2
74.02326	2.1
77.06162	1.2
78.95770	1.5
84.04400	1.5
85.02796	4.3
86.02326	15.8
102.98449	1.9
111.00777	1.5
117.03689	7.6
120.01112	13.0
127.05017	2.9
127.08654	13.1
128.03407	100.0
153.06584	4.8
163.77834	1.2
171.07651	34.1
215.06700	3.5
231.04399	7.7
249.05495	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90152	0.9
55.01736	1.1
58.99885	1.0
59.00143	1.6
59.01242	100.0
59.02453	1.6
59.51594	0.9
60.01590	0.9
61.98687	1.1
67.05393	7.9
69.03292	1.2
71.00869	1.9
71.01237	26.4
72.99168	2.2
73.02804	36.5
73.93976	1.0
83.01238	9.7
85.02796	6.6
87.00741	1.5
89.02296	12.0
95.01247	1.2
101.02303	33.1
111.04371	7.5
113.02303	8.7
117.51801	0.9
119.03369	3.6
125.02273	1.4
129.05438	3.1
131.03386	2.2
143.03391	2.3
149.04390	1.3
161.04489	7.6
165.17847	1.2
179.05548	2.0
247.11845	15.9
258.19003	1.4
291.10825	2.6
333.11923	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05027	1.5
51.22314	1.7
51.84016	1.8
52.32598	2.2
55.01743	6.6
57.03308	7.2
57.70332	1.7
59.01243	46.8
69.28155	1.8
71.01237	100.0
71.04876	9.0
72.99177	2.1
73.02808	32.2
75.00723	2.4
80.95711	2.0
83.01239	17.2
85.02803	50.9
85.03297	2.9
87.00743	4.8
89.02300	17.5
91.72794	2.1
93.97594	2.1
95.01252	9.1
95.05666	1.9
99.00750	12.3
101.01643	3.2
101.02306	58.8
113.02309	45.7
119.03353	5.4
125.02344	3.4
127.11169	31.2
142.93799	2.3
153.09085	8.4
158.08562	2.0
159.02858	3.6
161.04433	13.8
171.08713	4.6
171.10172	95.6
172.10417	2.9
177.33780	2.2
179.24112	2.2
189.27916	2.7
266.27008	2.3
289.08090	3.3
292.00284	2.3
297.06259	2.6
308.68304	2.9
333.15674	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
75.52548	1.2
89.77493	0.6
125.54618	0.6
135.04738	6.5
136.97205	1.5
157.10406	2.7
175.11559	3.8
177.04077	0.8
179.01955	4.9
191.05569	1.2
199.55867	0.8
217.07156	5.7
219.08766	3.2
231.02393	0.8
233.10301	8.1
259.11951	3.3
275.15073	100.0
276.15201	6.2
333.22894	65.2
334.23218	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49736	0.6
56.25288	0.7
57.03318	0.6
58.00452	1.1
59.01242	100.0
59.02431	1.6
66.99412	0.9
69.03294	1.1
71.01240	47.7
71.02847	0.7
72.01553	1.0
72.19462	0.6
72.75925	0.7
72.99162	1.9
73.02805	75.1
73.04468	1.2
74.03152	0.9
75.00757	0.7
83.01242	19.6
85.02796	6.8
85.06429	1.9
85.76603	0.7
87.00732	2.6
89.02298	22.9
91.72826	1.0
95.01250	1.5
97.02822	1.1
99.00739	1.8
101.02304	61.4
113.02315	15.3
113.05948	17.2
115.00344	0.9
116.41870	0.8
119.03369	7.6
125.02322	2.4
128.83159	0.7
131.03374	4.3
131.06978	6.5
137.72911	0.9
143.03392	3.6
149.04449	2.6
155.03403	1.4
161.04448	8.6
171.68202	0.8
175.19484	1.2
265.04788	1.2
275.11343	8.3
292.74734	0.8
293.12430	35.4
294.12872	1.6
335.13510	66.9
336.13876	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
57.03313	1.4
58.00468	0.7
58.99995	1.1
59.01242	80.3
59.02370	1.2
63.26571	0.5
65.93210	0.5
71.01238	39.2
72.99174	1.5
73.02394	1.1
73.02803	19.7
75.00740	0.6
78.26775	0.9
83.01243	7.0
85.02802	11.3
85.03290	0.6
85.06443	6.4
87.00724	3.3
89.02296	24.2
95.01227	2.8
99.00740	1.6
101.02302	30.8
113.02304	17.8
113.05942	15.6
119.03372	10.8
121.10136	0.7
122.00092	0.6
125.02365	0.9
131.07011	28.3
140.37917	0.6
143.03334	1.3
147.01305	0.7
161.04504	1.3
173.04517	0.6
175.19579	1.1
194.15437	1.0
275.11377	37.1
276.11703	1.9
293.12436	100.0
294.12924	3.5
310.69635	0.6
335.13504	86.5
336.13873	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64398	0.2
54.41512	0.2
56.31765	0.2
56.86141	0.3
59.01235	2.1
60.99162	1.3
66.25624	0.2
68.66433	0.3
68.69953	0.3
70.78717	0.3
71.01229	1.4
72.99155	0.8
73.02803	6.7
82.38377	0.3
85.57583	0.3
87.00732	13.9
88.98656	7.1
101.02309	0.3
113.99437	0.4
117.01801	28.6
118.02142	0.4
141.06987	0.5
147.00021	1.1
147.04402	100.0
147.09448	1.0
148.04755	3.6
174.01558	0.5
190.29950	0.4
249.30733	0.4
265.07202	10.1
265.09961	0.7
266.07550	0.5
277.05576	0.3
337.07715	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
56.56145	0.3
58.72191	0.4
58.92278	0.4
59.01234	1.4
68.99669	2.3
69.03320	0.7
71.01229	2.4
72.99120	0.4
73.02799	1.5
73.55108	0.3
75.00737	0.7
75.44062	0.4
83.01218	1.3
85.02816	4.7
85.67587	0.4
87.00732	2.6
89.02250	0.5
89.25539	0.3
95.01241	0.7
97.02787	0.4
99.00732	4.2
101.02312	1.6
103.57249	0.4
109.71198	0.3
111.00721	2.2
112.98675	0.4
113.02308	5.0
113.99451	17.3
114.00252	0.9
115.00240	7.3
118.33207	0.4
127.00269	2.5
129.01797	2.1
139.00282	0.9
141.01842	0.8
157.01317	4.6
163.58879	0.4
169.01315	0.9
174.01602	15.9
175.02319	1.4
263.76154	0.4
277.05643	18.7
278.05994	0.9
337.07785	100.0
338.08139	3.4
355.96982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.4
57.03329	0.6
57.96690	0.3
58.92289	0.7
59.01247	1.6
68.99671	2.7
71.01221	2.2
72.99177	0.5
73.02815	1.2
75.00732	0.7
76.21486	0.6
83.01236	1.5
85.01450	0.4
85.02811	5.4
87.00746	1.5
89.02285	0.6
89.48779	0.4
91.72887	0.7
91.73389	0.4
95.01269	0.8
96.99203	0.5
99.00734	4.6
101.02293	2.5
111.00736	2.0
113.02320	6.6
113.96338	0.5
113.99454	19.9
114.00265	1.0
115.00255	7.1
118.24023	0.4
127.00237	2.3
129.01807	2.7
139.00256	0.7
141.01782	0.8
151.28894	0.4
157.00175	0.6
157.01344	5.5
169.01353	0.8
174.01604	17.8
175.02380	1.7
207.26199	0.4
229.79039	0.4
277.05661	21.1
278.05920	1.0
303.09348	0.4
337.07785	100.0
338.08124	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58991	0.4
59.00080	2.0
59.01240	100.0
59.02555	1.2
60.01574	1.5
63.56380	0.9
68.56454	0.4
71.01245	2.2
73.02806	0.4
76.10971	0.5
83.61531	0.5
89.02310	1.6
90.19060	0.5
91.23102	0.4
99.00800	0.5
101.02317	1.0
105.19059	0.4
113.02316	0.9
113.99465	1.2
115.00237	1.0
160.08672	2.5
161.09094	2.1
174.01634	1.0
175.02388	0.6
182.24667	0.5
184.08778	1.3
185.09138	1.6
186.10320	2.3
187.10648	2.7
189.12328	0.6
198.10445	0.7
199.10474	0.6
203.10254	0.6
211.10622	0.5
216.11456	2.0
217.11731	2.4
217.59431	0.5
229.11713	0.8
256.13223	0.5
276.13718	1.5
277.05618	1.3
277.13708	3.9
309.58817	0.5
314.84708	0.5
337.07828	7.2
337.15054	2.4
344.15729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1611
Annotation	Aucherine
Peak:m/z	Relative Intensity
56.99545	2.1
58.02829	5.2
58.17282	2.1
59.01229	10.3
60.14977	2.0
70.62168	2.3
72.04437	2.5
82.02834	7.1
84.04398	7.7
90.70129	2.3
98.02346	2.7
98.21055	2.4
100.03896	3.1
100.07533	9.7
102.04792	5.4
102.05465	100.0
128.03412	97.3
135.11600	2.6
146.04494	15.1
147.11649	6.5
161.71225	2.5
191.10641	6.8
209.11789	29.4
210.14955	3.3
271.70544	2.7
276.16107	11.1
294.17120	9.9
299.30688	2.7
320.15033	17.0
324.42889	3.0
331.67902	3.1
338.16119	89.6
339.16327	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1611
Annotation	Aucherine
Peak:m/z	Relative Intensity
57.50551	2.0
58.02827	1.9
59.01245	10.8
62.88598	1.9
66.62646	2.0
74.02332	2.4
84.04399	8.2
91.72736	3.2
100.07510	8.0
101.99300	1.9
102.04793	4.4
102.05464	89.2
109.02785	3.4
125.02294	7.0
128.03401	100.0
129.03748	3.1
135.11684	3.2
146.04471	14.4
147.11668	7.2
155.60945	2.2
179.10687	2.4
191.10760	3.9
209.11748	20.7
276.16037	4.5
294.17126	4.9
320.14938	15.9
338.16089	80.0
339.16324	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19134	0.6
55.01766	0.8
59.00055	1.9
59.01241	100.0
62.10827	0.6
71.01247	5.4
73.02803	2.2
75.36260	0.6
83.01235	1.0
85.02798	4.5
92.91495	0.6
95.01239	0.8
101.02297	5.9
102.05428	1.2
113.02343	2.5
113.78492	0.6
130.66212	0.6
147.74451	0.6
161.04494	3.1
167.65791	0.7
297.13467	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1925
Annotation	bohemine
Peak:m/z	Relative Intensity
59.01240	7.2
60.74881	1.2
74.02315	2.6
80.25219	1.3
80.88592	1.1
82.02817	6.3
84.04413	7.6
85.02778	1.5
86.02351	2.5
101.07071	4.9
109.03902	7.8
109.44962	1.2
117.72233	1.1
118.28909	1.1
125.02344	1.6
127.04995	26.4
128.03398	37.0
128.04291	2.6
129.03709	1.3
135.04398	1.9
193.12318	2.4
193.19978	1.4
210.14949	16.4
277.19199	5.6
281.15341	1.5
321.18176	22.3
328.74817	1.6
339.19257	100.0
340.19531	4.1
341.26996	1.7
352.37335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
52.44883	0.2
56.80870	0.2
56.87895	0.6
56.88163	0.4
75.05315	0.2
95.54481	0.4
97.09843	0.2
122.68343	0.2
128.17122	0.2
147.08022	0.3
163.05577	1.0
163.11180	100.0
164.11499	2.8
183.01057	0.2
235.12057	0.2
270.67340	0.2
339.23300	48.0
340.23633	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	3.4
59.00972	3.2
59.01241	43.7
71.01237	22.4
74.02313	2.3
84.04398	9.1
85.02810	4.6
89.02312	32.0
89.18098	2.3
91.73331	3.3
100.07543	8.4
101.02325	12.9
102.05470	82.9
113.02320	9.0
119.03359	10.7
127.99201	2.8
128.03404	81.9
146.04477	13.0
156.74995	2.2
161.04437	4.4
179.05511	16.1
181.12222	4.0
188.34830	2.6
193.12242	7.2
211.13329	44.3
233.46782	2.7
239.38651	2.3
267.62869	2.5
296.18689	16.3
322.16678	16.7
325.69943	2.6
340.17673	100.0
341.10986	16.1
341.18002	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
52.88929	0.2
57.03361	0.2
58.00491	0.2
58.34764	0.2
59.00975	0.9
59.01302	10.1
59.02555	0.2
62.25977	0.2
71.01237	7.0
73.02835	0.3
83.01289	0.3
85.02792	1.2
87.00789	0.6
89.02297	11.1
93.03320	2.5
95.01283	0.4
96.85178	0.2
101.02303	4.0
107.04932	0.9
110.03944	0.2
113.02316	3.6
113.02979	0.3
114.05485	0.3
117.01109	0.2
117.01913	0.3
117.03416	0.3
119.03371	4.3
119.04950	0.6
127.72896	0.2
128.03444	0.3
130.08664	0.3
131.03409	0.6
133.02847	0.7
134.03619	4.1
135.04395	97.4
135.08690	1.1
136.04726	2.2
137.02332	2.5
143.03392	0.7
149.04433	0.4
161.04498	1.1
163.03880	0.8
167.80280	0.3
178.02626	0.4
179.03410	100.0
179.09891	1.1
180.03766	3.0
305.12082	0.3
341.08286	11.4
342.08749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
58.00451	0.1
59.01243	5.7
61.98700	0.3
63.71137	0.1
66.80579	0.1
71.01240	3.5
72.99177	0.1
73.02801	0.1
76.00134	0.1
83.01246	0.2
85.02798	0.6
87.00740	0.2
89.02299	4.8
89.03822	0.3
91.05374	0.3
93.03320	0.8
94.09924	0.1
95.01236	0.2
101.02296	1.9
102.19083	0.1
107.04887	1.4
109.02769	0.2
113.02330	1.5
117.03276	0.3
119.03380	1.8
128.03407	0.2
131.03355	0.3
134.02663	0.3
134.03622	4.1
134.04652	0.2
135.04393	100.0
135.08693	1.2
136.04732	2.4
137.02336	1.0
137.05986	0.3
143.03352	0.4
149.04457	0.2
161.04497	0.7
179.03407	87.3
179.09990	0.9
180.03749	2.8
341.08691	1.9
341.11081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55586	0.1
55.39243	0.1
57.03304	0.1
57.86601	0.1
59.00071	0.1
59.01242	3.0
59.54028	0.1
64.60832	0.1
65.03819	0.5
71.01241	2.0
73.02807	0.4
73.47970	0.2
78.29021	0.2
83.01253	0.2
85.02810	0.6
89.02295	1.0
91.73287	0.2
92.02569	0.2
93.00982	1.4
93.03316	99.3
93.05931	0.9
94.03647	2.1
95.01235	0.3
99.00740	0.2
101.02319	0.8
107.04897	0.2
113.02310	0.5
116.00441	0.1
119.03392	0.3
121.02822	0.5
136.01512	0.3
136.98175	1.2
137.02322	100.0
137.07018	0.7
138.02646	2.6
149.02333	0.2
149.04617	0.2
149.05806	0.2
151.03909	0.2
161.04411	0.2
179.03470	0.7
179.05544	0.4
296.64566	0.2
333.66116	0.2
341.08698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.72710	0.1
52.87462	0.2
59.01237	2.2
63.68785	0.1
71.01237	1.4
78.05108	0.1
87.00743	0.2
89.02296	2.5
101.02309	0.7
107.04897	1.0
107.52689	0.2
113.02308	0.6
117.03357	0.4
117.20820	0.2
119.03372	0.9
119.08379	0.2
134.03607	3.8
135.00365	1.2
135.04395	97.4
136.04729	2.1
178.97272	1.1
179.03409	100.0
180.03763	3.4
264.76984	0.2
341.08789	0.7
341.10995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03319	0.6
58.00447	0.4
59.01239	48.5
59.02432	1.0
60.01588	0.4
65.59326	0.5
71.01236	24.9
71.02847	0.4
72.54744	0.4
72.99178	1.1
73.02807	8.9
83.01231	2.7
85.02802	4.7
87.00731	1.2
89.02293	30.1
91.05347	0.5
93.03304	2.8
95.01237	1.2
99.00725	0.7
101.02300	16.8
107.04896	1.1
113.02300	12.0
119.03378	9.9
119.04882	9.7
131.03365	1.7
134.03604	4.0
135.04391	100.0
135.08505	1.1
136.04752	2.0
137.02316	2.3
137.05966	1.5
143.03336	2.5
143.11749	0.7
147.04395	1.6
149.04434	0.8
158.16716	0.6
160.42856	0.6
161.04453	5.0
162.61702	0.5
164.07092	1.3
179.03406	94.1
179.05457	7.3
180.02353	0.8
180.03694	3.9
192.36081	0.6
204.53253	0.5
281.10297	3.6
291.17145	9.5
292.17371	0.8
297.04208	0.8
299.11389	1.2
341.08713	8.0
341.11078	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.9
60.92338	0.1
65.80930	0.1
71.01241	2.0
73.02785	0.1
75.00706	0.1
81.03308	0.9
83.01238	0.1
85.02802	0.2
86.90207	0.1
89.02298	2.7
93.03320	1.4
95.04921	0.1
101.02299	1.2
106.04108	5.9
107.04899	1.8
108.02034	0.3
113.02314	0.9
119.03483	1.0
119.04890	6.6
120.05205	0.2
122.79186	0.1
124.82005	0.1
125.41174	0.1
131.03380	0.1
134.03624	0.6
135.00220	0.2
135.04398	14.0
136.04744	0.3
137.01720	1.1
137.05960	100.0
138.03134	0.2
138.06299	2.2
143.03374	0.2
149.04451	0.1
161.04434	0.3
179.03412	12.1
179.05450	0.8
180.03745	0.3
341.11292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.86206	0.4
59.01241	13.1
59.06768	0.2
60.01582	0.3
64.80283	0.2
71.01234	0.7
72.18882	0.2
75.86054	0.3
80.31850	0.2
81.03307	0.5
89.02304	0.8
93.03319	1.0
93.06985	0.6
95.04881	0.6
95.12804	0.2
101.02296	0.4
106.04089	0.4
107.04867	0.6
109.02034	0.4
109.02805	6.4
109.06451	3.1
115.60583	0.2
119.03453	0.2
119.04889	4.5
120.05244	0.7
121.02824	8.0
122.03646	1.2
128.03416	0.5
130.08597	0.3
131.54938	0.3
135.00810	0.4
135.04393	8.7
136.04767	0.3
137.05960	35.6
138.05315	0.4
138.06299	4.2
139.03880	3.9
139.06503	1.3
143.11900	0.3
163.00276	3.2
180.03770	0.3
180.97939	1.0
181.04977	100.0
181.11124	1.0
182.05272	2.8
261.50589	0.3
299.05682	0.5
307.14023	0.6
343.04453	0.6
343.10358	11.1
343.19516	0.3
344.10538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00643	0.3
56.68660	0.3
58.51678	0.4
58.99913	0.7
59.01241	100.0
59.02403	2.0
60.01590	0.6
63.57590	0.5
65.00183	1.3
71.01234	4.2
85.02809	0.7
89.02292	7.0
101.02287	2.0
107.01227	0.5
113.02325	1.7
119.03347	2.1
119.04902	1.1
121.02842	0.7
135.00766	0.5
148.01958	0.4
151.00272	0.7
161.04460	0.5
178.99760	3.5
179.05586	0.7
201.02478	0.5
201.09312	0.4
248.76653	0.4
271.06271	0.9
299.05505	2.4
343.05273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1704
Annotation	alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene
Peak:m/z	Relative Intensity
50.08423	0.7
51.90950	0.9
59.01229	2.4
78.85581	0.9
85.26290	1.0
106.04106	59.6
108.02021	1.2
119.04893	100.0
120.05224	2.4
121.02799	1.6
123.05839	1.0
128.07182	1.1
129.88792	0.9
138.03087	10.8
173.11798	1.2
184.91260	1.0
211.11229	51.2
212.11626	2.5
223.11234	17.1
267.94775	1.1
343.17044	98.4
344.17419	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49556	0.5
59.01243	15.3
60.01568	0.8
61.05378	0.5
71.01238	1.2
74.00540	1.3
74.02325	0.8
89.02288	1.2
102.05452	1.0
107.08569	0.7
112.96877	0.6
116.04928	1.2
119.97783	1.3
120.01117	100.0
121.01478	1.2
122.03630	1.0
128.03397	0.8
130.08650	2.9
131.08972	1.0
133.10139	0.9
135.11681	5.3
161.09650	0.9
179.10684	62.8
180.11015	2.0
223.09715	14.6
223.11874	0.8
224.10104	0.8
231.40193	0.7
244.74535	0.7
247.39095	0.6
343.24301	2.5
344.11874	1.9
344.19949	1.6
344.24368	1.2
360.32352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63386	0.5
55.64302	0.5
59.01241	8.2
60.90285	0.5
63.96096	0.5
81.19788	0.4
85.98080	0.8
95.71468	0.5
107.08522	0.9
111.09695	0.5
111.93429	0.6
120.01117	100.0
120.04532	1.3
121.01463	0.8
122.03624	1.0
125.48769	0.5
133.10139	0.7
135.11690	4.2
139.96078	0.6
161.09612	0.8
165.05444	0.7
177.09178	0.5
179.03735	0.6
179.10683	61.2
180.11035	2.6
223.09717	15.4
264.26355	0.6
344.11530	2.6
369.54459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65008	0.6
59.01243	31.7
67.42493	0.6
71.01241	29.3
71.01637	1.5
72.00761	13.0
72.99158	1.4
73.02792	0.7
73.55225	0.7
74.11058	0.7
75.97427	0.6
83.01241	0.9
85.02805	3.0
87.00720	1.0
87.30256	0.8
88.03905	2.1
89.02297	41.4
90.88741	0.7
91.05385	1.3
93.03305	1.0
95.63020	0.7
96.95853	2.8
101.02304	7.5
113.02299	7.6
113.03439	1.0
115.00229	1.4
119.03356	4.3
122.03615	6.0
123.04396	2.0
125.02386	1.0
128.03427	2.6
131.03349	1.7
135.04366	0.9
137.02309	1.0
139.03879	1.1
143.03349	2.1
147.04405	42.8
148.04698	1.7
149.04469	1.6
161.04436	4.4
164.07071	100.0
165.07385	3.4
179.05562	6.8
184.10867	0.9
228.17146	2.7
344.18283	2.0
345.08194	1.2
368.31870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.8
62.04592	0.5
63.80605	0.5
67.09933	0.7
67.69410	0.5
71.01231	0.8
72.00758	1.7
74.02328	38.1
85.86475	0.5
116.04922	22.7
116.05740	1.2
119.73839	0.5
120.01103	1.8
122.03607	1.6
124.03917	2.8
126.09119	4.2
130.06502	2.0
130.08626	0.7
142.06519	4.6
144.79471	0.6
153.07820	5.8
155.11797	4.4
157.13350	6.9
159.09175	8.2
161.04457	0.7
169.13364	3.1
171.14935	3.1
179.10684	1.5
183.14914	1.4
184.66029	0.6
186.05559	0.9
197.12895	7.5
203.08197	22.5
204.08575	0.8
215.13960	40.7
216.14351	1.0
223.09782	0.6
257.40674	1.0
300.20871	3.4
344.19812	100.0
345.20123	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45234	0.2
51.82763	0.2
57.26502	0.2
58.99930	1.4
59.01241	100.0
59.02419	2.0
60.01574	0.6
66.16515	0.2
75.17533	0.2
90.77427	0.2
118.42618	0.2
122.03625	0.3
130.04414	0.3
130.08612	26.6
130.12325	0.5
131.08968	0.6
132.44934	0.2
140.07056	0.5
140.56413	0.2
162.00233	0.2
167.11214	0.2
182.15436	0.4
184.70317	0.2
207.31023	0.7
211.18060	1.7
226.14458	0.5
227.21237	1.5
244.15471	0.3
246.49075	0.2
271.20282	63.4
271.31467	0.6
272.20593	2.7
311.60333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84028	0.3
58.99989	1.7
59.01242	100.0
59.02325	1.5
60.01581	0.7
61.71872	0.3
65.90224	0.3
71.01228	0.9
73.02783	0.5
75.38467	0.4
85.02825	0.4
91.73321	0.3
93.09730	0.3
101.02311	0.6
112.15184	0.3
113.02340	0.6
119.04908	0.6
121.02827	0.4
122.03603	3.1
123.04388	0.6
128.03464	0.4
130.08612	22.3
131.08907	0.4
133.55501	0.3
140.07048	0.6
159.02884	0.4
161.04424	0.9
163.04007	0.4
182.15424	0.5
207.31306	1.7
210.41325	0.4
211.18185	2.5
227.21167	1.9
231.52655	0.5
238.96210	0.4
271.20288	68.8
272.20673	3.3
345.15448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0558
Annotation	Adenosine monophosphate
Peak:m/z	Relative Intensity
59.01254	0.5
64.77898	0.2
65.53564	0.2
71.01240	0.5
75.00723	0.3
78.93965	1.8
78.95763	100.0
78.97865	0.8
79.07547	0.2
87.00757	0.5
88.03898	3.0
89.02286	0.6
96.00761	0.3
96.82016	0.3
96.94302	0.6
96.96822	27.3
96.99587	0.3
107.03512	0.8
115.00255	0.4
125.99795	0.3
127.05029	0.3
128.03412	8.8
134.04605	15.8
135.02896	0.5
135.04973	0.3
138.97929	1.4
150.97932	2.4
154.99716	1.1
155.08147	0.5
173.00832	1.7
175.02419	0.3
192.99039	1.1
199.07147	2.1
211.00073	3.1
217.08316	1.3
249.47488	0.3
279.42880	0.3
282.76273	0.2
289.39392	0.4
298.30203	0.3
328.11536	0.5
346.05600	27.7
346.12509	1.0
347.06030	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87589	0.4
55.01739	0.9
57.03315	1.1
59.01241	100.0
59.02421	1.8
60.29432	0.4
62.21321	0.5
69.03318	0.6
71.01238	24.1
72.99181	1.1
73.02802	21.3
75.00734	0.7
81.06962	2.6
83.01241	7.8
85.02799	8.2
86.74926	0.5
87.00745	1.0
89.02298	12.8
95.01233	1.3
96.95879	0.9
97.02806	0.7
99.00756	1.6
101.02303	28.7
113.02295	10.4
119.03353	4.8
125.02318	1.2
125.05947	4.1
131.03394	1.5
141.15076	0.6
143.03406	1.8
143.07001	1.0
155.03304	0.6
159.02931	1.4
161.04442	7.3
179.05527	1.4
206.18535	0.6
214.00284	0.9
214.41055	0.8
251.30548	0.6
261.13428	24.1
287.11404	1.6
305.12405	5.8
347.13486	27.9
348.13895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33552	1.0
55.01749	1.3
57.03313	5.3
59.01242	100.0
59.46112	1.1
60.01581	1.6
61.98701	1.7
69.03310	5.9
70.46130	1.1
71.01239	29.8
72.99123	1.4
73.02805	71.3
81.06964	5.1
83.01244	18.9
85.02806	4.1
86.65118	1.1
87.00720	1.9
89.02305	8.8
96.96860	1.3
97.02809	1.6
99.00780	2.1
101.02300	45.3
103.39170	1.3
108.12425	1.3
112.05057	1.1
113.02307	12.3
119.03395	3.1
124.67381	1.2
125.02351	3.9
125.05942	7.8
131.03354	3.0
132.19423	1.2
143.03386	4.2
143.07005	1.4
161.04497	9.1
180.55690	1.3
185.02174	2.1
201.00233	1.3
206.05550	1.2
261.13495	5.2
305.12381	4.2
333.13495	1.4
347.13513	38.2
348.13705	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.2
55.60466	0.1
57.03313	0.6
57.32824	0.2
58.48590	0.2
59.00158	1.3
59.01241	100.0
59.02493	1.6
60.01580	1.1
61.98696	0.9
71.01240	7.5
71.04893	0.3
72.99184	0.2
73.02796	2.5
73.15061	0.2
75.00725	0.2
83.01233	1.2
83.36550	0.2
85.02809	4.0
85.03300	0.3
87.00733	0.3
89.02319	0.7
95.01270	0.5
96.95918	0.3
97.02783	0.2
99.00742	1.1
101.02300	4.7
113.02311	2.9
113.09622	0.2
123.52145	0.2
125.02314	0.2
129.01869	0.2
130.08638	0.3
143.03407	0.2
143.10709	0.5
145.48013	0.2
159.02942	0.6
161.04463	2.1
202.86980	0.2
271.20322	0.3
272.20633	1.3
273.21106	0.5
305.15997	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
57.03324	0.5
59.00193	1.3
59.01242	100.0
59.02472	1.9
60.01570	1.2
61.01658	0.3
61.98690	2.0
62.64546	0.2
67.02439	0.2
70.57378	0.2
71.01237	5.0
71.04913	0.2
73.02808	2.2
79.12162	0.2
83.01237	1.0
85.02806	2.8
89.02304	0.4
99.00739	0.7
101.02290	3.6
111.11282	0.2
113.02309	2.7
119.03398	0.3
119.04877	0.3
125.02324	0.4
129.48840	0.2
130.08621	0.7
131.08961	0.5
143.10645	0.6
159.02873	0.4
161.04454	1.8
162.18164	0.2
185.02269	0.2
191.87616	0.2
259.29025	0.2
271.20236	0.8
272.20621	1.7
273.20895	1.1
305.16034	2.3
310.52029	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.7
59.00077	1.8
59.01242	100.0
59.02284	1.1
60.01577	0.5
63.33929	0.3
63.58305	0.3
71.01241	6.3
71.04898	0.3
73.02799	2.7
83.01237	1.5
85.02808	4.4
89.02314	0.8
90.65408	0.3
91.72691	0.4
93.33439	0.3
95.01268	0.6
99.00765	1.4
101.02309	5.2
113.02309	2.5
143.03432	0.4
143.10698	0.7
159.02890	0.3
161.04436	2.6
230.13716	0.4
232.23720	0.4
305.16061	4.9
305.19141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28057	2.9
52.87397	3.2
55.01742	2.9
55.81652	3.6
56.07153	3.6
59.01240	23.3
67.40762	3.1
71.01232	39.0
73.02805	17.0
74.74674	4.0
75.04583	3.3
78.76663	3.9
83.01244	5.3
85.02794	27.2
99.00800	4.7
101.02306	31.9
106.04130	9.3
107.04890	100.0
113.02294	21.7
118.45355	4.1
119.04906	4.7
128.03435	7.8
129.37132	4.0
136.48792	4.2
150.83087	3.9
151.03897	86.1
151.05046	8.4
159.02844	4.2
161.04437	37.1
296.17874	4.4
313.09317	15.6
349.06622	6.0
362.84378	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	55.7
59.02459	1.3
60.01572	1.4
61.01648	1.5
61.97510	1.6
61.98693	100.0
61.99984	1.3
62.98394	1.1
70.45138	0.9
71.00872	1.5
71.01234	19.2
72.99163	1.9
73.02805	16.4
83.01234	4.5
84.89056	1.0
85.02793	4.9
87.00745	2.3
89.02299	12.0
89.92205	0.9
95.01236	1.4
99.00728	1.8
99.07993	2.9
101.02302	18.2
106.38957	1.1
113.02300	9.4
119.03365	3.7
119.04961	1.0
125.02404	1.5
127.07504	7.6
129.13705	0.9
138.78816	0.9
145.08592	15.5
161.04465	1.5
166.67805	1.0
172.10855	1.7
185.12468	1.5
204.35066	1.7
274.21320	1.4
274.59299	1.0
289.12933	13.5
307.13995	44.4
308.14365	1.9
340.58051	1.2
349.15051	53.5
350.15811	2.0
353.25339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.2
58.00454	0.5
58.15312	0.4
58.99929	0.9
59.01243	80.8
59.02404	1.3
60.01576	0.9
60.58200	0.4
61.01678	0.4
61.97308	0.6
61.98694	49.7
61.99953	0.9
62.36050	0.5
62.98396	0.8
67.22995	0.4
69.03307	0.4
70.99560	0.4
71.01240	30.3
71.02764	0.6
72.99174	1.8
73.02808	19.1
73.04401	0.4
75.00706	0.5
81.78283	0.9
81.78719	0.5
83.01240	5.7
85.02295	0.7
85.02804	8.9
87.00726	2.9
89.02299	22.1
91.72757	0.7
95.01258	1.9
97.02826	0.7
98.86887	0.4
99.00754	1.8
99.08005	2.9
101.02304	29.0
101.04911	0.5
102.02649	0.6
113.02309	14.1
119.03375	7.9
123.24630	0.6
125.02338	0.6
127.07525	18.6
128.20688	0.4
131.03380	0.9
143.06975	0.6
145.08588	29.2
149.04425	0.5
161.04463	1.1
169.08617	0.7
170.16910	1.0
178.99556	0.4
180.90839	0.5
187.05885	0.7
187.09660	0.6
204.35118	0.5
248.60362	0.5
289.12943	24.5
290.13202	1.1
307.14008	92.9
308.14343	2.9
312.59161	0.5
349.15063	100.0
350.15329	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.8
59.00011	1.7
59.01243	100.0
59.02336	1.1
60.01579	0.7
61.98724	0.6
69.03313	1.7
71.01240	40.5
72.99165	1.0
73.01116	1.4
73.02805	89.0
75.00737	0.9
76.63448	0.5
78.59200	0.5
81.03320	0.7
83.01241	20.7
85.02808	3.3
87.00748	1.0
89.02303	7.3
95.03567	0.6
97.02808	1.0
97.47047	0.4
99.00732	1.1
100.99538	0.7
101.02306	56.0
102.02649	0.6
102.05449	0.5
113.02299	9.3
116.97102	0.9
119.03354	2.5
125.02301	1.9
127.07521	60.0
128.07860	1.0
131.03386	4.1
143.03387	3.5
149.04436	3.7
155.03377	2.5
161.04448	8.7
176.10588	0.8
184.01329	0.5
221.06451	0.8
227.19838	0.5
254.26013	0.5
298.39578	0.6
307.17294	0.6
311.35660	0.5
349.15143	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46282	0.4
57.03320	0.4
59.00085	1.7
59.01244	100.0
59.02557	1.0
60.01583	0.9
63.57258	0.8
63.75577	0.4
71.01237	5.3
73.02810	2.6
75.00750	0.4
82.24364	0.4
83.01257	1.6
85.02805	3.6
87.00739	0.8
89.02309	0.5
99.00735	1.2
101.02310	5.1
113.02307	2.4
127.06523	0.4
159.02892	0.5
161.04486	2.5
267.46637	0.4
289.16449	0.5
307.17636	5.1
307.20801	0.5
308.18216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
58.99931	1.4
59.01242	100.0
59.02375	1.7
60.01569	0.5
61.62633	0.3
62.27350	0.3
63.57484	0.4
65.23180	0.3
69.03313	0.5
71.01238	7.9
72.99164	0.5
73.02805	10.4
73.03202	0.6
75.00728	0.5
83.01238	2.1
84.80469	0.3
85.02806	3.2
87.00730	0.4
89.02308	0.8
95.01242	0.6
97.02847	0.4
99.00761	0.8
101.02306	7.6
101.05941	6.2
106.62312	0.3
113.02328	2.9
115.07511	1.9
120.78082	0.3
125.02365	0.6
135.44463	0.3
143.03395	0.4
143.07069	1.5
161.04463	1.8
169.20079	0.3
246.53349	0.4
305.17667	0.4
307.17664	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19967	0.1
55.01768	0.2
57.03314	0.4
58.99931	1.3
59.01243	100.0
59.02416	1.9
60.01582	0.6
66.79250	0.1
69.03288	0.2
71.01240	4.2
72.15039	0.2
73.02805	2.2
75.00740	0.3
78.29027	0.1
83.01240	1.2
85.02799	2.7
87.00726	0.3
89.02322	0.6
95.01266	0.4
97.02834	0.2
99.00723	0.9
101.02307	4.7
101.02954	0.3
111.00762	0.3
111.55207	0.1
113.02320	1.6
118.89799	0.1
119.74706	0.1
121.70103	0.1
125.09625	0.2
128.03409	0.2
129.01787	0.1
139.89143	0.1
145.12321	0.2
159.02930	0.4
161.04466	1.5
175.06335	0.1
181.42462	0.2
187.09660	0.3
259.46515	0.2
289.16623	0.3
307.17657	4.9
308.18149	0.3
349.19171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74655	0.5
59.00000	1.5
59.01242	100.0
59.02370	1.6
61.98692	0.8
63.57797	1.1
68.45387	0.6
71.01238	3.3
73.02817	1.1
80.40791	0.6
85.02818	1.3
88.67740	0.6
101.02307	1.6
113.02238	1.5
135.04434	0.7
161.04500	1.8
190.97818	1.0
289.16586	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74043	0.2
53.56261	0.2
53.95573	0.2
59.01242	0.9
59.94421	0.2
60.96720	0.2
61.97320	1.5
61.98692	100.0
61.99881	1.7
63.63776	0.2
64.80521	0.2
65.00186	0.4
69.48922	0.2
75.46868	0.2
78.39436	0.3
85.35972	0.2
91.72821	0.4
95.06178	0.2
107.01260	0.5
125.45701	0.3
135.04382	2.4
135.05203	0.3
151.00266	2.7
192.95824	0.4
287.05630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64037	0.3
59.01241	2.7
60.97412	0.5
61.98687	0.3
71.01255	0.7
72.00249	0.5
72.97388	2.2
73.02771	0.5
79.30187	0.3
85.02803	0.7
86.02332	9.9
86.31622	0.3
89.02299	0.6
90.96331	1.2
90.98448	100.0
91.00873	1.2
91.29864	0.3
95.10397	0.3
113.02280	0.4
116.01631	1.4
130.08650	0.7
132.16235	0.3
149.09622	0.6
155.40942	0.4
157.10397	0.6
167.10674	20.9
168.11040	0.5
171.10153	4.4
172.10605	0.5
175.02426	0.4
178.01717	11.1
183.08409	3.6
185.11743	4.7
201.09483	54.3
202.09880	2.0
219.10547	13.2
220.10765	0.4
222.59319	0.4
245.08514	22.5
246.08739	0.8
263.09592	33.0
264.09912	1.1
265.77350	0.3
288.12723	8.6
289.12854	1.3
290.13315	1.0
306.13766	3.3
308.14279	0.7
314.10400	0.5
332.11710	5.3
349.15292	0.6
350.12729	14.9
351.13428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38583	0.5
53.52714	0.6
56.84259	0.7
57.03289	0.6
58.00448	1.5
59.00116	1.5
59.01243	86.8
59.02487	1.2
60.01560	0.8
61.98697	1.0
66.19190	0.6
67.61288	0.6
70.99754	0.9
71.01241	48.5
71.02891	0.6
72.99168	1.3
73.02820	1.4
83.01228	0.9
85.00842	1.5
85.02807	100.0
86.03136	1.3
87.00735	2.3
89.02299	79.3
89.04621	1.0
90.02695	0.7
95.01240	2.3
98.92808	0.7
100.99809	0.7
101.01642	1.4
101.02305	28.3
103.03867	8.1
113.02307	24.2
113.03094	1.2
113.05714	0.7
117.94400	0.7
119.00199	0.7
119.03373	32.3
125.19188	0.6
131.03375	3.0
143.03386	6.0
145.58662	0.7
149.04434	2.3
161.04453	7.0
171.06580	5.0
179.05530	25.0
217.96953	0.6
218.87254	0.6
265.09308	33.9
266.09723	1.2
345.91101	0.9
351.13120	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00076	2.0
59.01242	100.0
59.02582	1.1
60.01577	0.8
60.27609	0.2
60.58945	0.2
61.01665	0.2
61.04455	0.2
68.55596	0.2
71.01248	0.3
75.42478	0.2
81.34947	0.2
95.73910	0.2
101.02309	0.2
116.94810	0.2
157.61180	0.2
165.82994	0.2
180.15794	0.2
192.95854	0.6
220.22789	0.2
249.13564	0.3
321.77774	0.2
351.14816	0.2
353.02432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22210	0.2
56.59208	0.2
59.00143	1.6
59.01242	100.0
59.02512	1.6
60.01576	0.7
61.01662	0.2
65.85085	0.2
71.01249	0.7
77.62448	0.2
78.12646	0.2
83.07518	0.2
85.02804	0.4
86.12431	0.2
90.72550	0.2
91.56756	0.2
101.02321	0.6
109.40535	0.2
113.02338	0.3
120.01116	0.2
153.96931	0.2
192.95813	0.4
212.73357	0.2
249.13548	0.7
305.74536	0.2
351.14728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50274	0.4
58.02838	4.5
59.00969	0.6
59.01243	7.3
62.86330	0.4
74.02325	1.4
82.02842	1.1
84.04402	7.1
84.06482	0.4
85.02806	0.8
91.73286	0.5
100.03888	1.0
100.07538	10.7
102.05465	81.8
102.08170	1.0
103.05806	0.7
106.04090	0.5
107.08504	0.8
118.57899	0.4
128.03403	100.0
128.07205	1.0
128.41786	0.4
129.03729	1.2
135.11684	3.1
135.13832	0.4
145.06480	0.4
146.04475	15.8
159.08136	0.5
161.09689	2.2
179.10684	28.5
179.16908	0.6
180.11012	0.9
218.96692	0.5
223.09694	0.6
264.13330	0.8
264.16058	10.7
264.18857	0.6
290.13980	13.5
291.14081	0.6
301.98087	0.5
308.15036	44.2
309.15359	2.1
334.12918	0.9
351.21814	0.5
352.14017	12.6
352.21939	0.9
353.14102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02844	4.3
59.00969	0.5
59.01244	5.9
59.01521	0.6
71.01234	0.4
74.02333	1.7
82.02837	0.6
83.04858	0.6
84.04402	6.7
85.02794	0.8
98.00487	0.3
100.03892	1.1
100.06889	0.5
100.07539	8.1
101.02282	0.3
102.02852	1.4
102.05469	93.9
103.05814	1.0
106.04105	1.1
107.04907	0.4
107.08525	0.6
113.02589	0.3
127.99699	1.2
128.03409	100.0
128.07607	0.8
129.03729	1.4
135.11673	3.0
146.04478	47.1
146.09450	0.5
147.04834	0.5
148.17813	0.4
159.07997	0.4
161.09654	3.5
165.53477	0.3
178.12213	0.5
179.10690	25.6
180.11093	1.0
205.08719	0.4
223.09741	1.4
239.10695	0.3
264.16083	8.6
264.18869	0.6
290.14005	9.8
308.15060	33.2
309.15295	1.7
334.12955	1.0
352.14050	21.3
353.14389	1.3
354.67892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	0.6
59.39309	0.1
60.99173	0.8
69.54970	0.2
71.01237	1.0
72.99160	0.7
73.02805	5.6
73.03201	0.3
75.00730	2.0
87.00732	9.1
88.98661	6.5
89.02320	0.3
93.03327	0.7
115.37973	0.2
117.01804	13.9
119.01440	0.7
119.04895	48.6
120.05260	1.1
135.01830	0.4
135.02872	9.3
145.02817	1.1
162.98592	1.1
163.03908	100.0
164.04230	2.7
177.05496	0.5
193.49487	0.2
194.90585	0.2
207.01430	0.5
225.90125	0.2
279.50754	0.2
281.06689	8.5
282.07071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.4
68.07277	0.2
71.01234	0.5
73.02792	0.4
74.62524	0.2
91.73302	0.2
93.03341	0.2
95.80169	0.2
101.02295	0.2
133.06454	3.0
149.04927	1.2
149.09610	100.0
150.09961	2.2
152.91646	0.4
153.32292	0.2
173.04498	0.2
185.12012	0.3
194.92760	0.4
194.95511	0.7
310.90768	0.3
352.91702	0.3
353.14670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
55.14624	0.2
57.82179	0.3
59.01231	0.3
59.02758	0.1
59.25542	0.1
60.69854	0.2
63.79639	0.2
71.01246	0.1
73.02766	0.2
77.81420	0.1
79.95616	0.2
83.29355	0.2
89.02299	0.2
89.61539	0.1
90.02653	0.1
93.03297	0.3
93.78025	0.2
94.54944	0.1
96.95853	0.8
107.04879	0.4
111.04401	0.2
147.08026	0.4
161.06021	0.3
162.06755	0.2
163.11176	99.9
163.16489	1.2
164.11508	3.1
173.04424	0.6
177.09113	76.8
177.15189	1.0
178.09442	2.6
190.09972	0.6
194.05766	0.1
222.08870	0.6
222.68115	0.2
240.80952	0.1
338.19101	0.2
353.21228	100.0
354.21570	7.5
354.26038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06229	0.1
59.01239	0.5
77.65400	0.1
107.03638	1.3
107.04893	0.2
108.01524	1.4
108.04411	100.0
109.04068	0.2
109.04749	1.8
110.76024	0.1
125.81625	0.1
128.03450	0.1
132.04431	0.4
149.05954	0.2
150.00807	0.8
150.05492	64.5
151.03905	1.9
151.05840	1.6
163.99370	0.1
203.42464	0.1
227.45389	0.1
276.47992	0.1
319.14081	0.1
355.10638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43141	0.4
57.03321	0.5
57.52230	0.4
59.00093	0.5
59.01243	23.8
71.01241	5.7
73.02806	3.4
80.24550	0.4
82.95252	1.8
83.01243	1.2
85.02814	3.1
85.86175	0.4
93.03304	0.8
95.04848	0.4
97.02825	0.5
101.02313	2.7
106.04124	4.0
107.02117	1.2
107.04888	100.0
108.02047	0.6
108.05224	2.0
113.02309	1.9
114.05497	0.5
123.04411	1.0
149.06001	0.5
150.03098	0.5
151.03900	18.8
155.36345	0.4
161.04456	1.6
161.06058	0.7
179.21884	0.5
295.08228	2.5
313.09314	3.9
355.10574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90133	0.1
56.94572	0.2
57.57362	0.1
59.01237	1.1
59.59162	0.2
63.37127	0.2
73.02826	0.2
75.43138	0.2
79.54839	0.2
80.02566	0.1
85.02802	0.3
86.77223	0.2
90.17335	0.2
91.16888	0.2
93.03306	0.3
98.94066	0.2
102.25995	0.2
106.04119	0.6
107.04881	1.1
108.02077	0.2
109.02826	0.4
111.00708	0.3
119.04910	0.3
121.02837	1.3
128.03381	0.5
131.06946	0.2
133.02829	1.9
134.03610	72.5
134.07590	1.0
135.03906	1.8
137.02325	6.8
139.03876	2.2
149.02286	0.6
149.05968	18.3
149.10822	0.2
150.03059	1.5
150.06302	0.5
151.03903	8.5
152.04247	0.4
159.04410	0.3
178.02628	36.4
179.03015	0.7
193.04988	100.0
193.11841	1.2
194.05334	2.9
203.03424	0.3
227.14000	0.4
295.08127	1.1
313.09293	0.2
355.10696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13100	0.1
59.01234	0.8
63.49872	0.1
78.56043	0.1
85.36298	0.1
91.39968	0.1
95.01241	0.1
108.02011	1.3
108.04414	2.3
109.02814	4.2
109.04746	0.8
111.00713	0.3
122.03613	0.1
123.00725	0.8
124.01534	0.7
136.01544	0.4
147.13875	0.1
150.03123	1.0
150.05504	1.4
150.06647	0.1
150.98799	1.0
151.03897	100.0
152.04242	2.1
175.03894	0.1
193.05090	0.2
197.26830	0.1
265.48941	0.1
295.08221	0.1
313.09265	0.2
355.10370	4.8
356.10632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1951
Annotation	Lehualide I
Peak:m/z	Relative Intensity
52.26773	0.2
56.48149	0.1
59.01224	0.6
62.01885	0.5
62.02207	0.3
78.85489	0.2
79.95565	1.1
101.02296	0.1
113.43448	0.2
119.04906	1.8
137.56599	0.5
141.12616	0.2
157.76286	0.2
161.66571	0.2
170.00316	1.2
171.08913	0.2
182.94577	0.5
183.01128	49.9
184.01863	3.7
191.79889	0.2
197.02747	0.9
211.04268	0.2
212.05017	0.4
216.00954	1.2
225.05858	0.6
239.07478	1.0
253.09067	0.2
291.23410	0.3
355.19513	100.0
356.19788	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.228
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.81724	0.7
56.94746	0.6
57.95660	0.8
59.01164	0.9
59.75832	0.9
60.15188	1.0
86.90073	0.9
87.46249	0.7
100.07173	0.8
101.05780	1.4
107.04782	1.2
109.02677	0.9
122.03442	9.4
127.07401	0.8
135.04393	23.8
140.78104	0.8
147.07860	3.6
149.05783	2.3
149.09590	8.4
151.07405	1.3
154.02592	1.1
161.09608	10.2
163.07381	3.4
163.11183	57.5
164.08337	19.7
164.11327	1.6
165.09109	4.2
177.09120	78.2
178.09903	21.9
179.10683	93.6
179.12213	2.9
179.12952	2.4
179.17511	0.9
180.10837	2.3
187.11084	1.4
191.10707	12.6
193.08632	3.8
199.00522	1.2
211.09467	0.8
241.15404	0.9
265.12323	1.9
280.14612	3.8
298.15744	49.0
299.16119	2.8
299.93628	0.8
307.17084	2.4
309.22345	1.9
321.18561	1.7
337.21744	58.8
338.22165	4.0
340.20441	100.0
341.20819	7.1
355.22827	83.5
356.23193	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	1.4
79.95580	2.4
90.22127	0.5
91.01743	0.6
96.93287	1.3
96.95866	89.5
108.02024	4.6
108.99698	1.3
109.02811	81.6
110.03133	1.5
112.06987	0.4
128.03395	2.9
130.08630	2.2
133.25804	0.7
145.04951	1.2
150.06764	3.1
152.01070	0.9
152.96725	1.2
153.01819	100.0
154.02126	2.2
183.99208	3.9
214.03943	1.2
216.01859	0.9
226.00255	1.6
241.12169	0.8
259.13055	1.8
268.99863	0.5
297.07678	3.4
315.08832	0.8
339.08661	2.2
357.09799	8.9
371.24142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0977
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
57.41994	0.1
59.01231	0.5
63.89453	0.2
67.17118	0.2
72.00759	0.4
74.02287	0.2
75.40510	0.2
78.95770	0.3
79.95592	2.4
85.03699	0.2
90.97015	0.2
96.93273	1.5
96.95869	100.0
96.98112	1.0
108.02032	0.2
109.02817	3.8
113.92511	0.2
128.03401	3.4
128.89851	0.2
129.03702	0.2
130.08604	2.2
135.04382	0.3
141.98206	0.2
145.05029	0.2
151.03975	0.3
151.08633	0.3
153.01833	4.4
183.99184	2.0
197.12982	0.2
198.97942	0.3
214.03885	1.0
216.01781	0.2
223.10828	0.4
226.00305	1.1
241.11972	0.5
259.12967	1.7
297.07721	2.2
299.04568	0.2
315.08789	0.6
321.07822	0.3
339.08734	1.8
357.09842	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Synargentolide D
Peak:m/z	Relative Intensity
51.75425	1.0
53.43213	1.1
56.09826	0.9
57.03318	1.0
58.00455	1.2
58.14521	0.9
58.99901	1.0
59.01241	94.1
59.02421	1.5
60.01572	1.1
62.64320	1.0
69.03314	1.5
71.01238	43.8
71.49352	0.9
72.99169	2.1
73.02805	71.0
73.04448	1.1
74.02306	2.0
75.00723	1.9
75.61322	1.2
83.01235	17.5
83.01695	1.6
85.02805	9.8
87.00706	2.0
89.02303	23.3
95.01256	1.8
98.02341	1.9
99.00739	2.6
101.02304	48.2
107.04887	1.9
113.02319	17.4
116.21772	1.1
119.03354	8.6
123.04381	15.7
125.02303	2.6
127.78645	1.1
128.03450	1.1
130.08569	1.4
130.98846	1.0
131.03386	2.8
133.02887	1.4
134.03552	1.7
135.04395	100.0
135.08502	1.3
137.84712	1.0
143.03401	2.6
150.31383	1.1
151.03879	2.1
152.32048	1.2
153.01935	1.8
153.05476	16.7
155.03413	1.5
157.13333	8.4
161.04451	3.5
179.05566	1.5
199.58231	1.2
208.49586	1.5
269.11575	1.8
297.09805	33.4
298.10336	1.6
315.10876	86.1
316.11154	4.1
339.41034	1.4
357.07559	2.2
357.11948	40.2
358.12280	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61712	0.8
59.01242	100.0
59.02439	1.4
61.98692	30.7
65.37469	0.8
71.01257	5.4
73.02794	5.3
73.03944	0.8
75.27849	0.9
83.01230	1.9
83.40963	0.8
85.02765	1.0
86.30708	0.9
87.05496	1.0
89.02325	1.5
89.50356	0.9
91.05358	0.9
93.03312	15.1
96.00751	0.9
96.95892	1.1
101.02289	3.8
107.04896	1.1
109.06438	3.5
128.03387	3.1
129.10226	1.0
130.08621	3.6
135.04375	3.1
151.03900	1.1
157.13341	1.9
161.04396	1.6
164.49672	1.1
175.91774	1.0
192.95908	1.0
203.05655	1.0
267.23087	1.1
305.14261	1.2
319.14114	1.6
321.74664	1.1
356.21979	2.1
357.21887	4.0
358.16171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76411	0.2
59.01239	1.3
71.01248	0.2
81.03297	0.3
89.89934	0.2
93.03326	0.5
93.94256	0.2
95.01205	0.3
95.04884	1.0
96.95888	0.3
108.02000	0.4
109.02828	0.2
121.02827	0.3
122.03594	1.3
123.01008	1.0
123.04385	81.7
123.08301	0.9
124.04722	1.6
130.19696	0.2
133.06461	0.3
134.04596	1.7
135.04349	0.8
135.05148	0.3
150.02867	0.2
150.13190	0.2
151.03886	2.8
152.04146	0.2
153.00748	1.1
153.05458	100.0
153.10872	1.0
154.05792	2.6
157.13322	0.7
195.54506	0.2
242.97647	0.2
258.55621	0.3
275.11826	0.2
297.09454	0.2
305.24304	0.2
335.58292	0.2
357.07977	0.4
357.11920	1.1
357.21848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50388	0.6
59.01241	100.0
59.02443	1.7
59.75254	0.6
62.61699	0.7
65.71819	0.7
69.03321	0.9
70.12946	0.9
71.00873	1.2
71.01238	14.5
73.02801	19.0
73.04466	0.7
79.02122	0.7
80.02510	0.8
81.03308	0.8
83.01219	4.1
85.02805	3.4
86.85966	0.7
87.00731	0.9
89.02291	3.2
91.05373	4.9
93.03308	5.5
97.87342	0.7
99.00738	1.9
101.02301	14.9
107.04897	2.6
109.06450	42.5
110.06785	1.2
113.02299	5.1
119.03397	0.9
125.02328	1.0
126.49107	0.8
135.04401	2.3
136.00468	0.9
138.03214	0.8
143.03383	1.1
152.04662	0.8
153.05449	5.2
157.13371	1.1
161.04472	4.9
191.07909	0.8
203.05495	4.1
243.16949	0.9
304.64554	0.8
320.99170	0.8
357.11987	3.0
357.20392	1.4
370.46912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96092	0.4
59.00240	0.3
59.01240	5.3
61.98690	0.4
71.01243	2.1
85.02803	1.1
89.02304	0.7
92.57556	0.3
101.02266	0.6
104.83251	0.3
108.08052	100.0
108.11007	1.3
109.08396	1.8
110.68488	0.3
113.02316	1.8
120.08070	1.4
124.03914	0.6
128.03452	0.3
130.06506	0.3
132.08069	2.0
134.05978	0.8
134.35458	0.4
136.07596	0.4
148.07561	2.8
152.07063	68.6
153.07387	1.6
164.07072	0.8
166.08641	16.9
167.09073	0.5
176.07114	1.1
178.99977	0.5
194.08163	9.2
196.06088	55.0
197.06419	1.3
204.22992	0.3
212.64957	0.4
238.07193	10.2
251.94597	0.3
259.25653	0.3
268.08051	0.4
298.09366	4.2
314.03809	0.6
355.12433	0.4
358.11508	6.0
371.16751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0987
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.54194	0.5
51.64679	0.5
54.17045	0.5
56.20703	0.6
59.00050	0.5
59.01244	19.0
63.29540	0.5
67.38882	0.5
71.01237	1.9
73.02807	0.6
85.02802	1.3
89.02286	1.0
95.01227	3.0
96.95857	0.8
97.02802	0.8
101.02296	1.4
103.32642	0.7
105.94817	0.6
107.04942	0.6
108.02041	0.6
109.02834	0.6
113.02316	0.9
123.00748	45.6
123.57896	0.6
124.01139	0.6
136.09402	0.6
137.02367	1.4
137.05963	9.2
138.03107	59.9
139.03427	0.7
140.05576	0.6
153.01874	0.7
153.05464	19.9
161.04414	1.7
166.99759	11.5
182.02124	39.7
183.02464	0.9
197.04488	100.0
198.04788	2.1
239.05513	0.8
308.92245	0.7
359.09781	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Junipediol A 8-glucoside
Peak:m/z	Relative Intensity
50.38646	0.8
57.03315	1.0
59.00098	1.9
59.01242	100.0
59.02505	1.8
59.37846	0.7
61.98690	1.2
63.58253	0.9
69.03332	0.9
71.01237	27.5
72.99171	1.4
73.02808	19.8
77.52412	0.7
83.01248	6.8
85.02817	6.9
87.00749	2.0
89.02303	26.2
90.50161	0.7
95.01230	1.8
99.00758	1.2
101.02300	26.3
107.56317	0.7
113.02305	12.6
118.06009	0.8
119.03373	12.1
119.04943	0.8
125.02321	1.3
131.03433	2.3
137.05984	2.7
143.03377	2.6
149.04430	1.6
161.04451	6.1
174.99211	0.9
175.02333	1.3
179.05522	5.2
217.00241	1.6
222.48570	0.9
273.13309	2.3
285.03836	0.9
299.11423	2.5
317.12460	2.8
359.13507	25.2
360.13919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11441	0.7
55.01748	1.3
57.03324	0.8
59.00051	1.7
59.01242	100.0
59.02558	1.4
60.01562	0.8
71.00877	1.6
71.01243	25.4
72.99164	15.8
73.02805	29.4
74.02309	1.4
75.00716	0.9
83.01241	4.7
85.02808	7.4
87.00732	1.1
89.02291	10.7
93.06947	4.4
95.01248	1.3
99.00716	2.0
101.02299	25.2
111.08018	1.4
113.02324	9.5
118.43175	1.0
119.03351	3.6
119.04901	1.3
125.02330	1.0
128.03371	2.0
130.08617	9.3
135.04369	1.5
137.05919	4.3
141.01498	1.3
141.93161	1.1
143.03365	1.4
149.04428	0.9
161.04459	7.3
163.50346	0.9
175.02338	1.3
217.00233	1.1
235.11830	1.3
271.20300	28.3
272.20691	2.0
273.13419	6.8
285.18149	1.6
299.11536	1.2
323.03500	1.2
359.13562	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67953	0.9
55.01745	1.1
57.03316	1.2
58.25299	0.9
59.01244	100.0
59.02405	1.7
60.01578	1.3
67.01717	1.0
68.88168	1.0
71.01241	23.2
72.99163	17.2
73.02806	26.7
74.02324	1.9
74.03133	1.3
83.01228	5.9
85.02802	8.4
87.00740	1.4
89.02306	9.4
93.06966	2.9
95.01263	1.9
99.00736	1.6
101.02307	24.3
113.02311	12.0
119.03351	4.1
128.03371	2.9
130.01341	1.1
130.08617	10.5
131.03371	1.1
137.05960	4.1
141.01518	1.3
143.03391	1.7
161.04428	7.0
166.13623	1.2
199.79648	1.2
271.20294	36.5
272.20581	2.2
273.13480	6.5
285.18137	2.0
299.11273	1.5
321.15582	1.3
359.13568	3.9
359.20251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18006	0.6
59.01243	24.0
63.98883	0.7
67.42542	0.6
70.86858	0.6
77.98611	0.8
91.73402	1.6
203.41287	1.1
277.21725	100.0
278.22052	4.8
345.99164	0.8
349.84442	0.8
359.22021	16.7
360.22525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42265	0.6
59.01238	4.0
72.99165	30.6
74.98971	0.8
75.00729	50.8
83.48689	0.6
104.49014	0.6
109.62822	0.7
120.08201	0.8
126.79362	0.7
165.09189	0.8
167.68095	0.6
174.99187	1.1
177.68959	0.7
194.92676	1.6
194.95499	1.6
201.02443	0.9
201.91798	0.9
213.72495	0.7
217.00275	5.0
217.96680	0.7
254.30937	1.6
276.93240	0.9
333.82053	0.8
351.30042	0.8
359.28061	100.0
360.28354	6.0
379.17459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	6.3
71.01269	4.4
72.99177	3.1
75.00751	4.3
116.07043	4.8
119.04894	80.5
128.03433	8.5
135.02875	23.3
141.73581	3.2
147.41684	3.4
163.03906	100.0
163.05141	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42986	0.4
51.84380	0.5
54.30374	0.4
55.01750	0.8
57.03318	1.7
58.00459	0.8
59.00024	1.9
59.01243	100.0
60.01578	1.2
61.01667	0.6
69.03310	0.8
70.99654	0.6
71.01241	36.1
72.01564	0.8
72.99170	1.7
73.02805	25.7
75.00731	7.9
83.01240	6.8
83.04884	2.3
84.79180	0.7
84.79664	0.6
85.02808	12.2
85.06451	1.7
85.46685	0.5
87.00757	3.0
89.02299	20.8
89.02836	1.1
93.06935	0.7
95.01240	3.0
97.02818	0.8
99.00748	2.1
101.02306	34.1
102.02637	0.9
113.02310	14.6
113.03107	0.8
113.09608	1.7
119.03360	7.0
125.02309	1.2
128.03404	0.6
131.03400	1.4
139.07523	17.6
141.09105	0.7
143.03424	2.1
149.04532	0.7
151.07631	0.7
157.07309	1.2
157.08598	23.7
158.09024	0.9
161.04459	3.9
164.72839	0.5
166.25832	1.3
179.05545	1.0
181.63948	1.3
275.15018	7.5
301.12927	28.0
302.13354	1.2
319.13998	76.9
320.14395	2.6
361.15063	66.0
362.15439	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	1-O-beta-D-Glucopyranosylamplexine
Peak:m/z	Relative Intensity
52.95646	0.5
53.51423	0.5
55.01744	1.0
56.08273	0.5
56.50055	0.6
57.03326	1.4
58.00461	0.7
59.00047	2.0
59.01243	95.9
59.02285	1.5
59.02570	1.2
68.79889	0.6
69.03316	1.0
71.01240	35.6
71.55603	0.5
72.01529	0.6
72.99157	1.1
73.01189	0.6
73.02805	33.2
75.00729	0.9
83.01240	8.1
83.04900	2.7
84.79169	0.9
85.02812	9.5
85.06456	2.9
87.00719	3.8
89.02296	23.4
89.02835	1.3
95.01258	2.7
97.02802	1.3
99.00747	2.0
101.02302	35.6
101.05894	0.7
111.08011	0.8
113.02306	13.3
113.09561	3.1
119.03365	7.2
122.43538	0.7
125.02333	1.4
131.03389	0.6
139.07532	22.4
141.09105	0.8
143.03410	1.5
149.04454	0.9
157.08591	29.3
161.04446	3.4
166.25725	1.9
181.63930	0.8
213.59822	0.7
275.15106	3.9
301.12949	23.4
308.39215	0.7
319.13998	77.4
320.14270	3.2
342.21454	0.7
361.15076	100.0
362.15353	6.0
382.07004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03328	0.7
58.00458	0.9
59.00100	1.8
59.01241	100.0
59.02518	1.5
60.01578	1.1
66.86907	0.6
68.51660	0.7
69.03315	2.2
70.99738	0.8
71.01238	42.0
72.99162	1.4
73.01234	1.5
73.02803	96.4
73.04546	1.5
75.00733	1.5
76.87996	0.6
81.03305	1.4
83.01239	20.6
84.01575	0.7
85.02817	3.9
87.00713	1.3
89.02290	9.6
96.95870	0.7
97.02801	1.4
99.00734	1.7
100.99754	1.2
101.02301	63.1
101.05173	0.9
102.02599	0.8
107.40015	0.7
113.01679	0.8
113.02306	10.0
119.03328	2.9
125.02257	2.8
128.03394	1.8
131.03369	4.5
139.07523	51.5
139.12062	0.7
140.07831	1.5
143.03349	4.3
149.03448	0.6
149.04453	5.0
155.03287	2.1
157.08612	0.8
159.10129	1.0
161.04437	10.8
164.03351	1.5
171.07561	1.1
203.05536	0.7
203.16844	0.7
221.06409	0.9
275.14801	1.7
319.13721	2.6
361.15063	11.2
361.21707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20147	0.2
59.00150	1.4
59.01241	100.0
59.02504	1.7
60.01578	0.3
60.59955	0.2
68.33851	0.2
71.01241	1.6
73.02808	2.5
81.95570	0.2
83.01253	0.7
85.02814	0.6
89.02322	0.7
91.21375	0.2
99.92416	0.3
101.02300	1.7
113.02330	0.7
119.03395	0.3
137.59587	0.2
139.11188	1.5
180.43767	0.2
183.10301	0.3
201.11267	3.8
217.89020	0.2
305.47995	0.3
321.19147	0.3
363.16290	1.2
383.39969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23956	0.4
52.57950	0.4
54.80351	0.5
57.03311	0.9
57.60584	0.5
58.00480	0.5
59.00095	1.4
59.01242	74.2
59.02546	0.9
60.01572	0.5
60.04029	0.4
68.77316	0.4
69.03312	0.7
71.01238	33.3
72.99172	1.1
73.02806	13.5
73.03203	0.9
83.01239	5.1
85.02796	9.5
85.29678	0.8
85.30127	0.6
87.00736	2.8
89.02296	20.5
92.04129	0.5
95.01249	2.1
97.02789	0.8
99.00749	2.0
101.02304	24.4
111.08082	0.6
113.02306	11.9
113.09586	12.4
115.11128	0.5
119.03366	7.0
123.44380	0.5
125.02315	1.1
131.03329	0.5
141.04852	0.4
141.09094	17.5
142.09468	0.6
143.03331	0.7
157.08681	0.6
159.10161	45.2
160.10524	0.8
165.63159	0.9
180.77986	0.9
212.12502	0.5
303.14496	29.1
304.14835	1.1
321.15558	100.0
322.15924	4.1
363.16632	99.5
364.16989	5.2
386.03168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.1
55.04096	0.5
57.03311	1.3
57.60580	0.8
58.00447	0.8
59.01241	60.9
59.02441	1.3
60.01578	1.0
68.28442	0.7
71.01237	28.3
72.99153	1.7
73.02805	17.4
81.56574	0.6
83.01232	5.4
85.02808	9.2
85.29681	1.4
85.30116	0.9
87.00739	3.6
89.02292	12.3
92.23080	0.8
95.01218	2.8
97.02832	1.1
99.00727	1.8
101.02299	21.3
102.02608	1.2
113.02302	9.6
113.09594	5.8
117.64607	0.7
119.03345	4.2
125.02322	1.2
131.03323	0.9
141.09082	13.6
142.83336	0.7
143.03339	1.0
149.04434	0.7
159.10158	41.6
160.10489	1.2
161.04428	1.5
165.63200	1.4
173.11685	0.8
175.31093	0.9
180.78024	0.9
262.90582	0.9
303.14487	32.2
304.14774	1.6
321.15555	87.4
322.15857	3.8
363.16617	100.0
364.17001	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35301	1.8
53.15039	1.6
55.80661	1.9
59.01244	100.0
61.98695	2.3
63.64981	1.6
67.79870	2.2
70.84944	1.8
71.01241	42.1
72.99181	2.2
73.02395	4.6
73.02804	90.5
73.03204	4.9
73.32723	2.3
83.01240	23.3
83.04861	2.2
83.75020	1.9
85.02805	4.1
89.02315	8.3
90.82327	1.9
92.30923	2.3
99.00777	3.2
101.02308	54.6
101.02959	3.6
113.02290	10.7
119.03313	2.2
122.00589	2.2
124.26313	2.3
125.02310	3.4
125.74545	2.2
131.03331	2.8
141.09091	65.0
143.03447	3.2
149.04393	4.0
161.04466	8.3
194.97034	2.4
199.79398	2.1
236.17361	2.4
328.44742	2.9
363.16809	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1771
Annotation	Senkirkine
Peak:m/z	Relative Intensity
50.45758	1.2
58.02845	5.0
59.00975	1.4
59.01246	18.8
61.98698	1.7
62.83835	0.6
70.02824	0.9
71.01237	0.9
74.02324	1.7
78.11597	0.7
84.04414	5.7
84.65733	0.6
85.02789	1.0
100.04868	0.7
100.07542	10.7
102.02785	1.2
102.05468	70.1
106.30649	0.7
109.89523	0.8
122.68962	0.7
126.05513	1.3
128.03409	100.0
129.03796	1.3
135.46729	0.7
146.04472	21.0
156.06573	2.4
156.37473	0.7
163.11194	13.1
175.02367	1.5
191.14362	3.0
217.12297	2.8
235.13383	30.6
236.13713	1.2
320.18628	10.5
346.16635	17.0
347.16556	0.9
364.17691	46.2
365.17902	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37581	0.9
59.01244	8.6
61.98692	1.4
71.01237	3.9
72.00239	1.8
72.97384	3.6
73.02809	2.1
81.04420	0.9
83.01225	1.3
84.04414	2.5
85.02802	1.9
86.02332	39.1
86.02864	2.0
87.00706	1.5
87.02593	24.0
88.03902	1.4
89.02280	2.5
90.98450	53.4
96.96805	1.2
97.02816	1.4
99.00753	1.7
101.02323	3.4
102.67854	1.1
105.03656	6.0
106.84312	0.9
115.00249	2.1
116.92822	1.0
119.03372	1.1
119.87402	1.0
120.01119	0.9
122.03611	12.0
123.04382	1.2
127.05048	1.3
127.08647	4.5
128.03407	100.0
129.03758	1.9
130.76691	0.9
131.01595	8.7
131.42772	0.9
148.98936	1.1
149.02663	41.6
150.03049	1.3
153.06580	4.3
161.04448	2.0
171.07648	9.9
175.81972	1.1
197.05582	4.5
215.06691	29.5
216.06915	1.1
236.05997	2.6
249.05374	1.6
298.49658	1.1
305.08765	1.7
321.55933	1.0
329.08722	3.7
365.10394	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70720	0.8
57.03331	1.7
58.99969	1.9
59.01243	100.0
59.02367	2.1
60.01578	1.4
61.67918	0.8
66.60152	0.9
69.03291	0.9
71.01240	9.9
71.04899	1.4
71.56660	1.0
73.02814	1.9
80.28842	0.9
83.01247	2.9
83.04871	2.6
85.02819	3.1
87.00722	0.8
89.02306	7.2
95.01257	0.9
97.02802	2.9
99.00717	1.6
99.04378	4.9
101.02328	7.1
105.06889	1.1
107.04883	1.5
108.05668	2.0
109.02819	8.4
109.06390	0.9
110.49429	0.8
113.02319	3.2
113.05947	3.2
113.09652	1.3
119.03337	2.3
122.03625	3.5
123.04416	1.2
123.08038	2.9
125.02320	1.5
125.05967	6.9
127.32586	0.9
129.09082	1.6
135.08023	1.7
136.05190	3.3
137.05940	2.0
138.06755	4.1
139.07526	13.1
150.39053	1.1
151.07553	16.2
152.04681	1.8
152.08304	2.9
153.09088	1.4
161.04449	2.8
164.84239	1.0
165.09135	8.7
167.03429	5.2
167.07016	1.5
177.09082	2.2
179.17058	1.1
185.11765	9.9
201.09087	1.8
202.10019	1.9
215.10791	1.2
217.12242	5.9
219.10260	2.6
219.58337	0.9
235.13399	1.3
244.10844	1.2
259.13321	1.9
261.11264	1.4
277.14502	1.7
305.16290	1.7
321.13516	4.3
333.10086	1.1
347.17117	4.1
365.18176	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01732	0.8
56.98139	0.8
58.99934	1.1
59.01244	100.0
59.02410	2.1
60.01579	0.8
61.98685	1.5
66.81311	0.9
71.01241	9.3
73.02812	5.4
77.71342	0.8
81.38450	0.8
82.95271	1.9
83.01241	2.1
85.02807	2.4
89.02325	1.7
97.02789	1.0
101.02316	6.2
101.05943	7.2
113.02318	2.7
115.07429	1.1
135.02876	1.0
141.09105	1.4
145.07603	4.1
159.09096	1.1
160.06322	17.7
161.04449	2.0
161.07103	31.2
161.10677	0.9
173.10799	1.8
175.08682	19.2
185.10760	1.8
187.08630	4.7
189.04967	1.8
189.06630	31.2
190.07025	1.5
201.10245	5.6
203.08220	14.7
203.11844	8.2
229.09760	13.4
246.46089	1.1
277.12027	3.3
304.14719	1.4
305.08768	1.7
305.11481	45.3
305.15140	4.2
306.11829	2.1
323.12543	1.6
323.16019	3.0
364.17142	1.2
365.13345	1.4
365.17480	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
59.00024	1.4
59.01241	92.9
69.03304	1.8
71.01237	32.6
71.31154	0.8
72.99150	1.0
73.01109	1.6
73.02802	100.0
83.01241	22.8
85.02796	3.6
89.02300	9.6
99.00740	2.1
101.02299	69.9
113.02310	9.7
117.16470	0.8
119.03347	1.5
119.04875	1.3
125.02322	3.3
131.03358	4.1
136.73941	0.8
143.03375	3.8
145.02869	1.1
149.04402	3.1
155.03345	1.6
161.04451	13.5
163.03902	2.5
204.88828	0.9
208.01166	1.1
226.47520	1.0
238.98068	1.4
243.82533	0.8
264.25446	0.9
265.44174	1.2
266.79025	1.1
267.98282	1.2
365.14532	82.2
366.14865	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.0
55.74683	0.6
57.03322	1.0
59.00124	1.7
59.01244	100.0
59.02478	2.0
59.76349	0.7
60.01570	1.0
61.98667	1.1
69.39217	0.9
71.01239	11.0
73.02809	5.9
83.01244	3.1
85.02814	6.1
86.50292	0.9
87.00757	1.2
89.02284	6.9
95.01238	1.1
96.95853	1.5
99.00764	1.8
101.02301	12.8
113.02304	7.5
118.27653	1.0
119.03415	1.9
122.13028	1.1
125.02287	1.1
128.03426	1.0
161.04436	4.9
161.11700	6.9
167.03424	3.1
201.02370	1.0
305.08783	1.7
305.16101	5.1
323.13474	1.5
323.17099	9.2
365.14200	2.2
365.18210	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99950	1.2
59.01241	100.0
59.02389	1.8
60.01578	0.8
63.14793	0.4
64.13081	0.4
71.01239	1.0
101.02287	0.8
111.13062	0.5
132.04022	0.6
159.73715	0.4
201.02632	0.8
302.39908	0.5
305.09045	0.8
316.61768	0.5
378.19751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
58.21574	0.1
59.00072	2.0
59.01242	100.0
59.02608	0.9
60.01569	0.6
61.98674	0.1
71.01241	5.7
73.02796	2.0
73.03140	0.2
78.95757	0.2
83.01232	0.7
85.02796	2.7
87.00757	0.4
89.02287	0.7
91.05401	0.4
95.01242	0.3
99.00741	1.1
101.02300	4.7
113.02316	2.7
116.07068	0.1
119.03357	0.2
125.02353	0.2
128.03433	0.3
129.01782	0.2
143.03438	0.4
143.11847	0.4
147.04454	0.8
159.02916	0.7
161.04451	5.0
164.07080	1.4
182.32570	0.1
185.11964	0.1
227.79652	0.1
291.17160	6.8
292.17654	0.2
305.16061	7.4
306.16568	0.3
355.42276	0.2
365.18158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99970	1.5
59.01241	100.0
59.02338	1.5
60.01574	0.5
60.08514	0.1
61.59747	0.1
71.01256	0.3
85.02803	0.2
90.58246	0.1
91.73373	0.2
95.72354	0.1
96.68842	0.1
101.02323	0.4
118.96822	0.2
146.28046	0.1
154.57652	0.1
161.04477	0.1
175.02458	0.4
190.33536	0.1
201.02470	0.2
205.10783	0.1
263.15094	0.3
265.46472	0.1
293.48871	0.1
305.08994	0.2
323.10538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34959	0.4
55.33371	1.0
55.33585	0.4
59.01220	1.8
59.36911	0.5
61.20268	0.4
69.67324	0.4
78.50831	0.4
91.05367	0.7
104.04903	1.1
105.06956	0.6
106.06462	0.9
119.04890	0.5
120.04399	1.3
130.06485	0.6
132.04428	2.5
144.29063	0.5
146.05998	3.3
148.07567	43.3
149.07858	0.9
162.05511	0.8
183.31082	0.5
219.55325	0.5
233.19022	0.6
239.71501	0.5
279.64905	0.6
287.83490	0.5
366.24380	100.0
367.24747	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03971	0.5
58.29987	0.4
59.01242	39.8
59.02416	0.8
60.46505	0.3
61.49669	0.3
65.07621	0.3
66.68528	0.3
67.64662	0.3
71.01234	1.4
71.68672	0.4
72.99171	0.5
73.02804	2.6
79.41868	0.3
80.91532	0.5
87.00730	4.0
89.02319	0.7
91.72747	0.4
93.03320	1.5
95.09156	0.3
99.00748	0.7
101.02302	0.4
103.00235	7.0
111.13469	0.4
117.01818	6.8
117.03326	8.0
119.04892	92.6
119.08295	1.2
120.05237	1.3
121.02814	2.0
125.09560	0.4
131.04884	1.8
132.05708	0.6
133.02795	0.5
135.02863	0.5
145.02837	44.6
146.03183	1.2
147.04439	1.0
159.02888	3.5
159.04375	1.1
161.04623	0.4
163.03908	100.0
163.09320	1.1
164.04227	1.9
175.03961	0.6
177.03983	2.2
177.05424	0.7
203.03464	3.4
219.06589	6.7
221.02942	0.6
228.30029	0.4
236.80681	0.4
263.05615	32.1
264.05960	1.0
281.06656	7.1
282.07059	0.5
307.17609	0.5
323.07730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97419	0.1
59.01241	2.7
61.98695	0.2
65.12814	0.1
71.01233	0.2
79.16405	0.1
85.02800	0.2
88.11230	0.1
91.05402	0.1
93.03313	0.7
117.03338	0.3
119.01561	1.4
119.04890	100.0
120.05220	2.1
121.02860	0.2
133.06409	0.1
147.04405	0.1
161.05975	0.1
162.98586	0.8
163.03905	68.6
164.04251	1.7
176.04568	0.1
205.05026	0.2
227.84700	0.1
307.08252	5.3
308.08765	0.2
325.64868	0.1
367.10297	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51451	0.0
59.01242	1.3
60.01580	0.0
62.92382	0.0
65.03841	0.0
71.01239	0.1
73.02795	0.2
78.50771	0.0
91.05393	0.2
91.73332	0.1
93.03310	0.7
101.02325	0.1
117.03320	0.3
119.01219	1.1
119.04888	100.0
119.08070	1.1
120.05221	2.3
121.02822	0.1
133.06453	0.1
135.02890	0.1
145.02832	0.3
147.04407	0.2
161.05983	0.2
162.98039	0.6
163.03902	65.3
163.08984	0.6
164.04236	1.8
164.05356	0.0
176.04584	0.1
177.03999	0.5
177.05379	0.1
202.57358	0.0
205.04979	0.3
208.03600	0.0
263.05701	0.1
367.10400	0.1
374.03613	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89585	0.5
58.29684	0.5
59.01241	100.0
59.02430	1.8
59.90111	0.5
60.46738	0.5
61.98681	1.2
63.57766	0.9
67.80945	0.5
69.50233	0.6
71.01231	3.7
73.02805	1.5
77.72700	0.5
83.53712	0.7
85.02814	2.4
87.00742	0.6
89.02332	1.0
91.61929	0.6
92.71928	0.5
93.38767	0.6
99.00754	1.1
101.02295	5.5
113.02319	2.8
119.04845	3.6
121.27046	0.7
159.02911	1.0
161.04474	3.6
163.03868	3.2
165.84041	0.6
176.92075	0.8
307.10641	0.7
307.17587	10.2
367.95831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71609	0.3
55.08817	0.3
58.44100	0.3
59.00115	1.8
59.01241	100.0
59.02534	1.5
59.45326	0.3
59.56170	0.3
59.95802	0.3
60.01572	0.6
61.01676	0.5
63.57598	0.5
63.57896	0.4
71.01241	3.7
73.02800	2.2
81.75505	0.4
83.01243	0.7
85.02799	2.2
88.98069	0.4
89.02318	0.8
99.00707	0.7
101.02296	4.9
102.05454	2.8
111.00716	0.5
111.01509	0.4
113.02311	1.6
114.35619	0.4
119.04884	8.1
126.61427	0.4
128.03418	3.3
146.04491	3.3
161.04460	4.0
163.03905	6.1
169.08580	0.5
195.10176	0.6
307.17624	10.3
308.18311	0.6
368.13641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39604	0.3
67.32786	0.3
72.99171	1.1
74.99107	1.6
75.00734	100.0
75.02599	1.4
79.95589	0.9
81.01760	0.4
88.98229	0.4
96.95898	0.4
98.08242	0.4
100.30270	0.3
130.28601	0.4
168.30437	0.3
204.42592	0.4
208.70415	0.4
271.20865	0.4
309.28009	6.0
330.52197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61646	0.7
59.01246	3.9
59.01496	0.7
60.01591	0.5
61.60110	0.4
61.97347	1.6
61.98693	100.0
61.99877	1.2
64.57133	0.4
70.79631	0.4
71.01238	0.5
91.02794	0.5
91.73276	0.6
101.02312	0.6
109.48741	0.5
112.97617	0.5
119.04889	4.3
120.05247	2.3
128.03410	0.9
135.02835	2.3
163.03918	2.9
164.04221	2.3
181.67372	0.5
232.10786	0.5
247.08716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76245	0.2
55.38571	0.2
55.52193	0.2
58.02013	0.2
58.64327	0.2
58.65588	0.3
59.01237	2.3
59.79182	0.2
60.99172	1.4
71.01225	0.7
72.99165	1.5
73.02798	1.1
74.85642	0.2
74.98955	0.4
75.00730	23.0
78.87156	0.2
87.00750	1.1
88.98657	11.2
89.00677	0.2
89.02296	4.5
89.02835	0.3
105.07610	0.3
107.04909	0.4
109.02801	0.6
117.01799	2.7
117.03329	0.3
133.02834	2.1
134.03653	1.8
134.98505	0.9
135.02870	100.0
135.04373	20.5
135.06636	1.1
136.03207	1.0
136.04776	0.3
161.02333	5.6
179.03409	13.2
180.03851	0.5
180.35446	0.2
207.01395	4.0
279.05170	0.7
297.06201	3.5
311.62387	0.3
317.07220	0.3
390.90274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23277	0.2
59.01243	2.0
60.99173	1.3
63.85881	0.2
68.33714	0.2
68.51273	0.2
71.01244	1.1
72.99165	1.7
73.02802	0.8
74.99025	0.3
75.00730	21.7
79.92712	0.2
87.00718	1.2
88.96404	0.2
88.98660	11.6
89.02293	4.7
100.27438	0.2
107.04890	0.5
112.73220	0.2
117.01809	2.5
120.73080	0.2
133.02846	2.1
134.03674	1.9
134.98831	1.4
135.02870	100.0
135.04373	20.0
136.03218	1.0
136.04778	0.4
143.55229	0.2
161.02339	5.5
161.05978	0.2
173.05916	0.3
177.01868	0.4
179.03410	12.2
180.03871	0.2
184.58597	0.2
207.01401	4.4
279.05167	0.7
297.06146	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01014	0.2
59.01246	2.4
60.99169	1.5
71.01244	1.0
72.99168	1.9
73.02802	1.1
74.98887	0.4
75.00731	23.1
75.02367	0.4
78.10020	0.2
87.00716	1.3
88.98660	11.5
89.02293	5.1
106.49314	0.2
107.04877	0.4
109.02817	0.6
110.57267	0.2
117.01804	3.2
133.02852	2.4
134.03645	1.6
134.69987	0.2
134.98357	0.9
135.02872	100.0
135.04372	20.3
136.03185	1.3
136.04741	0.4
153.73055	0.2
161.02338	6.2
161.05978	0.3
177.01898	0.3
179.03418	13.5
180.03763	0.5
207.01401	4.5
279.05215	0.6
297.06192	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52325	0.2
58.99972	0.4
59.01242	25.3
59.02390	0.5
66.67709	0.2
71.01237	0.6
73.02802	0.2
75.00741	0.3
82.95261	1.2
83.02371	0.3
83.89933	0.2
85.02801	0.4
88.98691	0.2
90.15218	0.2
93.03313	8.2
93.64874	0.4
98.28042	0.2
101.02280	0.4
101.23599	0.2
107.04843	0.2
119.04886	0.8
121.06458	8.7
122.03603	0.5
122.06822	0.2
123.04412	0.4
135.02866	2.0
135.04404	0.3
145.04967	0.2
148.09932	0.2
163.03833	0.4
164.99361	0.8
165.05470	100.0
165.10985	1.2
166.05812	3.3
207.06714	0.3
309.09787	0.7
327.10953	0.6
365.04663	0.2
369.11847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90611	0.3
52.69473	0.6
55.01758	0.8
56.42310	0.6
57.03314	2.0
58.00464	0.7
58.64716	0.4
59.00050	1.3
59.01242	76.0
59.02567	1.0
60.01574	0.6
60.80120	0.5
63.39518	0.4
69.03317	1.0
70.99680	0.6
71.01238	31.2
72.99171	1.5
73.02394	1.1
73.02803	22.1
75.00728	0.8
79.47672	0.8
82.95269	1.9
83.01241	8.4
83.02349	0.4
84.58047	0.4
85.02293	0.8
85.02806	17.1
87.00728	2.3
89.02297	15.5
91.05403	1.4
92.03441	0.4
95.01257	2.8
97.02783	1.3
99.00735	3.0
100.03539	0.5
100.99667	0.5
101.02303	26.6
101.54136	0.5
105.06953	1.1
112.01556	0.9
113.02309	13.4
115.22168	0.5
119.03371	6.2
119.04836	2.9
121.06462	12.9
125.02332	0.8
131.03374	1.0
135.02866	0.9
135.04442	2.6
143.03366	1.4
144.21785	0.6
145.06429	0.5
147.04402	35.0
147.08028	1.4
148.04945	0.7
149.05957	3.0
159.02876	0.5
161.04451	1.7
163.03903	3.2
163.33850	0.5
165.05473	36.2
166.05840	1.0
178.32623	1.0
179.05492	0.7
189.05513	0.7
191.07086	2.7
208.84142	0.5
214.80269	0.5
249.07651	2.3
309.09827	66.0
310.10254	4.0
327.10864	100.0
328.11282	5.1
369.11914	34.0
370.12231	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52325	0.2
58.99972	0.4
59.01242	25.3
59.02390	0.5
66.67709	0.2
71.01237	0.6
73.02802	0.2
75.00741	0.3
82.95261	1.2
83.02371	0.3
83.89933	0.2
85.02801	0.4
88.98691	0.2
90.15218	0.2
93.03313	8.2
93.64874	0.4
98.28042	0.2
101.02280	0.4
101.23599	0.2
107.04843	0.2
119.04886	0.8
121.06458	8.7
122.03603	0.5
122.06822	0.2
123.04412	0.4
135.02866	2.0
135.04404	0.3
145.04967	0.2
148.09932	0.2
163.03833	0.4
164.99361	0.8
165.05470	100.0
165.10985	1.2
166.05812	3.3
207.06714	0.3
309.09787	0.7
327.10953	0.6
365.04663	0.2
369.11847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42485	0.3
59.00089	0.6
59.01242	35.5
61.98681	0.4
71.01239	12.0
72.99153	0.5
73.02799	0.6
75.00728	1.9
78.95764	1.1
79.95583	1.0
85.02802	0.7
89.02298	17.9
96.95870	48.4
96.96758	2.5
96.98570	0.6
101.02307	5.3
103.01212	1.3
103.03869	100.0
103.06844	1.0
104.04199	1.2
109.02886	0.5
109.06470	0.7
113.02308	3.1
114.05482	1.2
119.03363	1.8
121.02834	2.2
127.07523	1.8
130.33380	0.4
131.03386	0.6
135.02867	7.7
135.04416	1.6
137.02275	2.6
137.57411	0.5
143.03363	0.8
149.04460	0.9
161.02382	0.8
161.04483	1.1
164.01007	1.0
165.01837	14.3
171.06580	2.5
179.03438	1.7
179.05511	3.5
189.07568	4.1
207.03006	0.6
264.03867	0.5
320.70642	0.5
354.85770	0.5
369.08362	6.8
369.21405	0.5
394.88657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	8.4
61.98690	2.5
71.01236	3.8
71.48714	0.2
72.99164	0.3
73.02805	0.5
75.00726	0.6
76.48508	0.2
78.95755	3.7
78.96197	0.3
79.95585	2.7
83.01241	0.4
85.02815	1.3
88.24643	0.1
88.98667	0.2
89.02291	4.7
95.01260	0.2
96.93062	0.9
96.95866	100.0
96.96767	8.2
96.98309	1.5
98.02325	0.2
101.02303	3.3
102.36324	0.2
102.88883	0.2
113.02301	1.4
114.05470	0.2
119.03346	2.2
134.03593	0.2
135.02869	2.8
135.04405	0.5
145.06506	0.3
177.06578	0.2
179.03392	0.3
179.05553	0.2
307.49652	0.2
351.10934	0.3
369.11908	9.0
370.12134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24506	1.2
53.67969	1.5
57.05461	1.7
62.36644	1.8
73.16146	1.8
75.00734	100.0
79.94199	1.6
83.90969	1.7
88.05210	1.5
116.45824	1.8
122.55335	1.7
125.10940	1.7
131.73306	1.8
196.57391	1.7
258.51300	2.1
311.29614	30.8
325.76227	1.9
369.29999	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	6.9
61.98686	5.0
71.01239	16.6
73.02789	8.0
73.26592	1.3
77.22309	1.3
83.01244	2.6
85.02802	12.1
91.77435	1.7
93.03307	2.6
96.95866	4.0
97.78725	1.8
99.00754	2.4
101.02294	8.4
106.04097	11.8
107.04890	90.0
108.02065	2.1
108.05234	2.6
113.02314	6.4
119.04873	2.3
121.02804	1.9
122.03662	1.6
136.07561	55.9
140.77890	1.6
161.04512	1.9
164.07076	100.0
165.07390	2.9
189.49683	1.7
206.17291	1.7
208.06100	93.7
209.06422	3.7
240.92387	1.8
248.06096	1.7
311.07129	1.7
350.31021	2.1
370.11462	99.5
371.11667	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19430	0.2
51.28367	0.3
59.01006	0.3
59.01244	2.8
71.01225	1.0
73.02795	0.7
84.24666	0.3
85.02804	0.7
101.02290	0.5
107.98872	0.8
108.02028	65.3
108.04849	0.8
109.02370	0.8
112.76155	0.4
113.02290	0.3
114.05518	0.3
123.00600	0.4
123.04384	30.1
123.07819	0.4
124.04743	0.5
130.08591	0.3
152.01038	49.9
153.01366	0.9
164.08366	0.8
166.97284	0.9
167.03398	100.0
167.08759	1.0
168.03748	1.9
177.01846	0.8
209.04498	0.6
226.03940	0.4
253.93295	0.3
319.25204	0.3
371.09882	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00082	1.9
59.01243	100.0
59.02560	1.4
60.01564	0.6
61.06356	0.5
61.98701	0.9
123.04452	0.8
145.06093	0.7
253.10988	0.9
321.33481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19128	0.3
54.92558	0.3
58.84954	0.2
58.99986	1.6
59.01242	100.0
59.02327	1.6
60.01580	0.5
62.07573	0.2
63.17168	0.3
63.57399	0.3
67.42597	0.3
71.01230	0.4
107.04888	16.6
114.19460	0.3
119.42477	0.3
143.49170	0.3
161.91444	0.3
232.90654	0.3
270.12079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45885	1.0
54.45208	1.1
57.03308	1.8
58.00454	2.9
59.00118	1.6
59.01242	100.0
59.02485	1.7
70.99798	1.0
71.01241	51.0
72.99149	1.8
73.02787	1.8
83.01219	2.6
85.02812	9.6
87.00726	3.1
89.02298	70.2
89.24831	1.2
91.72682	1.7
95.01243	3.6
97.04459	1.2
99.45190	1.4
101.02302	27.4
113.02306	18.8
113.80062	1.4
119.03371	29.2
119.04166	2.1
119.83514	1.2
125.02262	1.4
128.03568	1.2
131.03412	2.8
133.88499	1.0
143.03404	2.4
147.11673	10.0
149.04434	1.6
162.52386	1.3
178.03616	1.2
179.05521	5.3
191.10686	13.2
201.52965	1.4
209.11754	1.5
326.29617	1.4
371.17136	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.6
57.86899	0.4
59.01240	7.4
59.83490	1.1
59.83757	0.6
61.48846	0.4
63.04868	0.4
70.81191	0.4
71.01225	2.1
73.02810	1.2
81.03310	12.1
82.70946	0.4
83.01244	3.6
83.04375	1.1
83.04878	19.4
85.02814	1.0
87.00697	0.7
87.91965	0.4
93.03288	0.7
95.01250	0.6
95.04893	0.9
97.02795	1.1
100.07539	5.1
102.05439	0.6
102.30145	0.5
107.04881	0.6
121.02858	0.7
123.00610	0.5
123.04391	41.7
123.07965	2.0
124.04740	0.9
125.02328	5.9
126.05439	0.6
128.03429	0.9
135.04398	1.1
137.02303	1.3
139.03879	1.0
149.02327	0.7
151.00237	1.5
151.03900	1.3
163.03902	1.8
166.02597	0.6
166.97365	0.8
167.03403	100.0
167.08766	1.4
168.03732	2.6
168.08318	0.5
175.00291	1.2
179.03369	1.2
181.04959	3.7
191.03426	18.8
192.03833	0.6
199.18109	3.9
209.04510	8.6
215.63512	0.5
221.04527	2.6
225.16029	3.9
243.17143	11.4
269.15155	0.7
283.03345	0.5
353.20947	4.4
371.09726	2.9
371.21915	42.3
372.22162	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56069	0.8
53.69881	0.9
56.36251	0.8
59.01240	7.1
71.01240	1.8
72.99181	2.8
73.03911	1.0
74.02356	1.4
75.88083	0.9
79.29269	0.9
85.02818	1.1
87.62971	1.0
91.43694	0.9
108.02029	1.3
109.02845	1.3
109.14085	1.1
109.99954	9.8
111.00788	2.5
121.02818	1.2
122.03631	1.1
123.04417	1.7
125.02309	11.6
127.24621	1.0
128.03447	1.4
130.08617	1.3
136.01515	6.2
137.02370	1.3
137.99460	10.4
139.00258	25.8
139.01300	1.6
151.00317	1.7
151.03983	4.7
153.01823	100.0
154.02618	37.7
155.72923	1.1
167.03445	4.2
168.04176	44.8
169.01324	5.7
169.04961	65.8
170.05342	1.7
179.03642	1.0
313.09488	1.3
321.18265	1.8
343.20139	1.2
373.11447	2.8
373.21216	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73272	1.5
55.01742	2.7
57.03308	2.9
59.01245	23.0
61.73341	1.6
61.98701	2.3
69.16689	2.2
71.01237	48.2
72.99173	2.8
73.02805	17.3
73.03084	1.6
83.01250	6.2
85.02808	25.0
86.31786	2.3
89.02314	3.5
93.03348	2.2
94.87906	2.1
95.01258	4.2
96.03646	2.0
96.95887	2.2
99.00748	7.7
101.02296	26.5
106.04120	8.8
107.04893	100.0
108.02061	18.5
108.05249	2.2
109.02815	18.1
113.02317	20.6
116.07045	2.5
125.02302	11.8
129.01810	2.7
151.03900	97.8
159.02921	6.2
161.04462	34.0
167.00443	3.7
197.12939	2.0
204.67163	2.2
210.45557	2.8
244.56808	1.9
291.10895	5.6
311.27908	2.0
313.09299	11.3
323.28250	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.9
59.01242	100.0
59.02452	1.6
60.01580	1.1
67.00653	0.8
69.03296	0.9
71.01240	18.9
73.02804	9.4
81.03297	0.8
83.01246	4.6
85.02806	6.9
87.00742	0.9
89.02299	3.8
94.04092	0.8
95.01238	1.5
95.04872	3.5
97.02874	0.9
99.00769	2.1
101.02304	12.8
107.08567	1.3
113.02284	5.8
118.67714	0.8
123.08027	13.7
125.02332	0.8
125.09601	22.4
126.09927	1.4
128.03445	3.1
151.07607	2.0
153.09181	3.2
156.55836	0.7
159.02892	0.8
161.04437	5.4
169.08607	50.9
203.05638	1.9
267.21912	1.1
278.18143	0.8
287.15054	1.9
335.17477	0.9
335.45737	0.9
352.36945	1.1
361.83197	0.7
373.15079	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00537	0.4
55.01751	0.9
57.03310	0.7
58.00448	0.7
58.98186	0.4
59.00107	1.8
59.01240	100.0
59.02539	1.4
60.01572	0.7
61.98696	0.9
65.94693	0.5
68.18987	0.5
69.03313	0.8
71.01237	21.8
72.99178	0.8
73.02394	1.1
73.02802	20.1
75.00746	0.8
83.01239	4.9
85.02802	6.2
87.00737	1.9
88.82093	0.4
89.02292	19.1
89.02834	1.1
95.01255	1.9
97.02801	1.0
97.27918	0.4
99.00735	1.0
101.02299	24.5
107.08540	2.7
113.02301	9.5
119.03362	7.5
119.04132	0.5
125.02327	1.0
128.03445	0.6
131.03407	2.0
141.67393	0.5
142.37708	0.5
143.03450	1.6
149.04486	1.6
151.03954	1.3
151.07552	5.4
153.09111	0.6
155.03394	0.6
161.04478	4.1
179.05452	2.3
189.09586	0.5
207.34378	0.5
216.31297	0.5
218.26625	0.5
254.28688	0.5
287.14990	3.9
303.37946	0.5
313.13022	1.7
328.19040	0.5
331.13867	2.5
373.14999	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1506
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
52.77562	0.7
54.19425	0.6
57.03313	1.3
59.00024	2.0
59.01242	100.0
59.02320	1.5
59.02580	1.2
60.00648	0.7
60.01570	0.7
61.07471	0.6
66.63995	0.6
69.03318	1.0
71.01239	26.6
71.01637	1.3
72.99159	1.2
73.02802	19.5
75.00732	1.2
82.13406	0.7
83.01233	5.4
85.02798	9.6
87.00710	0.8
89.02299	18.2
89.06277	0.6
91.72654	0.6
95.01234	2.0
99.00767	0.9
101.02299	28.1
107.08551	2.3
113.02307	10.4
119.03358	7.2
125.02291	1.4
125.09615	1.9
128.03412	2.0
131.03386	1.5
133.67801	0.7
135.33122	0.7
141.86890	0.7
143.03369	2.2
149.04451	0.9
151.07564	9.3
161.04454	5.4
169.08623	3.3
179.05502	2.7
222.32439	0.9
260.19641	0.8
286.67850	0.9
287.15018	5.7
313.12973	1.2
331.13968	3.5
336.10785	0.9
373.15060	29.5
374.15240	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
55.01743	0.9
57.03306	1.4
59.01242	27.3
69.03297	0.8
71.01237	14.1
72.99151	0.7
73.02812	3.3
81.03292	0.7
83.01244	3.1
83.24136	0.5
85.02807	7.1
85.99943	0.5
87.00719	1.6
89.02299	7.9
95.01254	1.1
99.00742	1.3
101.02307	9.2
111.00748	1.4
113.02308	5.1
118.40029	0.5
119.03349	2.3
153.01601	0.6
162.05585	0.6
162.64894	0.9
181.12276	0.9
183.47009	0.6
186.25684	0.7
193.12268	2.8
211.13341	8.2
212.13731	0.8
267.21875	0.8
355.17520	1.4
373.18686	100.0
374.18875	4.7
391.45395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.157
Annotation	Glu-Asp-Ile
Peak:m/z	Relative Intensity
50.60763	0.2
50.96574	0.5
54.36099	0.2
59.01239	2.3
59.47908	0.3
61.63091	0.3
64.10087	0.3
66.78730	0.3
67.43690	0.3
73.64482	0.3
74.02343	0.4
82.02837	2.8
84.04399	2.3
109.03912	0.6
112.03938	0.8
113.94852	0.3
114.09048	0.4
116.03567	0.5
116.07037	36.4
120.87634	0.3
125.02277	0.7
126.02566	0.4
127.04993	1.9
127.08653	1.3
127.99352	1.1
128.03406	100.0
128.06931	1.1
128.10631	0.4
129.03738	1.2
141.01625	0.7
141.94580	0.4
145.05966	0.3
151.02563	0.3
157.13350	0.6
165.10223	0.7
183.11282	6.4
195.07753	1.0
196.10860	0.5
201.12389	0.6
209.09253	3.5
227.10338	11.7
228.10840	0.4
239.06696	2.8
245.11415	17.7
246.11826	0.5
294.14572	0.5
338.13498	3.9
356.14700	8.3
374.15717	19.9
375.16000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1297
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
59.00003	0.8
59.01243	40.9
61.21139	0.4
61.98694	1.5
69.03345	0.6
71.01234	4.2
73.02798	8.8
81.03292	0.9
83.01261	1.2
83.04890	0.6
85.02805	0.8
88.98663	1.4
89.02300	4.4
97.02811	1.0
98.10346	0.6
101.02293	4.0
107.04896	1.7
107.08518	0.8
109.06452	37.6
111.08018	1.2
113.02309	1.7
127.03712	0.9
127.07518	100.0
128.03413	0.6
128.07845	1.8
141.09119	2.7
149.06133	0.5
151.07581	3.7
153.05452	2.2
155.03487	0.6
169.08539	1.1
171.06534	84.0
172.06889	1.7
174.99095	0.9
181.37445	0.5
195.06535	1.6
213.07661	3.3
217.00233	2.0
220.02562	0.5
312.87906	0.6
346.53635	0.7
375.12799	1.4
375.16663	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.0
58.02841	0.9
58.17336	0.2
59.01251	1.0
62.17418	0.2
64.51371	0.2
69.03316	0.2
72.00766	0.5
74.02332	2.1
74.02723	0.3
74.31141	0.2
74.75010	0.2
80.33332	0.2
82.02833	1.8
83.68117	0.2
84.04402	2.9
84.04870	0.2
85.02791	0.3
86.02326	14.1
88.03910	0.8
91.72701	0.5
96.04416	0.7
102.98477	1.1
107.06018	0.5
109.07598	1.1
110.06001	0.3
113.09583	16.9
114.09918	0.4
120.01114	13.6
121.22257	0.2
126.01827	0.2
127.04998	2.7
127.07888	0.1
127.08640	11.4
128.03403	100.0
128.07120	1.4
129.03752	1.7
144.01122	0.3
153.05341	0.3
153.06572	5.6
154.35239	0.2
159.08392	2.8
167.04544	0.3
171.07655	35.3
172.07997	0.6
179.04543	1.2
197.05688	1.0
213.03345	1.5
215.06659	4.0
231.04414	7.6
249.05492	29.3
250.05768	0.7
375.16022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00844	0.2
55.01743	0.5
57.03312	1.0
59.00076	1.8
59.01242	100.0
59.02589	0.9
60.01569	0.6
60.14355	0.2
69.03315	0.6
71.01241	17.9
71.04872	4.2
73.02397	0.7
73.02805	10.9
75.00738	0.3
83.01236	4.1
83.04881	0.3
84.02056	0.4
85.02805	6.4
85.38097	0.3
87.00745	0.6
89.02287	1.5
90.69829	0.3
95.01260	1.3
95.59691	0.3
97.02833	1.1
97.23969	0.3
99.00742	1.7
99.08026	0.6
101.02304	11.0
113.02306	6.2
125.09568	0.8
127.11160	13.7
127.90332	0.2
128.11501	0.4
130.74420	0.3
131.03381	0.5
143.03384	0.8
153.09132	2.0
155.03317	0.3
155.10608	0.6
156.01414	0.3
159.02817	0.7
161.04449	5.3
171.10173	41.3
172.10522	1.2
174.99167	0.4
181.52139	0.3
203.05571	1.5
217.00269	1.1
247.77307	0.3
276.02151	0.3
278.95676	0.4
289.16583	1.2
346.43021	0.8
375.16653	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37893	0.5
55.01746	1.6
57.03316	3.1
59.00072	2.0
59.01242	100.0
59.02565	1.4
60.01586	0.7
68.35821	0.5
69.03312	0.6
71.01238	25.5
72.99182	1.8
73.02805	11.0
75.00739	0.9
81.03326	0.8
83.01238	7.3
84.02052	0.7
85.02805	16.9
85.99944	1.2
87.00735	2.5
89.02313	3.7
95.01264	2.2
97.02797	1.3
99.00728	4.0
101.02299	25.8
113.02305	13.9
125.02377	1.0
128.03435	1.8
131.03290	0.6
143.03363	1.5
153.09142	1.8
159.02876	1.7
161.04436	9.7
162.08345	0.8
171.10185	3.8
174.99207	1.3
205.45969	0.6
215.57086	0.8
217.00261	4.8
250.48010	0.7
253.14972	0.8
289.16583	26.1
290.16968	1.1
315.14536	11.5
333.15524	16.5
375.16614	42.5
375.20532	1.5
376.17075	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85938	0.2
56.50335	0.2
56.98209	0.2
57.03315	0.3
58.14387	0.2
59.00057	1.8
59.01242	100.0
59.02546	1.3
60.01582	0.6
63.69990	0.2
69.03296	0.3
71.01239	11.0
72.99164	0.4
73.02804	11.2
75.00735	0.4
78.20065	0.2
83.01241	2.6
85.02803	2.5
87.00728	0.5
89.02298	8.1
89.02837	0.4
91.73255	0.3
95.01245	0.6
95.80636	0.2
97.02836	0.5
99.00742	0.3
101.02306	10.3
103.03861	0.5
113.02307	4.6
117.82755	0.2
119.03365	3.1
125.02323	0.5
128.03448	0.8
130.08623	1.3
131.03418	0.8
143.03415	0.7
146.58826	0.2
149.04472	0.7
151.65140	0.2
153.05539	0.3
153.09056	0.5
154.24574	0.2
155.03484	0.2
158.05356	0.2
161.04488	2.2
174.99236	0.4
177.37636	0.2
178.02995	0.2
178.45348	0.2
179.05579	1.6
196.27394	0.2
217.00323	0.9
310.06808	0.3
315.14435	0.5
333.15558	1.6
339.12128	0.6
375.16776	0.8
397.45767	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41383	0.8
54.27629	0.7
55.01752	1.1
57.03307	1.0
57.17147	0.7
59.00050	2.3
59.01241	100.0
59.02552	1.5
69.03313	1.5
71.01237	31.8
72.99162	1.1
73.01179	1.0
73.02393	1.9
73.02803	36.7
74.21242	0.8
74.75799	0.8
81.03314	0.9
83.01235	13.2
85.02818	10.4
87.00716	2.0
89.02296	9.0
95.01234	1.3
96.07587	0.9
97.02790	1.2
99.00722	3.0
101.02299	39.4
106.27542	0.9
113.02311	11.3
119.03364	2.9
125.02308	1.1
128.03430	1.4
131.03360	1.8
143.03395	1.9
153.09106	12.2
161.04475	5.9
162.08339	1.5
171.10181	5.6
174.99150	3.8
179.07014	1.5
210.39006	1.0
217.00230	11.6
289.16589	11.4
292.79959	1.0
315.14484	9.9
333.15536	25.2
374.98145	1.4
375.16629	79.5
376.16910	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38234	0.8
57.03331	1.0
57.24487	0.9
59.00053	1.9
59.01243	100.0
59.02542	1.2
60.01559	0.9
65.48959	0.9
71.01241	17.6
71.04880	3.7
73.02798	8.8
83.01250	3.5
85.02800	7.2
86.02325	1.9
87.00731	1.2
87.11149	1.0
89.02299	2.7
99.00753	2.2
101.02304	10.8
113.02311	6.1
113.09578	2.3
120.01114	1.9
127.11156	9.2
128.03407	10.9
128.08418	1.0
129.45093	1.2
142.54303	1.1
151.11201	3.7
153.05432	1.4
153.09015	1.2
156.38821	1.1
159.02925	1.4
161.04462	5.4
171.07680	4.6
171.10167	25.9
174.99144	1.7
195.10147	1.5
203.18338	1.2
213.11359	4.2
217.00217	7.1
249.05490	4.1
269.05807	1.2
289.16519	2.1
333.19196	1.1
342.93677	1.2
375.16348	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82245	0.5
59.01237	0.7
59.96593	0.6
60.10556	0.5
67.41902	0.5
71.01204	0.5
74.98920	2.2
76.35880	0.6
78.95768	15.6
78.96183	0.5
80.60980	1.7
92.99980	2.3
96.96819	6.4
142.24886	0.7
149.00847	0.8
149.18086	0.6
153.05334	0.8
159.08350	8.8
161.06305	4.1
192.98082	0.7
209.01234	2.8
217.07240	1.3
275.06042	1.4
277.07623	2.6
279.23453	1.4
289.07504	1.4
291.09125	94.7
292.09274	6.2
309.10303	2.3
357.13901	1.8
359.15396	100.0
360.15573	8.6
375.14648	0.7
375.18674	5.9
375.26584	4.0
377.16388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57083	0.6
59.00999	0.7
59.01240	6.5
61.98684	2.1
70.13487	0.6
71.01218	1.0
74.00675	0.6
89.02304	1.8
89.07854	0.7
91.05390	5.9
93.03317	29.0
101.02284	0.7
111.00742	1.1
111.08038	0.8
120.01129	1.6
128.03413	1.2
134.03639	1.1
134.38789	0.7
134.99924	1.2
135.04396	100.0
136.04739	2.4
137.02330	16.0
173.08090	1.1
173.94122	0.8
179.03407	75.0
180.03767	2.6
181.47208	0.7
271.16016	0.9
273.07791	0.9
289.07239	1.6
315.72852	0.8
317.06696	10.2
321.16992	0.8
341.10968	2.9
377.09018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Abafungin
Peak:m/z	Relative Intensity
54.01519	1.0
55.01753	1.9
57.03319	2.0
59.00090	1.5
59.01243	90.0
59.02538	1.4
61.98697	2.7
67.40336	1.3
69.03311	2.2
71.01243	28.4
72.99155	3.8
73.02808	16.2
75.00741	5.5
83.01252	8.3
85.02806	19.4
87.00765	3.6
89.02285	9.9
95.01211	2.4
99.00757	4.3
100.31674	1.5
101.02303	31.7
101.02951	2.2
107.55043	1.4
111.08054	2.0
113.02306	13.8
119.03391	2.3
125.02303	1.6
128.03403	4.7
129.09073	2.9
135.02872	17.8
135.04414	3.2
143.03313	2.0
155.07088	4.2
159.02890	3.0
161.04436	8.9
173.08095	1.9
175.29971	1.5
179.03448	3.0
215.03207	1.7
217.51836	1.4
291.14502	10.6
297.06137	2.3
317.12430	7.1
335.13495	17.4
341.10889	6.4
377.09140	3.5
377.14563	100.0
378.14832	6.0
382.32462	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06131	0.6
52.00376	0.7
59.01252	6.9
65.08356	0.8
71.01253	1.7
73.02825	2.0
74.02354	2.9
82.02869	2.6
84.04427	2.4
86.02328	15.4
86.02783	1.2
89.02307	1.9
96.04443	0.8
101.02341	1.8
113.09592	1.8
127.05025	2.9
127.08643	9.5
128.03406	100.0
129.03743	1.2
131.88303	0.8
153.06569	6.0
159.08479	1.6
161.04715	1.0
161.09955	58.5
162.10323	1.4
171.07652	38.2
173.11696	1.1
179.04596	1.5
182.68907	1.0
197.05722	1.4
205.03804	1.0
215.06766	4.2
227.08473	1.0
248.13232	10.9
335.17291	2.3
341.10953	2.2
345.11060	1.9
359.16672	3.3
366.11792	1.0
377.09210	1.7
377.13507	3.3
377.17908	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08863	0.3
53.64736	0.3
55.01749	0.9
56.27235	0.5
57.03308	0.8
58.00460	0.9
58.60626	0.8
59.00019	0.6
59.01243	41.8
61.52074	0.8
61.52342	0.5
64.81415	0.4
68.51171	0.4
71.01241	14.6
72.99158	0.5
73.02809	5.6
76.56380	0.4
81.32729	0.4
83.01230	3.4
85.02811	6.1
87.00760	2.5
88.80999	1.1
88.81499	0.9
89.02301	5.4
95.01239	1.5
97.02802	0.9
99.00749	1.3
101.02299	11.3
111.00745	0.6
113.02302	4.3
119.03357	1.3
125.02357	1.1
125.60919	0.5
127.11139	2.8
140.66557	0.5
155.10655	4.4
161.51476	0.6
171.10176	0.9
173.11742	65.5
174.12125	1.7
175.18126	0.6
185.11772	0.6
187.13365	1.6
215.12837	1.6
237.12029	0.5
257.13779	0.6
317.16046	26.5
318.16446	1.2
335.17142	91.7
336.17453	4.5
377.18195	100.0
378.18588	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10213	1.5
57.13380	1.6
58.99992	1.6
59.01244	100.0
61.11919	1.5
61.80233	1.5
69.03327	3.1
71.01244	42.5
72.92863	1.5
72.99165	2.6
73.01062	1.7
73.02805	94.0
83.01250	21.6
85.02808	4.0
89.02303	11.5
91.52116	1.8
101.02303	66.9
101.02957	3.6
113.02287	11.4
115.00218	2.0
119.03375	5.1
125.02328	1.9
126.62213	1.7
128.03403	2.0
131.03394	5.1
141.74361	1.8
143.03395	5.3
149.04457	3.5
155.05125	1.8
155.09398	4.0
155.10674	79.5
161.04460	9.3
175.02438	4.0
177.02034	1.8
212.90277	2.0
215.03323	2.2
219.35844	1.8
256.66885	2.0
325.00952	2.3
341.10977	5.5
342.32065	2.2
377.08994	2.4
377.18149	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35657	0.4
52.05189	0.4
55.01731	0.4
58.00470	0.6
58.99190	0.4
59.00161	0.9
59.01243	48.9
59.02454	1.1
60.01597	0.5
71.01238	18.7
72.99171	1.1
73.02807	14.6
80.36802	0.5
82.98323	0.5
82.98772	0.5
83.01238	4.4
85.02795	4.0
87.00745	1.8
88.81050	0.8
88.81491	0.7
89.02299	11.5
95.01266	1.2
99.00751	1.0
101.02304	16.3
113.02314	6.8
116.66722	0.5
119.03358	4.1
119.11204	0.5
128.03468	0.5
129.36865	0.5
155.10666	16.4
155.11891	1.0
161.04448	0.8
161.51469	1.4
173.11729	10.2
175.18092	0.7
317.16052	9.1
335.17145	42.6
336.17477	1.8
341.10974	0.9
377.18198	100.0
378.18494	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86372	0.7
58.00449	0.9
59.00066	1.7
59.01242	100.0
59.02502	1.3
65.13511	0.7
68.86607	0.7
69.03305	1.7
69.91137	0.7
70.99722	1.1
71.01241	39.7
72.88850	0.8
72.99163	1.8
73.01210	1.5
73.02805	90.1
73.04562	1.1
75.00729	1.1
75.48224	0.8
83.01236	22.6
85.02800	3.9
87.00710	1.0
89.02302	9.3
95.01243	1.5
97.02821	1.5
99.00732	1.5
101.02305	58.5
102.02689	1.0
102.05470	3.2
113.02308	12.7
115.00224	2.2
119.03358	2.5
121.86790	0.8
125.02293	2.7
128.03445	2.0
131.03375	4.0
143.03378	3.8
149.04442	5.3
155.10670	78.6
156.11008	1.6
161.04456	10.7
175.02400	3.5
203.05624	1.0
212.93045	1.0
214.87756	0.9
275.66861	1.1
341.10861	2.4
377.08359	1.5
377.17905	8.5
401.89859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48797	0.3
55.61592	0.3
58.00463	0.4
59.00064	1.9
59.01242	100.0
59.02555	1.1
60.01575	0.5
61.98685	0.9
71.01250	0.9
73.02805	0.7
74.26301	0.4
95.70602	0.4
96.94424	0.4
128.03458	1.3
145.07565	2.6
159.07916	10.5
159.09062	0.6
160.08704	18.0
161.07117	2.9
164.07109	0.6
170.07195	1.3
172.08693	4.9
174.10287	5.6
183.09245	0.5
184.08698	7.0
186.10281	14.7
188.11899	0.6
196.08759	2.0
198.10297	11.4
199.07520	0.8
200.08252	3.4
200.11861	11.0
201.12163	0.5
202.09792	8.5
209.09561	0.8
210.10300	5.7
212.11877	6.3
214.09853	1.6
216.11346	2.9
216.68759	0.7
228.11392	20.2
229.11760	1.0
230.09470	0.6
230.13004	0.9
240.11386	7.0
240.13594	0.4
241.11653	0.5
258.12479	22.3
259.13019	0.7
275.45334	0.5
276.13541	11.0
276.16339	0.7
277.13934	0.7
277.24359	0.4
305.18777	1.4
309.17044	0.4
318.14673	2.2
382.35901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00114	1.8
59.01242	100.0
59.02541	1.4
59.63627	0.4
60.01580	0.6
61.98693	0.7
63.56504	0.4
66.37671	0.5
71.01247	0.4
73.02805	1.1
80.84573	0.5
82.02845	0.6
84.04366	0.6
89.27595	0.4
91.73354	0.8
111.08010	0.6
113.48080	0.5
128.03412	4.6
130.08626	1.5
139.03203	0.4
145.07611	1.5
155.26202	0.5
158.07005	0.5
159.07927	9.3
159.09131	0.7
160.08690	14.8
161.07123	2.3
168.74484	0.5
170.07130	1.3
171.07631	0.5
172.08679	4.7
173.08136	1.2
174.08549	0.9
174.10254	6.2
184.08743	5.8
185.10744	0.6
186.10297	14.6
188.11861	0.5
196.08774	1.9
198.10294	10.4
199.07480	0.7
200.08264	3.4
200.11867	8.9
202.09773	7.5
209.09407	1.0
210.10297	7.1
212.11874	6.3
214.09811	1.1
216.11302	3.2
228.11386	17.5
229.11688	0.6
230.12932	1.7
240.11392	7.0
244.40398	0.8
258.12463	19.9
259.12869	0.8
276.13525	9.7
309.17108	0.6
317.04584	0.5
318.14639	1.5
342.23944	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66289	0.9
58.99976	1.1
59.01242	100.0
59.02372	1.6
60.01582	0.9
61.98688	2.7
128.03389	5.4
130.08629	5.1
136.71684	1.0
138.55872	1.0
145.07588	1.9
147.63722	1.0
153.06587	1.1
159.07915	7.7
160.08696	19.2
161.07133	3.3
172.08751	5.8
174.10320	6.5
184.08723	6.4
185.16547	1.1
186.10277	16.8
188.11812	1.0
196.08737	1.5
198.10266	11.7
199.10513	1.1
200.08255	4.2
200.11848	9.6
202.09769	7.7
207.26137	1.1
210.10263	5.4
212.11887	6.8
214.09785	1.8
216.11409	2.4
228.11349	16.5
230.12872	2.3
240.11446	8.3
258.12454	21.9
276.13544	9.3
276.88770	1.1
298.24829	1.7
318.14505	2.4
342.23935	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1924
Annotation	MLI-2
Peak:m/z	Relative Intensity
55.55066	0.7
59.01245	0.9
59.75304	0.3
60.52365	0.3
61.98681	0.4
63.27812	0.3
63.99695	0.3
80.96365	0.4
82.02863	0.4
85.02803	0.8
100.03902	0.4
102.05465	34.0
102.08134	0.5
103.05803	0.6
103.92956	0.4
110.17355	0.3
114.32751	0.4
128.03406	43.1
128.07147	0.6
129.01820	0.9
129.03723	0.6
146.04472	100.0
146.09044	1.2
147.04808	1.5
172.02422	5.9
183.90726	0.3
205.07520	0.4
205.15912	24.2
206.16298	0.9
219.97766	0.4
230.15364	0.6
241.09438	0.3
249.14946	2.7
288.68857	0.3
378.19244	33.8
379.19455	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1564
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.27471	0.2
50.78291	0.2
53.78770	0.3
55.66933	1.0
55.92107	0.3
58.00468	0.4
59.00113	0.3
59.01242	17.4
70.10590	0.3
71.01238	29.5
71.02893	0.3
71.04876	6.0
72.99145	0.6
73.02800	2.0
83.01246	1.2
85.02798	2.7
87.00743	0.5
88.03892	5.1
89.02299	9.3
95.01273	0.8
99.00756	0.3
99.04384	1.6
101.02302	8.7
113.02308	3.6
116.03393	1.1
116.07027	2.2
119.03352	2.9
125.02370	0.4
126.09070	0.4
128.03413	3.2
128.07028	2.2
129.05424	0.6
131.03383	0.4
142.46379	0.3
143.03339	0.4
146.03821	0.9
146.08112	58.7
146.12999	0.7
147.08412	1.0
159.06540	0.4
161.04430	1.2
174.11307	0.4
174.95818	0.3
197.66434	0.4
200.09239	1.0
218.10245	0.7
220.26093	0.5
263.11423	0.7
308.13492	6.2
337.11511	1.0
362.14694	2.0
380.15637	100.0
381.15979	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85872	0.2
52.08035	0.3
53.71672	0.3
54.15562	0.3
58.99972	1.6
59.01243	100.0
59.02345	1.4
60.01592	0.5
61.98700	0.4
63.14891	0.4
63.15208	0.4
63.15667	0.3
71.01244	0.5
73.02800	0.6
85.02815	0.4
101.02328	0.6
135.04456	0.3
137.06009	0.9
138.75391	0.3
177.01878	0.6
181.04958	2.8
220.49791	0.4
279.14514	0.5
310.74438	0.4
321.15750	0.7
343.10565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	8.9
69.17584	1.0
71.49646	1.0
86.83192	1.3
149.06004	2.1
151.07497	1.3
170.05788	3.9
171.33464	1.3
174.99176	2.4
181.66466	1.2
199.13327	3.7
205.51031	1.5
217.00237	15.7
233.19022	2.2
235.20692	1.4
251.20172	3.6
277.18088	82.9
278.18420	3.9
279.19641	25.2
295.19138	100.0
296.19418	4.8
307.16986	1.5
313.66318	1.4
363.25430	16.4
366.18378	3.6
381.20850	4.3
381.26517	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81249	1.2
54.78167	1.0
61.03988	1.2
65.02162	1.4
71.64354	1.3
72.99184	4.8
83.21410	1.3
96.95859	3.8
97.06435	7.1
98.38065	1.3
125.05952	66.3
126.06267	1.8
143.07024	67.0
255.23291	100.0
256.23666	3.7
270.05350	1.7
381.23453	4.4
381.30157	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73703	0.2
51.72243	0.3
59.01243	8.2
59.32953	0.3
59.59176	0.4
60.99168	0.7
61.98700	0.5
71.01231	3.4
72.99160	0.8
73.02807	6.4
74.08283	0.3
75.00733	1.1
85.02816	1.3
87.00735	10.0
87.01250	0.6
88.98655	6.2
89.02299	2.4
89.03836	1.4
97.02816	0.4
99.00755	0.5
101.02316	1.8
106.40955	0.3
107.04886	0.3
112.63895	0.3
113.02294	2.0
117.01804	16.4
117.03303	6.6
119.04913	1.2
127.85886	0.3
128.03334	0.4
134.03613	61.7
134.07489	0.7
135.02966	2.0
135.04501	2.6
137.02321	1.3
139.03923	0.5
143.03337	0.4
149.05971	7.0
160.01535	0.8
161.04395	1.4
163.03896	1.0
175.03932	1.0
178.02638	7.0
179.03378	0.7
179.05580	0.5
185.02060	0.5
186.26233	0.3
193.04990	100.0
194.05359	2.7
233.06645	0.4
301.71609	0.5
311.07733	8.5
323.09875	4.6
323.27972	0.5
341.10706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68806	0.4
56.12219	0.3
59.01241	6.7
60.33635	0.4
61.98720	0.5
63.51174	0.4
67.89764	0.5
71.01244	2.1
71.46866	0.4
71.99824	0.4
73.02779	0.5
83.27086	0.3
84.97391	0.4
85.02820	1.0
85.21864	0.4
89.02305	1.5
90.03607	0.4
98.61234	0.4
101.02284	1.2
105.47791	0.4
107.04896	1.1
113.02307	1.2
114.71598	0.4
119.03353	0.6
133.02847	1.1
134.03618	6.3
135.04393	85.9
136.04729	1.5
137.02354	0.7
143.03386	0.5
155.60490	0.4
159.04489	1.2
159.70570	0.5
161.04413	0.8
177.01843	0.6
178.02589	2.5
179.03407	100.0
180.03767	2.1
191.03302	0.6
193.04956	1.7
221.04506	1.6
323.07297	6.8
341.08725	1.1
357.82977	0.4
383.09799	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99318	0.2
54.36870	0.2
56.90576	0.2
59.01243	5.9
59.69221	0.2
61.03777	0.2
61.98694	2.8
70.83411	0.2
71.01239	1.4
72.97605	0.3
78.95757	2.0
79.95588	2.9
85.02798	0.5
86.01905	0.2
87.00737	0.6
89.02285	1.4
91.05408	0.4
91.74808	0.2
96.93389	1.4
96.95868	100.0
96.96751	4.1
96.98672	0.9
99.00744	0.4
101.02315	1.0
107.04882	0.5
113.02299	1.4
119.03360	0.6
134.03650	1.9
135.04393	51.6
135.08910	0.5
136.04735	1.0
138.32565	0.2
143.03352	0.4
161.04500	0.9
177.01801	0.2
179.03407	47.9
180.03775	1.0
182.06978	0.3
195.81421	0.3
215.68088	0.3
231.19402	0.2
233.06792	0.3
258.70847	0.3
263.72665	0.3
323.09848	3.5
341.10864	0.4
383.09869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71941	0.1
55.03123	0.1
59.01242	1.1
59.05180	0.1
61.56182	0.1
67.18136	0.1
69.72704	0.1
71.01250	0.2
75.00747	0.1
89.02315	0.1
89.03830	0.2
91.05404	0.3
93.03310	0.1
101.02348	0.1
106.04094	0.2
107.04881	1.2
108.02010	0.2
113.02319	0.1
117.03371	0.5
118.62155	0.1
133.02869	0.2
134.03619	3.7
135.00121	1.2
135.04391	100.0
136.04733	1.9
137.02383	0.1
161.02347	0.2
177.03929	0.2
178.96893	1.0
179.03406	97.3
180.03763	2.2
312.37378	0.1
323.09930	0.3
383.09933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00967	0.2
59.01245	2.9
59.01520	0.4
61.98692	0.3
65.08242	0.2
71.01247	0.4
74.33182	0.2
87.00744	0.4
89.02293	0.7
89.03838	0.2
91.05402	0.7
92.04879	0.2
93.03318	0.3
101.02317	0.5
107.04884	1.7
113.02316	0.7
117.03339	0.5
117.75289	0.2
119.03428	0.2
133.02858	0.4
134.03616	4.3
135.00085	1.1
135.04395	100.0
136.04741	2.0
137.02351	0.2
161.04494	0.4
178.02652	0.6
178.96890	0.9
179.03410	90.8
180.03778	2.1
323.09976	1.2
363.36340	0.2
383.09854	7.7
384.10065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94793	0.8
53.45264	0.8
57.03316	29.0
59.01241	32.7
61.98693	2.7
65.98887	0.9
71.01232	8.7
73.02796	5.5
78.53648	1.0
83.01257	3.2
84.79223	1.1
85.02798	6.0
87.00082	1.0
87.00722	1.6
89.02288	5.3
89.82338	1.1
95.88394	1.0
95.89079	1.1
96.95860	1.8
99.00761	1.7
101.02323	7.9
109.02824	2.6
113.02326	7.0
117.06972	3.3
119.03450	1.3
121.02821	27.3
122.03252	1.1
134.22763	1.3
143.03360	2.0
147.20084	1.0
153.54092	1.0
161.04463	4.8
161.05989	6.1
179.07047	100.0
180.07457	3.1
191.73032	1.1
203.05573	1.1
203.20229	1.2
267.03036	1.2
323.09787	10.6
339.08401	1.4
341.12494	5.6
383.13409	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66209	0.5
56.08194	0.5
56.49670	0.5
56.84883	0.5
57.03317	27.5
57.04321	0.5
59.01243	22.6
71.01244	7.5
71.17639	0.5
73.02801	3.0
78.58942	0.6
83.01255	1.1
85.02803	3.1
87.00743	1.3
89.02294	5.4
91.72711	1.4
93.03304	2.4
95.11646	0.6
96.95881	1.8
99.00739	1.1
101.02318	5.2
109.02805	2.1
113.02311	4.9
117.06976	1.1
119.03382	1.5
121.02826	29.6
121.18053	0.6
128.03403	1.4
132.39256	0.7
135.04388	0.9
138.05522	0.7
140.51477	0.6
143.03378	1.3
153.14568	0.7
161.04459	2.3
161.05980	2.1
164.03413	0.8
177.05313	0.8
179.00735	1.3
179.07051	100.0
180.07445	2.1
199.88350	0.6
211.54355	0.6
256.98672	0.7
281.02563	0.6
301.12881	1.7
323.09811	12.1
328.11731	0.7
341.10873	0.9
383.13379	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91745	0.1
53.04093	0.1
53.27395	0.1
59.01241	4.2
61.98692	2.4
71.01237	0.9
73.02785	0.2
75.00756	0.2
76.92033	0.1
78.95757	2.7
79.95168	0.2
79.95591	2.7
83.01250	0.2
85.02802	0.5
87.00707	0.4
89.01831	0.1
89.02289	0.9
94.94312	0.1
96.93404	1.6
96.95869	100.0
96.96749	4.5
96.98720	0.8
101.02277	0.7
105.11788	0.1
109.02828	0.2
113.02311	1.0
114.05475	0.2
119.03339	0.2
134.03627	0.6
135.04378	0.5
143.03333	0.2
146.44034	0.1
151.91925	0.1
161.04440	0.5
163.07597	0.1
179.03404	0.6
193.05020	0.7
232.04257	0.2
276.46240	0.1
323.09842	1.8
341.10922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.6
71.01240	0.6
85.40938	0.4
89.02332	0.5
93.44390	0.4
99.08013	15.7
99.10830	0.4
101.02267	0.4
113.02308	0.4
121.70702	0.4
127.07520	19.6
145.08586	65.4
145.13492	0.8
146.08928	0.9
188.95781	0.4
236.21970	0.4
242.64865	0.4
255.13144	1.1
255.23293	100.0
256.23654	3.8
323.09781	1.6
383.31653	3.4
396.60962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30730	0.4
59.01243	5.6
59.33495	0.4
71.01230	1.5
72.00760	7.3
73.02770	0.5
74.02329	8.6
75.00697	0.4
78.95745	2.0
83.01242	0.6
83.02145	0.4
85.02811	0.7
87.82290	0.4
88.98615	0.4
89.02294	3.4
93.03313	19.5
96.54166	0.4
96.95863	5.9
96.96838	1.4
101.02311	1.7
102.02595	0.6
106.04105	3.6
107.04881	1.5
109.02827	0.4
113.02290	1.0
119.03372	0.7
119.04889	14.8
121.21255	0.4
127.04958	1.1
128.03398	0.5
130.19968	0.4
134.05994	0.7
136.07559	1.9
145.06023	0.6
163.03905	9.9
180.06573	100.0
181.06926	2.0
258.96893	0.5
286.17752	2.6
324.10571	1.7
341.11008	0.9
342.11401	0.6
369.66449	0.6
383.11169	0.5
384.13077	4.2
385.13239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18870	0.1
59.01242	1.0
64.00124	0.1
65.00158	0.2
66.22157	0.1
67.17277	0.2
71.01221	0.2
77.58992	0.1
78.95765	0.3
79.95588	2.5
83.01265	0.2
96.93065	0.9
96.95868	100.0
96.98312	1.6
97.95782	0.2
98.95448	1.1
98.95997	0.1
98.96310	0.1
107.01225	0.3
125.02322	0.2
128.66058	0.1
135.04384	2.0
138.99475	0.1
151.00264	2.3
169.01292	0.2
191.00209	0.5
205.98929	0.4
233.01300	0.7
255.02698	0.2
284.03320	0.2
287.05621	1.2
299.01724	0.2
325.01242	0.3
353.61212	0.2
367.96371	0.2
384.96500	0.4
385.02527	0.5
385.21918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72654	0.4
57.03320	1.2
58.00465	0.9
58.99931	1.1
59.01242	100.0
59.02405	1.9
65.69358	0.4
69.03315	1.3
70.45727	0.4
71.01240	37.7
71.02794	0.6
72.98777	0.4
72.99165	1.4
73.01028	0.5
73.02804	44.1
73.04438	0.7
75.00742	0.6
80.43784	0.5
82.67184	0.5
83.01242	11.6
84.27673	0.5
85.02804	10.1
87.00753	1.5
89.02297	24.3
95.01264	2.8
97.01832	0.5
97.02824	0.7
99.00755	1.3
101.02303	41.9
101.04935	0.6
102.02660	0.9
113.02305	23.8
119.03485	7.8
119.04890	46.8
119.08280	0.7
120.05266	1.1
121.02840	1.0
125.02374	1.3
131.03369	2.5
137.05981	2.8
143.03334	3.4
145.54890	0.6
149.04422	3.0
155.03438	1.2
161.04446	8.8
179.05482	2.6
181.05032	0.5
184.84396	0.5
203.05537	1.0
221.06572	0.6
261.79904	0.5
281.10306	33.6
282.10834	1.4
299.11401	12.6
300.11710	0.9
341.12494	5.2
357.73334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86203	0.4
59.01240	14.8
60.01570	0.2
61.98694	2.5
76.32304	0.2
81.03326	0.4
86.61899	0.2
88.16537	0.2
89.64508	0.2
93.03319	0.5
93.06988	0.3
95.04877	0.8
96.95874	2.5
96.96828	0.2
97.95785	0.2
98.95448	2.2
98.96282	0.5
99.00744	0.3
107.04885	0.4
108.02023	0.2
108.47812	0.2
109.02812	6.2
109.06451	3.9
116.16374	0.2
119.04894	4.3
121.02825	7.2
122.03638	1.5
135.04395	5.0
136.05180	0.2
137.05959	32.3
138.06325	0.9
181.04977	100.0
181.11215	1.1
182.05318	3.5
196.89064	0.2
219.75911	0.2
223.06337	0.2
271.75397	0.2
325.09354	0.7
343.10294	0.8
385.11411	9.1
386.11871	0.5
408.40417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95815	0.3
59.01238	5.2
64.96022	0.3
71.01238	0.3
75.00726	0.6
88.98651	0.4
90.72739	0.5
101.02299	0.5
105.03343	0.4
107.04858	0.4
114.05450	0.4
117.03326	0.5
119.01778	1.0
119.04890	100.0
119.08494	1.0
120.05212	2.3
121.02837	0.5
122.03629	0.6
123.04380	0.8
128.03413	1.0
133.02853	4.3
135.02875	2.0
140.38864	0.3
151.03909	0.4
153.28056	0.4
163.03903	97.4
163.09679	1.0
164.04247	2.1
166.50027	0.3
179.04095	0.3
195.02895	3.5
205.05200	0.6
234.61929	0.3
236.80687	0.5
325.09241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00126	1.6
59.01242	100.0
59.02523	1.5
60.01575	0.4
60.41968	0.1
68.44562	0.1
71.01245	0.4
73.02811	0.9
83.01248	0.2
84.05109	0.2
85.99778	0.1
89.02313	0.3
99.87817	0.1
101.02329	0.8
113.02347	0.4
188.17635	0.2
255.10049	0.2
324.84494	0.2
379.72055	0.2
394.90726	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59127	0.4
56.41031	0.4
58.99916	0.8
59.01241	100.0
59.02411	1.9
60.01577	0.8
69.03331	0.4
71.01237	9.8
72.65103	0.4
72.99132	0.6
73.02820	1.0
81.10799	0.4
83.01257	1.3
83.04886	0.7
85.02804	4.0
89.02297	11.7
91.73325	0.6
95.01244	0.7
96.41100	0.5
97.02813	0.7
97.96026	0.5
98.73587	0.4
101.02309	5.3
106.04098	7.1
107.04896	2.3
107.08530	1.5
111.04387	1.2
113.02302	5.7
119.03372	2.7
119.04917	0.8
121.02743	0.6
121.06456	9.6
125.02292	0.5
133.06483	0.9
133.10086	0.7
135.07991	0.6
135.11667	4.3
137.52005	0.5
138.03101	1.2
143.03400	0.8
159.11653	2.2
161.04430	1.2
161.09621	10.8
162.09941	0.7
179.05460	1.2
179.10684	62.4
179.16840	0.9
180.11073	1.7
203.10686	6.7
205.08601	1.4
215.10773	0.5
223.09708	16.1
233.63789	0.5
236.70770	0.5
247.09749	1.3
250.15987	0.6
265.10736	1.3
277.10855	1.0
299.37494	0.5
325.17603	1.6
385.22171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02890	0.4
58.99923	1.2
59.01241	100.0
59.02402	1.8
60.01568	0.8
63.11993	0.5
63.57185	0.9
71.01247	2.5
73.02814	0.9
85.02816	1.3
89.02306	1.4
96.95860	0.6
96.99795	0.9
101.02325	1.6
113.02290	2.7
121.02856	1.8
128.03403	0.7
163.07591	0.5
168.08444	4.1
254.12271	1.3
266.92392	0.6
341.16061	0.6
385.14655	1.6
385.22440	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	25.8
61.98685	0.8
71.01265	0.8
76.64962	0.7
80.08551	0.8
81.10432	0.7
83.04880	0.9
86.29572	1.0
87.65226	0.8
94.22314	0.9
95.89967	0.8
129.00084	0.9
134.67780	0.7
138.87056	0.8
164.56511	0.9
197.35829	0.8
205.19617	2.1
259.24326	7.4
266.40750	0.9
292.38470	1.0
298.77216	0.8
303.23303	100.0
304.23636	5.9
334.04059	1.1
385.23645	17.3
385.28375	1.5
386.24194	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55825	0.5
52.30320	0.4
54.42089	0.4
56.60770	0.4
59.01231	0.9
61.98684	1.0
65.11936	0.5
71.01236	0.8
71.35949	0.4
74.02316	0.8
82.02834	4.2
82.14938	0.4
84.04402	8.3
87.00725	0.8
89.02298	1.0
96.95861	1.7
101.07065	1.1
109.07586	1.4
110.02284	0.6
112.03893	0.6
119.04910	0.6
122.03609	0.8
123.04375	0.6
127.05001	1.2
128.03409	100.0
128.07327	1.2
129.03778	1.6
130.44287	0.5
135.04401	0.7
139.00294	0.6
152.07076	1.0
168.11394	0.9
171.78412	0.5
178.50650	0.5
179.71892	0.5
180.06630	2.8
181.06952	0.5
195.07660	1.2
213.08679	0.5
239.06721	29.8
338.94000	0.6
341.10861	1.0
368.11050	0.6
386.12057	8.9
387.12073	0.6
393.71146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98326	1.2
59.01233	3.8
61.98683	3.3
68.03925	1.3
82.45273	1.3
84.04405	5.2
102.05452	14.5
108.83556	1.5
114.96258	1.5
122.03584	2.0
128.03412	30.9
128.05876	1.6
146.04472	2.4
171.76520	1.6
195.17432	12.2
233.72276	1.7
239.16504	48.4
239.18968	2.3
257.17575	80.1
258.18155	1.9
280.22787	6.6
298.23862	6.0
324.21820	3.0
342.22809	10.4
346.21246	1.5
368.20773	4.7
386.21896	100.0
387.22061	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80816	0.2
59.00166	0.6
59.01241	43.4
59.02485	0.7
68.18581	0.2
71.01232	2.2
73.02793	0.6
74.73550	0.2
80.11682	0.2
82.02813	0.2
83.01253	0.5
85.02369	0.2
85.02795	1.5
87.00710	0.3
93.03309	1.2
95.01263	0.4
96.84165	0.2
99.04379	1.0
101.02299	1.4
107.04880	0.5
108.02023	3.0
109.02818	2.8
111.00728	0.8
113.02299	1.0
114.28714	0.2
121.02832	2.2
121.06451	0.3
122.03602	68.7
122.07299	0.7
123.00754	1.3
123.04389	64.5
123.08137	0.7
124.01525	43.5
124.04671	0.8
125.01897	0.7
128.03401	7.7
130.08606	2.9
135.04408	0.5
137.02327	2.9
137.05901	0.5
139.00255	1.3
139.03886	10.4
140.01019	0.6
147.04446	0.5
149.05968	0.5
150.03058	0.3
161.04424	1.7
165.05481	2.5
168.00540	54.9
168.06476	0.6
169.00906	1.3
177.05489	0.7
182.02199	0.4
183.02904	100.0
183.09689	0.8
184.03206	2.2
197.12892	0.3
197.58385	0.3
203.05550	2.5
207.06570	0.5
223.10814	0.3
232.63506	0.2
239.06746	0.5
241.11938	0.7
259.12918	1.2
267.08740	1.5
285.09808	0.3
315.94220	0.4
327.10825	3.3
370.16107	0.4
380.18344	0.2
387.09262	0.6
388.17392	1.1
410.68097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.95145	0.6
57.03317	1.4
58.00459	0.8
58.19721	0.7
59.00003	1.2
59.01243	100.0
59.02370	1.4
60.01596	0.7
69.03304	1.0
70.99593	0.6
71.01241	36.2
71.04878	0.8
72.99181	1.5
73.02806	44.3
74.03147	0.7
81.63850	0.6
82.97368	0.7
83.01242	11.6
83.04839	0.8
83.20676	0.6
85.02805	7.3
87.00736	2.6
89.02304	15.5
95.01270	1.8
97.02804	1.0
97.38262	0.7
99.00772	1.8
101.02306	41.2
113.02307	13.4
119.03379	6.8
120.01156	0.8
121.10103	7.1
122.03596	6.9
123.04401	5.2
125.02317	1.3
128.03448	2.3
131.03409	2.1
139.11201	0.9
143.03395	2.6
149.04436	1.5
157.49461	0.7
158.80618	1.3
161.04466	5.9
165.09128	13.1
175.98204	0.7
179.05519	1.6
182.98853	0.6
183.10185	3.8
229.16258	0.7
249.05569	1.2
301.16571	2.2
327.14484	7.0
345.15585	13.2
364.17438	0.8
387.16638	51.9
388.17087	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.84827	0.4
51.42573	0.3
57.03316	0.7
58.00454	1.4
59.00115	1.8
59.01241	100.0
59.02523	1.5
62.76620	0.4
69.03310	1.9
70.99747	0.8
71.01237	46.8
71.02895	0.7
72.01578	0.5
72.99165	1.9
73.01253	1.4
73.02802	90.7
73.04566	1.1
74.03130	0.7
75.00738	0.8
79.09148	0.4
79.90411	0.4
80.72555	0.3
81.03313	1.3
83.01236	24.6
84.02049	0.4
85.02799	7.5
87.00741	3.0
89.02290	17.2
95.01245	1.8
97.02805	1.7
99.00733	1.9
99.04397	0.8
100.99731	0.8
101.02299	73.0
101.05159	0.9
102.02656	0.9
105.46523	0.5
113.02302	12.9
119.03358	4.8
121.10130	0.9
122.03596	2.4
123.04358	1.4
125.02328	2.4
131.03366	5.0
139.11183	1.2
143.03375	5.1
149.04425	3.5
155.03378	2.1
161.04460	11.4
165.09105	74.8
165.15019	0.9
166.09457	2.1
179.05557	0.6
180.75394	0.4
183.10094	0.4
203.05548	0.9
221.06601	0.6
327.14566	4.7
345.15579	5.5
360.19305	0.4
364.92615	0.5
387.16617	37.9
388.17142	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81426	17.8
59.01241	100.0
61.98716	20.6
64.44991	19.9
79.21663	21.7
80.93758	20.3
122.03642	25.9
129.16623	17.5
141.01578	40.6
221.84828	20.8
341.11252	22.3
376.00705	24.5
378.87711	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.5
61.97485	1.6
61.98693	100.0
62.00074	1.6
62.98365	0.2
68.02496	0.2
82.02837	0.4
84.04364	0.3
115.79623	0.3
116.62751	0.3
122.03626	2.1
123.04388	1.2
124.04749	0.4
128.03406	4.8
129.04677	0.3
130.08571	1.6
131.52997	0.3
158.07649	0.3
164.59723	0.3
176.63420	0.3
197.13023	0.5
241.11949	0.7
252.29070	0.3
259.13007	0.6
273.75665	0.3
319.75180	0.3
370.16058	0.4
388.17017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65816	0.2
51.66051	0.2
56.53274	0.2
58.02857	0.3
59.00965	0.3
59.01242	3.1
59.09999	0.2
60.01569	0.3
70.02835	0.2
70.44338	0.2
71.01246	0.4
74.02311	0.6
77.33149	0.2
81.18340	0.2
82.02843	3.4
84.00739	0.2
84.04394	1.9
87.04892	0.2
101.07085	0.4
108.02057	0.2
109.03946	0.7
109.07558	0.3
110.02371	0.3
112.03916	0.8
120.84734	0.2
122.03608	5.1
123.03915	1.7
123.04380	2.9
124.04724	2.0
125.55971	0.2
127.05005	2.2
127.99706	1.3
128.03406	100.0
128.07651	0.8
129.03751	1.7
130.08609	36.3
130.12923	0.5
131.08961	0.7
133.28046	0.3
141.10240	1.2
146.04491	0.5
151.08672	0.4
165.05544	0.3
169.13293	0.3
171.14929	0.3
179.11803	0.9
180.10254	0.3
195.07683	1.0
197.12883	8.2
209.66568	0.2
215.13989	0.6
221.05673	0.2
223.10841	2.7
239.06731	2.5
241.11920	19.5
242.12215	0.4
259.12994	13.2
260.13449	0.4
308.16226	0.9
326.17184	0.7
328.88736	0.3
352.15173	3.3
370.16208	7.0
371.16412	0.6
388.17288	16.8
389.17621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1728
Annotation	Glu-Glu-Ile
Peak:m/z	Relative Intensity
50.12251	0.2
51.04761	0.2
51.65812	0.4
55.20748	0.2
59.01236	0.4
62.56480	0.2
64.01932	0.2
70.02841	0.5
74.00477	0.2
74.02314	0.4
77.49402	0.3
82.02835	2.9
82.41418	0.3
82.77953	0.3
84.04399	2.2
85.37212	0.3
93.76175	0.3
100.03905	0.3
109.03944	0.7
109.07606	0.3
112.03921	0.8
123.04011	0.3
127.04987	2.6
127.99347	1.1
128.03407	100.0
128.06909	1.1
129.03763	1.8
130.08612	37.2
130.12302	0.6
131.08919	0.6
141.10246	1.4
146.04468	0.5
151.08705	0.5
160.55743	0.2
169.09712	0.4
171.14874	0.5
179.11868	0.7
180.10165	0.4
195.07700	1.1
197.12891	9.1
198.13225	0.4
215.13919	0.7
216.65172	0.3
223.10869	2.7
224.11150	0.3
239.06657	2.6
241.11913	23.6
241.71719	0.3
242.12167	0.7
259.12994	14.2
260.13348	0.8
282.18417	0.4
283.57013	0.3
308.16254	0.9
352.15146	3.5
368.33298	0.3
370.16165	8.0
388.17297	17.0
389.17700	1.3
389.22437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65817	0.4
58.02835	0.4
58.64161	0.2
59.01242	6.6
60.01569	0.8
66.38744	0.2
69.79414	0.2
71.01218	0.3
74.02319	0.7
82.02832	2.6
84.04411	2.0
99.04343	0.3
101.07077	0.5
108.02001	0.3
108.24965	0.3
109.03924	0.4
109.07564	0.3
110.02351	0.3
112.03927	0.6
122.03613	6.8
123.00771	0.2
123.04362	5.6
124.01541	5.9
124.04720	3.7
125.01866	3.2
127.05001	1.8
127.99825	1.1
128.03406	100.0
128.07510	1.0
128.10692	0.4
129.03749	1.9
130.04889	0.5
130.08609	36.9
131.08971	0.4
137.02328	0.4
139.00259	0.3
139.03932	1.5
140.04204	1.1
141.02527	0.3
141.10188	0.8
146.04433	0.4
151.08604	0.4
158.26160	0.2
167.93597	0.3
168.00537	5.8
169.00890	4.5
171.14917	0.4
171.39893	0.3
179.11929	1.2
183.02917	10.3
184.03241	10.5
185.03445	0.3
195.07713	0.8
197.12897	5.4
215.13992	0.9
223.10886	2.5
239.06703	2.9
241.11925	11.3
242.12250	0.4
259.12997	16.7
260.13318	0.8
281.31253	0.3
308.16061	0.5
326.17502	0.5
328.11047	0.3
352.15170	3.6
370.16217	7.2
388.17276	17.7
389.17545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00969	1.0
59.01240	14.0
65.03788	0.5
71.01244	2.1
73.02798	1.9
78.95795	0.7
83.01221	0.8
85.02796	0.8
85.53330	0.6
86.98714	1.3
87.00732	100.0
87.02948	1.3
88.01064	1.1
89.02319	0.9
91.73422	1.1
93.01109	1.2
93.03313	77.5
93.05774	1.4
94.03668	0.9
101.02294	2.4
109.02783	1.2
111.04404	1.3
113.02330	1.0
117.03317	2.9
117.36593	0.7
119.01682	0.6
119.04895	18.9
124.96015	0.7
125.47423	0.6
128.03430	1.2
135.04393	36.1
137.02321	68.6
138.02698	2.0
144.55261	0.6
145.02820	6.2
163.02519	1.3
163.03902	27.0
167.10690	1.0
178.06413	0.7
179.03409	10.2
184.05208	6.4
185.05956	5.5
206.99596	0.6
207.02983	1.1
213.09155	4.9
221.72331	0.7
229.08740	0.7
239.07263	0.9
257.08282	3.1
272.72119	0.8
338.33453	0.7
347.17258	1.9
351.94656	1.0
389.18106	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99256	0.4
58.02839	1.1
59.01232	0.6
70.02840	5.6
71.01247	1.4
71.02380	1.4
72.00778	1.5
74.02351	1.4
82.02851	2.6
84.04407	3.6
85.76997	0.5
86.02364	1.0
87.05485	0.6
88.03880	0.8
89.02303	0.8
95.02361	3.0
96.00773	7.3
99.05493	0.8
101.02315	0.7
101.07068	1.6
102.05457	0.6
109.03943	6.1
111.01875	1.1
112.03901	1.7
113.03426	13.0
114.01830	18.3
115.00217	0.9
121.49749	0.5
125.03437	1.1
127.05006	28.8
127.08731	0.6
128.03409	100.0
128.07243	1.6
129.03720	1.6
131.04498	28.1
145.06079	17.7
145.09752	0.7
146.04521	0.8
146.06343	0.6
151.08723	0.6
155.08195	0.9
168.11330	0.7
181.06139	0.7
189.08704	2.0
193.42409	0.6
194.09293	3.4
195.07683	0.6
198.08842	0.9
199.07098	1.2
212.10286	1.4
216.09804	1.4
216.12099	0.6
224.06723	7.1
238.08278	3.4
239.06705	1.0
242.07799	27.8
243.06165	2.4
243.08240	0.6
249.51714	0.5
256.09482	3.5
260.08896	12.2
274.10577	3.5
309.12057	0.8
336.08453	0.8
343.11487	0.6
353.11005	3.4
371.12088	8.3
371.16187	0.7
372.10443	3.3
389.13086	25.2
389.16925	1.4
390.13611	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02838	2.2
59.01247	0.6
59.71242	0.4
61.63539	0.4
70.02840	5.9
71.01232	1.1
71.02349	0.9
71.03490	0.4
72.00778	0.9
74.02338	0.6
74.74342	0.3
78.95766	0.5
82.02834	2.7
84.04409	3.1
86.02320	1.3
87.05533	0.5
88.03885	0.6
89.02288	0.9
95.02361	2.2
96.00768	7.5
96.95895	0.9
98.02304	0.8
99.05481	0.5
101.02327	0.5
101.07073	1.8
104.47380	0.4
107.02348	0.4
108.47799	0.4
109.03939	6.8
109.07571	0.5
111.01889	1.0
112.03910	1.1
113.03434	11.5
113.04232	0.6
114.01836	16.4
115.00213	0.4
123.05523	0.6
124.63499	0.4
125.03431	0.8
127.05006	27.1
128.03407	100.0
128.07271	1.5
129.03746	2.0
131.04498	27.1
132.02943	0.6
132.04808	0.5
145.06075	19.0
146.04453	1.2
146.06357	0.5
150.89198	0.5
151.08661	0.6
155.08151	1.4
166.06297	0.5
180.07835	0.6
181.06116	1.3
189.08694	0.7
194.09259	3.4
195.07710	0.7
198.08798	0.8
199.07228	0.9
212.10335	1.8
216.09895	1.4
224.06715	7.1
225.05217	1.0
238.08247	2.4
239.06770	1.1
242.07816	25.5
243.06154	1.5
256.09372	3.4
260.08890	13.9
261.09027	0.5
262.57071	0.5
274.10513	3.9
310.02182	0.5
310.10410	0.7
336.08514	0.8
343.11533	1.0
353.11179	2.3
354.09348	0.7
371.12091	8.9
372.10236	3.1
389.13162	22.5
390.13031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.6
56.40998	0.8
57.03306	2.5
58.99935	1.2
59.01241	100.0
59.02398	2.3
60.09378	0.9
62.33398	0.7
67.05573	0.8
68.99649	1.0
69.03297	1.0
71.01239	30.4
72.99171	1.2
73.02801	17.0
77.73904	1.0
83.01234	7.5
84.94987	1.3
85.02802	18.6
85.53986	0.9
85.99931	1.4
87.00721	2.9
89.02290	5.0
93.56167	0.8
95.01250	1.5
97.02763	0.9
99.00729	5.6
101.02303	32.6
102.02648	0.9
109.01542	2.0
110.21233	1.0
111.00742	1.4
113.02305	15.1
119.03357	2.2
128.03447	1.5
128.58501	0.9
129.01773	1.1
143.03358	2.6
143.55064	0.8
158.27982	2.1
159.02887	2.1
161.04468	8.3
167.10756	4.6
184.34148	0.8
185.11739	5.0
250.07178	1.7
303.18134	22.4
329.16043	13.0
330.16791	2.2
347.17117	21.3
389.18170	80.2
390.18915	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
56.49558	1.0
58.99988	1.6
59.01241	89.0
59.02357	1.6
67.88789	1.1
69.03306	1.5
71.01236	38.7
73.02804	73.1
78.95763	1.8
80.04045	1.2
82.48079	1.4
83.01241	17.7
85.02789	5.7
87.00710	2.6
89.02291	14.4
96.32001	1.3
101.02302	52.2
113.02298	10.8
114.09747	1.4
119.03367	3.2
125.02312	3.2
128.03438	2.2
131.03375	2.7
143.03433	2.4
144.81508	1.4
158.26472	1.4
158.27853	2.0
161.04472	7.5
167.10672	34.6
170.27135	1.5
185.11758	6.2
280.93631	1.5
316.53876	1.6
328.57260	1.8
329.16125	3.3
347.17188	10.9
389.18213	100.0
390.18533	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.4
57.03322	1.3
58.00444	0.8
59.00104	1.6
59.01242	100.0
59.02515	1.5
60.01583	0.6
60.98876	0.7
69.03305	0.8
71.01241	34.7
72.88372	0.6
72.99178	0.7
73.01215	0.7
73.02804	42.9
73.09306	0.7
83.01241	13.5
83.01707	1.2
85.02803	14.2
85.99934	1.1
87.00745	3.1
89.02295	10.5
90.02625	0.7
95.01257	1.9
96.95868	2.2
98.95443	2.2
99.00716	4.2
101.02300	38.5
101.05158	0.7
110.99969	0.6
111.00703	0.7
113.02304	12.5
119.02590	0.6
119.03333	3.4
125.02306	1.7
129.01692	0.8
131.03374	1.5
135.61777	0.7
143.03404	2.2
143.18779	0.7
158.27940	2.1
159.02901	1.2
161.04446	9.2
167.10683	27.9
168.11079	1.3
185.11745	3.0
187.95886	0.7
227.29640	0.9
249.48410	0.7
303.18143	20.3
304.18552	1.0
327.69333	0.8
329.12289	1.1
329.16013	7.0
330.16550	0.9
347.17117	19.8
348.17288	1.5
389.18204	95.8
390.18616	7.7
400.45044	0.7
408.68530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03518	0.4
54.00906	0.5
55.01744	0.6
57.03296	0.9
57.66590	0.5
58.00442	0.7
59.00027	1.0
59.01242	54.6
59.02592	0.6
60.01578	0.9
62.83918	0.4
63.20136	0.5
69.03310	0.7
70.00044	0.6
70.52907	0.6
71.01239	23.5
72.99166	1.3
73.02805	11.7
77.51607	0.5
83.01253	4.8
85.02811	8.8
87.00752	3.6
89.02299	8.5
91.26498	0.5
91.81785	0.8
91.82281	0.8
95.01230	1.5
99.00755	1.9
101.02302	18.1
113.02303	8.5
119.03361	2.3
124.01545	0.7
125.02320	1.2
128.03398	1.2
129.07281	1.3
139.11176	1.5
141.12746	0.7
143.03378	1.0
158.27975	1.3
161.04485	2.0
167.10652	6.1
170.84653	0.7
173.06325	1.6
185.11752	19.2
186.11945	0.7
205.83759	0.6
209.04472	0.6
303.18311	1.6
305.06519	0.6
329.12354	1.1
329.16077	18.5
347.17126	57.1
348.17346	3.8
375.43729	0.6
389.18204	100.0
390.18570	6.7
390.72083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92173	0.3
59.00142	1.6
59.01244	100.0
59.02514	1.5
60.01574	0.5
61.74305	0.2
61.98688	0.3
62.29557	0.3
65.58113	0.2
67.28763	0.3
70.96036	0.3
84.71381	0.3
91.73279	0.3
98.22520	0.3
103.97953	0.3
116.18207	0.3
209.35432	0.4
255.23463	0.3
262.81393	0.4
283.27844	0.3
318.54892	0.4
369.59833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03312	1.0
59.00007	1.8
59.01242	100.0
59.02311	1.2
60.01575	0.7
61.98702	0.6
69.03313	0.7
70.99623	0.6
71.01240	23.4
71.04884	0.8
72.99183	1.2
73.02804	19.4
75.00723	0.9
81.06941	1.8
83.01241	6.0
85.02808	7.3
87.00741	1.6
89.02299	15.0
89.04298	0.4
95.00726	0.4
95.01266	1.6
96.95861	2.3
97.02781	0.5
99.00752	1.3
101.02301	23.4
103.48430	0.4
113.02307	8.8
113.05936	2.1
115.08578	0.7
118.49158	0.4
119.03377	5.0
125.02314	1.1
125.05959	3.2
125.09634	1.5
131.03398	1.3
142.19452	0.4
143.03423	1.4
143.07037	0.8
149.04427	0.9
159.02898	0.5
161.04453	5.0
169.08609	7.0
170.86029	0.7
179.05566	2.2
186.12463	0.7
194.92003	0.5
200.07103	0.4
245.38948	0.4
261.13437	15.3
262.13776	0.4
287.11380	1.0
305.12408	4.4
331.14020	0.6
331.37125	0.4
347.13477	21.3
348.13989	1.4
349.15228	1.3
360.82840	0.4
391.16000	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03312	1.0
59.00007	1.8
59.01242	100.0
59.02311	1.2
60.01575	0.7
61.98702	0.6
69.03313	0.7
70.99623	0.6
71.01240	23.4
71.04884	0.8
72.99183	1.2
73.02804	19.4
75.00723	0.9
81.06941	1.8
83.01241	6.0
85.02808	7.3
87.00741	1.6
89.02299	15.0
89.04298	0.4
95.00726	0.4
95.01266	1.6
96.95861	2.3
97.02781	0.5
99.00752	1.3
101.02301	23.4
103.48430	0.4
113.02307	8.8
113.05936	2.1
115.08578	0.7
118.49158	0.4
119.03377	5.0
125.02314	1.1
125.05959	3.2
125.09634	1.5
131.03398	1.3
142.19452	0.4
143.03423	1.4
143.07037	0.8
149.04427	0.9
159.02898	0.5
161.04453	5.0
169.08609	7.0
170.86029	0.7
179.05566	2.2
186.12463	0.7
194.92003	0.5
200.07103	0.4
245.38948	0.4
261.13437	15.3
262.13776	0.4
287.11380	1.0
305.12408	4.4
331.14020	0.6
331.37125	0.4
347.13477	21.3
348.13989	1.4
349.15228	1.3
360.82840	0.4
391.16000	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32441	1.2
53.31577	1.2
53.36826	1.2
58.99481	1.7
59.01245	20.0
59.70684	1.4
70.68211	1.6
71.01252	3.3
71.99007	5.3
72.99797	2.1
73.02813	2.8
74.00552	32.0
74.02343	3.9
76.91317	1.5
82.02839	29.8
82.03270	1.7
84.04413	2.1
86.02357	2.9
88.03902	2.3
89.02320	1.6
98.00597	2.3
99.00777	1.8
101.02360	2.3
107.06007	8.4
122.04810	1.5
125.07078	26.7
127.05004	3.5
127.08672	1.7
128.03413	77.6
129.03650	1.6
136.00642	3.4
141.04839	4.6
145.47842	1.5
147.91473	1.6
151.05038	13.2
154.09779	1.7
169.06091	52.6
169.07448	3.2
171.07733	3.7
183.56950	1.5
185.03824	47.5
203.04926	15.5
229.02856	100.0
230.03223	2.2
247.03937	8.2
256.06140	2.2
256.66577	1.7
270.11154	1.8
271.08542	2.8
391.16257	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15081	0.4
57.03300	1.7
58.02826	1.0
59.01224	2.0
61.61939	0.3
61.98682	0.6
71.01257	0.4
74.02328	2.0
76.31122	0.4
82.02849	2.0
84.00021	0.4
84.04413	2.5
85.02828	0.5
86.01826	0.8
86.02331	11.4
88.03897	0.8
96.95869	15.1
99.08039	0.5
101.02277	0.5
102.98447	1.2
109.06392	0.5
109.07565	0.9
120.01120	16.3
121.02845	0.6
124.44075	0.4
127.05005	3.1
127.08637	10.1
127.99651	1.3
128.03406	100.0
129.03777	3.1
129.09091	7.7
130.03902	1.5
130.08612	2.0
131.08939	1.1
132.09059	0.8
134.03613	15.2
135.02867	0.5
137.02321	1.7
139.03911	0.5
149.05952	4.9
153.06590	5.7
171.01753	0.6
171.07655	29.3
172.07980	0.5
175.07878	0.8
178.02621	6.9
179.04575	1.4
183.99107	0.4
193.04994	28.6
194.05360	0.9
197.12746	0.4
213.03468	0.5
215.06688	4.2
231.04402	7.3
243.12584	0.9
244.12820	0.4
244.98877	0.4
249.05498	38.2
250.05771	0.6
256.91833	0.4
273.51230	0.5
390.18033	0.6
391.08258	0.7
391.15881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
58.57859	0.2
59.00081	2.0
59.01245	100.0
59.02598	0.7
59.12635	0.2
60.01584	0.7
61.98695	0.3
65.03810	0.3
68.52830	0.2
70.32625	0.2
71.01243	11.2
71.04913	0.4
72.01582	0.2
72.99171	0.3
73.02010	0.3
73.02807	4.6
75.00758	0.3
82.31488	0.2
83.01243	1.9
85.02808	6.4
87.00735	0.7
89.02299	1.5
95.01277	0.8
99.00749	2.0
100.81275	0.3
101.02309	8.5
101.02957	0.5
102.05475	0.2
111.00722	0.3
113.02310	4.8
125.02211	0.2
125.05938	0.3
125.09599	0.3
127.03888	0.3
130.22803	0.2
130.45975	0.2
131.64211	0.3
139.82893	0.3
143.03452	0.3
143.10649	1.4
159.02928	1.3
161.04459	4.3
188.00845	0.3
203.91521	0.2
235.34389	0.3
287.15161	0.8
288.61346	0.3
305.16080	8.3
306.16467	0.4
347.17343	0.7
391.16144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24379	0.6
57.03315	0.8
58.00470	0.9
59.00054	1.3
59.01244	74.4
59.02548	1.0
60.01552	0.8
61.98675	1.3
69.03313	1.1
71.01244	20.5
72.99154	1.0
73.02808	38.6
75.00703	1.0
76.51395	0.8
81.06956	5.6
83.01244	11.0
85.02815	4.7
87.00706	1.2
89.02303	6.8
96.95898	1.8
99.00760	1.1
101.02305	34.0
113.02268	7.8
113.05948	100.0
114.06302	1.1
119.03345	3.2
119.81434	0.8
125.02287	1.3
125.05931	2.6
131.03365	1.9
135.34326	0.8
143.03381	2.1
149.04457	2.6
151.07481	1.4
155.03395	1.3
157.76918	0.9
161.04465	7.1
169.08612	3.8
187.09659	1.7
203.05603	0.8
221.06828	1.0
249.05441	1.3
261.13516	1.5
305.12506	1.3
305.16061	1.4
331.14014	4.0
344.56781	0.8
347.13437	9.2
349.15085	10.4
367.45490	1.1
391.16101	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93196	1.4
55.01748	2.2
55.04794	1.6
55.53652	1.5
56.64262	1.7
57.03296	2.0
59.00048	2.3
59.01242	92.4
59.02552	1.6
61.98685	3.1
63.85550	1.7
66.34227	1.9
67.73278	1.6
68.91541	1.7
71.01243	28.9
73.02807	27.4
74.41296	1.6
75.00719	2.1
81.03280	2.4
83.01238	6.2
85.02779	10.1
87.00711	4.9
89.02313	11.8
92.38474	1.8
97.26566	1.9
101.02295	31.4
101.88554	2.0
105.01802	9.6
113.02291	11.9
117.62562	2.0
119.03355	3.5
125.09592	9.6
128.03416	5.4
142.98997	3.1
143.03381	2.6
153.65897	2.1
161.04425	4.1
169.08606	22.6
186.97983	6.4
187.09666	6.8
194.17865	2.1
214.10924	2.0
246.48711	2.5
256.64154	2.0
262.71362	2.1
265.53821	2.3
276.16901	2.0
303.46619	2.3
305.16293	10.9
316.93198	2.3
331.13956	12.0
349.15085	28.6
367.69727	2.7
389.16803	2.5
391.16107	100.0
392.16376	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24519	0.1
59.00074	2.0
59.01241	100.0
59.02592	0.9
60.01574	0.7
71.01255	0.5
73.02795	0.3
91.74391	0.1
101.02322	0.4
113.02318	0.2
158.42931	0.2
159.95123	0.2
167.93823	0.2
289.16547	0.2
291.70041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01734	0.8
57.03302	0.6
59.00053	0.5
59.01240	37.3
61.98668	0.5
62.37617	0.8
62.37886	0.6
62.66165	0.4
65.39300	0.7
67.60314	0.6
69.03285	0.8
71.01238	16.5
72.99145	0.9
73.02800	5.1
83.01242	3.7
84.01540	0.5
85.02789	5.8
85.99929	0.7
87.00730	2.8
87.08594	0.5
89.02301	2.7
92.32223	1.0
92.32806	1.0
95.01230	1.4
97.02810	1.3
99.00713	1.8
101.02295	9.4
102.05402	0.5
112.01487	0.9
113.02292	3.6
120.91984	0.5
125.02274	1.4
137.26587	0.5
138.15132	0.5
141.12732	7.3
143.35057	0.5
157.76070	0.7
169.12218	1.8
187.13316	53.0
188.13647	1.5
198.46468	0.5
199.13303	1.3
201.14842	1.9
221.21071	0.6
229.14404	1.5
270.13928	0.7
303.95181	0.5
331.17633	29.1
332.18005	1.7
349.18683	80.3
350.18823	3.8
390.18784	0.6
391.19766	100.0
392.20038	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1717
Annotation	Acetylgynuramine
Peak:m/z	Relative Intensity
59.01245	16.3
61.98686	4.5
62.69537	1.4
67.87984	1.5
71.01225	4.0
73.02792	2.0
77.34180	1.8
84.04375	5.1
89.02266	3.1
95.04877	1.9
102.05466	68.1
128.03410	86.0
135.04352	2.5
136.04181	2.8
136.05177	42.2
146.04474	25.0
149.05963	14.5
150.06689	5.2
151.07498	7.2
162.06714	4.3
162.22403	1.8
168.88760	2.4
187.13289	7.2
188.13586	2.6
213.39134	1.9
219.13849	37.7
248.00879	2.1
263.10263	2.6
263.12900	39.4
305.11993	3.9
331.17694	4.6
332.17828	5.1
348.17767	6.4
349.18509	7.3
350.19037	10.2
374.15933	12.9
391.19611	6.7
392.16962	100.0
393.17307	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	44.3
59.76974	11.0
61.98694	93.6
65.86302	14.0
75.92871	13.3
96.08894	13.9
129.10237	31.7
152.07205	19.2
155.11748	14.3
169.09691	28.1
171.11339	55.1
244.43314	16.9
247.03148	17.1
255.90570	19.6
265.69049	15.9
352.29312	23.2
356.21841	100.0
381.18576	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.9
57.03323	1.2
58.00459	1.0
59.00041	1.4
59.01244	94.4
60.01587	1.0
61.98684	1.2
71.01241	35.1
72.99162	2.1
73.02807	38.2
74.02325	0.9
78.46291	0.8
78.59722	0.7
83.01244	10.0
85.02805	11.3
85.06451	1.2
87.00737	3.5
89.02302	21.0
95.01234	2.2
97.02821	1.1
99.00749	2.3
99.08019	4.7
99.97370	0.8
101.02305	39.3
109.02824	1.9
111.00741	0.9
113.02306	13.5
119.03377	7.2
125.02321	0.9
127.07524	20.4
131.03352	1.3
131.33110	1.0
143.03349	1.5
145.08589	20.6
149.04413	1.2
159.10123	4.2
161.04509	3.9
170.16939	1.7
171.10184	3.3
187.06102	1.1
189.11281	3.4
197.41978	1.0
289.12943	18.0
289.15933	1.4
290.13348	1.1
303.14346	1.2
307.14001	66.3
308.14438	1.4
315.14755	0.8
321.15640	4.2
333.15656	6.5
349.15060	100.0
350.15436	4.1
351.16650	6.8
357.21243	1.8
375.16504	1.5
393.17682	24.2
397.45877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.8
58.00470	0.7
59.00004	1.4
59.01245	84.2
59.02341	1.1
60.01589	0.9
61.98696	0.7
69.03316	1.0
71.01243	25.2
72.99171	1.0
73.01118	0.7
73.02808	59.3
74.03149	0.7
75.00751	0.6
81.03306	0.7
83.01245	14.6
84.04433	0.6
85.00663	1.3
85.02810	100.0
85.04677	1.4
85.07402	0.4
86.02330	4.7
86.03164	0.7
87.00743	0.5
89.02296	6.6
95.01237	0.7
95.37725	0.4
97.02833	1.0
99.00726	0.7
100.99560	0.6
101.02309	48.6
102.02663	0.6
103.03868	7.6
113.02313	10.2
113.09591	3.7
119.03369	3.9
125.02317	1.7
127.05017	1.0
127.08637	2.7
128.03410	18.4
129.09091	0.7
131.03387	4.4
143.03400	5.0
149.04449	6.4
150.60094	0.4
153.06554	1.1
155.03403	1.7
161.04459	14.2
161.05792	0.7
171.06479	2.8
171.07649	12.6
177.09467	11.2
179.04402	0.5
194.51767	0.5
203.05501	2.1
215.06673	2.0
221.06596	4.6
264.12857	2.6
292.21097	0.4
307.10403	18.9
308.10617	0.6
375.15646	0.6
393.17133	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	84.4
59.02425	1.6
59.42457	0.9
69.03339	1.6
71.01241	23.2
71.01638	1.2
72.99155	1.2
73.02805	65.6
83.01241	11.9
84.27213	1.0
85.02807	100.0
86.03175	1.4
89.02306	7.3
97.02839	2.0
99.29956	1.2
101.02308	46.9
103.03868	13.4
103.04418	1.2
113.02309	12.7
119.03423	4.1
125.02374	1.9
128.00883	1.0
131.03429	3.3
134.03630	1.2
143.03384	5.8
149.04462	9.4
161.04456	16.1
171.06532	5.6
193.05058	1.8
203.05580	1.8
221.06731	4.4
243.03963	1.1
307.10400	20.6
308.10641	1.2
330.90747	1.1
393.13675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75597	0.6
55.01744	0.8
57.03320	0.6
59.00052	1.6
59.01243	100.0
60.01582	1.0
61.98695	0.7
63.57349	0.9
71.01237	7.1
73.02805	6.0
83.01253	1.4
85.02809	7.3
87.00752	0.7
89.02339	0.8
95.01237	0.9
96.03706	0.6
99.00759	1.7
101.02308	10.0
105.11897	0.6
111.04608	0.7
113.02321	3.0
156.88322	0.8
161.04535	2.5
161.31107	0.7
215.14043	0.7
223.48009	0.8
307.17642	8.4
344.19962	2.8
393.21432	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30830	0.2
51.79772	0.2
58.99939	1.4
59.01241	100.0
59.02371	1.6
60.01578	0.7
61.98697	0.3
63.15591	0.2
68.52082	0.2
70.02844	0.2
71.01249	0.9
73.02811	0.7
85.02822	0.5
89.02290	0.4
101.02323	0.9
103.14959	0.2
128.03374	0.3
270.68890	0.3
302.90573	0.3
333.15656	0.5
351.16422	0.3
393.17627	1.8
412.64731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97063	0.6
56.54370	0.6
57.19986	0.6
58.99932	1.1
59.01243	100.0
59.02441	1.8
71.01263	0.7
77.78208	0.7
78.48386	0.7
115.00269	0.9
175.02428	1.5
223.70883	0.8
267.78824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02838	4.0
59.01242	1.3
61.98685	0.7
67.02857	0.7
67.96003	0.5
70.02836	1.0
72.99172	0.8
74.02338	3.5
75.00710	1.2
79.95605	1.3
82.02830	5.2
83.05984	1.0
84.04405	9.1
84.40437	0.6
86.02326	1.6
96.95869	46.7
96.98450	0.7
97.03948	0.7
98.95517	0.6
99.05473	1.6
101.07059	8.3
106.04130	0.7
109.03922	10.2
110.02361	1.0
112.03936	0.6
115.91950	0.8
116.92708	0.9
119.04890	11.0
123.09129	0.7
127.05003	59.6
128.03406	100.0
129.03763	1.2
135.02879	5.8
136.07538	1.5
143.11798	0.9
145.06084	1.1
150.10229	1.4
151.08701	1.4
168.11331	1.3
176.08220	0.7
178.08661	4.1
186.52983	0.7
190.08701	0.9
194.09285	7.8
195.07718	1.1
199.21475	0.8
204.10281	0.8
212.10339	6.6
219.11340	2.4
221.12910	7.3
247.10855	17.1
248.11266	0.6
265.11942	94.7
266.12259	3.4
288.17090	0.8
314.15213	1.7
332.16177	5.2
358.10559	0.6
358.14151	12.3
359.14526	0.8
376.15176	25.6
377.15460	1.3
394.16199	22.7
395.16525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53540	0.4
57.93340	0.4
59.01239	6.4
59.82747	0.4
61.98730	0.5
63.21333	0.4
69.66624	0.5
71.01246	0.5
72.00768	0.9
74.02327	20.6
91.73405	0.5
101.02294	0.7
116.04917	11.0
124.03967	1.1
126.09105	2.2
142.06500	2.4
153.07880	2.8
155.11801	2.3
157.07597	0.7
157.13367	3.9
159.09148	4.6
169.13374	1.5
170.08154	0.7
171.14948	2.0
183.15016	0.8
186.05600	0.8
197.12868	4.8
203.08191	13.8
204.08548	0.9
215.13948	23.0
216.14297	0.9
217.48523	0.7
271.14520	1.3
299.14029	1.0
300.20746	2.3
344.19800	100.0
345.20108	6.7
405.96674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02827	0.2
59.01241	1.0
64.05239	0.1
70.02859	0.1
71.01235	0.8
72.99170	0.3
73.02808	0.3
75.00736	2.8
79.95584	2.1
82.02862	0.3
84.04425	0.3
86.02323	0.2
89.02296	0.6
89.93184	0.2
96.93391	1.5
96.95869	100.0
96.98670	0.9
97.10822	0.1
97.92951	0.2
97.95771	0.2
98.95451	1.6
98.96296	0.2
99.92423	2.2
100.93233	0.5
101.02296	0.4
101.07057	0.5
105.03340	0.2
109.03926	0.5
111.00755	0.2
115.82960	0.2
115.91946	1.7
116.91898	0.3
116.92724	4.7
117.01818	0.3
119.04910	0.4
127.05026	2.3
128.03404	4.2
128.05379	0.2
129.03770	0.4
133.02823	1.0
135.02870	12.9
135.04329	1.1
161.02348	0.7
171.94551	0.3
172.95372	0.7
177.01848	0.2
179.03462	0.8
181.23592	0.2
194.09206	0.2
201.01645	0.2
204.96010	0.3
215.95131	0.8
216.96013	0.4
216.98106	0.3
232.95450	0.3
232.99875	0.6
234.99348	0.5
247.10953	0.3
248.11301	0.3
260.94986	0.5
265.11948	2.7
266.12274	1.1
277.00244	0.3
291.01965	0.5
297.06213	2.2
335.00931	0.3
358.14294	0.3
359.14597	0.3
376.15244	0.6
377.15607	0.5
394.16486	0.5
395.04391	0.6
395.16196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70253	1.4
59.01243	85.7
59.02477	1.3
66.74397	1.4
67.49236	1.5
69.03313	1.7
71.00874	2.6
71.01241	33.7
71.04876	1.8
72.99160	1.7
73.02804	85.0
73.04472	1.7
75.00740	2.4
78.95726	1.6
83.01237	20.8
85.02815	2.6
89.02297	8.9
91.73303	3.1
96.95870	59.1
99.00750	2.0
99.26999	1.6
101.01641	3.8
101.02300	68.9
113.02304	7.4
119.03358	3.1
125.02325	2.8
128.03401	8.8
130.08635	4.1
131.03345	3.0
135.02844	1.8
143.03360	4.0
147.06544	5.7
149.04416	1.7
152.91606	4.8
161.04462	9.1
189.28912	1.7
196.22147	1.5
197.67610	1.6
259.13013	3.6
260.50137	1.9
309.11850	8.3
351.12985	100.0
352.13580	3.6
377.03787	5.1
395.04572	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02940	0.4
51.08293	0.3
59.00026	1.8
59.01241	100.0
59.02300	1.1
60.01569	0.7
61.98692	1.7
63.13470	0.4
71.01242	1.1
76.16260	0.4
87.00165	0.4
87.00734	0.6
98.05814	0.5
98.61103	0.4
101.02318	1.0
103.66647	0.4
109.02824	0.5
115.00253	0.9
128.03450	0.7
175.02342	0.7
176.01154	0.7
191.03600	0.6
208.18779	0.4
232.92679	0.6
279.61746	0.6
293.16174	0.6
332.68195	0.6
335.17426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.8
59.91485	0.1
60.96819	0.1
61.42252	0.1
68.13338	0.1
71.01257	0.2
73.02798	0.2
77.02988	0.1
77.75362	0.1
87.42881	0.1
89.03825	0.2
96.95887	0.1
100.33807	0.1
106.04109	0.6
107.04879	0.2
108.02066	0.2
117.03352	0.5
119.04878	0.8
121.02846	0.4
121.41344	0.1
128.03426	0.2
132.02116	0.2
133.02847	0.7
133.99062	0.8
134.03612	100.0
134.07613	1.3
135.03932	1.8
136.01553	0.2
137.02315	2.1
139.03865	0.5
147.04420	0.5
149.00665	0.2
149.05968	34.3
149.10614	0.5
150.03101	0.2
150.06296	1.0
159.04338	0.2
176.04672	0.2
178.02634	12.0
179.02975	0.3
185.43823	0.1
191.03380	0.2
191.07040	0.2
192.04239	0.3
193.04990	67.1
193.11894	0.7
194.05334	1.7
203.03488	0.2
235.06076	1.0
379.27139	0.1
390.15933	0.1
397.11407	3.0
398.11685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83273	0.1
56.94567	0.3
59.01242	0.7
59.59152	0.2
60.20156	0.1
61.98686	0.2
71.01254	0.2
80.58118	0.2
81.96268	0.1
92.45995	0.1
93.03316	0.5
98.48528	0.2
106.04097	0.7
109.02876	0.3
111.00745	0.4
119.04916	0.2
121.02811	1.2
133.02824	2.6
133.99355	0.8
134.03609	71.8
135.03940	1.7
135.33519	0.1
137.02324	7.7
139.03882	2.1
140.18031	0.2
144.27094	0.2
145.79706	0.2
147.04366	0.3
149.02307	0.5
149.05965	18.4
150.03072	1.0
150.06319	0.4
155.10455	0.2
159.04384	0.3
159.68417	0.2
174.10182	0.2
177.96207	0.3
178.02625	39.2
179.03006	1.0
191.03401	0.3
192.97655	1.0
193.04985	100.0
194.05310	2.8
203.03448	0.6
233.75624	0.2
284.95749	0.2
397.11102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19136	0.4
59.00018	0.6
59.00270	0.4
59.01242	23.9
61.98692	2.5
71.01241	0.6
73.02808	0.5
86.76280	0.5
91.78693	0.6
96.95820	0.7
119.04916	1.0
120.27209	0.5
121.02832	1.2
133.02829	1.1
134.03610	100.0
135.03986	2.0
137.02304	2.5
139.03868	0.6
149.05969	44.9
150.06306	0.8
178.02626	14.4
191.03436	1.0
193.04988	75.6
194.05307	2.1
195.02846	0.6
208.82426	0.5
219.44707	0.6
235.06010	0.7
332.90286	0.6
337.09320	28.0
338.09598	1.1
342.30908	0.6
368.88040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60164	0.6
59.01015	0.6
59.01241	7.2
60.12881	0.6
61.98672	1.9
71.01225	0.9
83.94231	0.6
86.02309	0.8
100.44286	0.6
100.44978	0.6
111.00725	1.3
114.05454	1.2
119.04902	0.8
121.02832	0.9
128.03416	2.5
132.84505	0.6
132.87238	0.7
133.02805	1.6
134.03613	74.5
135.03870	0.7
137.02328	6.7
139.03853	2.2
148.38545	0.7
149.05972	21.8
150.03125	0.6
150.06317	0.8
171.07642	0.9
178.02629	34.2
179.02995	1.0
190.47946	0.6
193.04990	100.0
194.05362	3.3
291.16599	0.7
337.09302	8.4
380.31219	0.7
397.11493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.9
57.03284	1.3
58.00443	1.2
59.00016	1.7
59.01240	100.0
59.02353	2.0
65.79981	1.0
70.80645	1.2
71.01234	46.9
73.02800	88.2
78.12643	1.3
83.01234	21.0
85.02783	7.2
89.02290	16.1
96.95870	1.2
98.89992	1.3
99.00729	2.5
101.02298	63.9
113.02296	12.9
115.05395	1.8
119.03353	4.5
119.04867	4.3
125.02328	3.4
131.03384	3.8
131.08536	4.0
136.07568	4.4
143.03407	2.9
149.04393	3.5
155.03368	3.0
155.10640	6.2
161.04469	7.1
162.05479	5.3
175.07523	7.0
193.08586	4.2
199.09717	5.7
215.11963	1.9
217.00163	1.8
241.09714	3.1
315.14105	1.8
337.12869	5.2
355.13959	24.9
397.15042	75.9
398.15433	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	BRN 5158773
Peak:m/z	Relative Intensity
54.43559	0.5
55.01747	2.2
57.03315	3.3
58.00480	0.8
59.00008	0.8
59.01243	45.7
59.02351	0.7
62.56104	0.6
63.58810	0.6
63.96870	0.6
68.99689	0.7
69.03309	0.9
71.01241	22.1
72.99158	1.5
73.02805	9.3
75.00759	0.6
83.01244	8.8
85.02811	20.5
85.99957	1.9
86.48855	1.0
87.00762	1.4
89.02276	1.3
93.81468	1.1
95.01237	2.9
97.02808	1.5
99.00742	3.6
101.02309	17.1
111.00731	0.8
112.01481	0.8
113.02306	8.1
125.02309	1.4
128.03433	1.0
129.01752	0.8
143.03406	1.5
149.02306	0.8
149.09602	6.0
159.02911	1.1
162.05540	1.1
163.07526	7.4
167.10620	0.8
168.17473	1.2
176.12335	0.7
187.25970	0.7
193.08624	52.1
217.06142	3.9
235.07291	1.6
245.90041	0.7
270.25589	0.8
277.10788	1.5
337.12952	73.3
338.13358	3.8
355.14011	100.0
356.14368	4.5
397.15063	65.1
398.15805	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.4
55.92439	1.9
57.03308	4.6
59.00965	3.8
59.01242	44.6
63.50552	2.2
69.29353	2.2
71.01231	18.5
72.99166	2.7
73.02801	6.6
83.01241	7.1
85.02808	21.3
85.04811	2.1
85.99993	2.8
86.17816	2.4
89.04278	2.1
91.73343	5.0
97.02813	2.7
99.00725	2.2
101.02304	17.0
113.02305	6.1
128.03427	3.1
136.07600	2.6
143.03331	2.4
149.09618	6.8
161.02376	3.8
163.07507	4.2
193.04970	29.0
193.08620	53.1
217.06184	10.2
235.07346	3.5
243.09451	2.4
252.59648	3.0
269.53665	2.8
337.09943	1.9
337.12982	71.3
355.14005	100.0
356.14044	6.4
397.15030	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23046	0.1
57.03307	0.2
59.01244	19.7
59.02500	0.3
61.65916	0.2
71.00871	0.3
71.01244	5.0
72.99122	0.2
73.02807	2.1
75.00731	0.2
77.83222	0.2
81.03297	0.3
83.01237	0.8
84.59172	0.2
85.02804	1.7
93.03318	0.9
95.01238	0.3
99.00719	0.6
101.02310	2.4
105.20224	0.2
106.04103	2.9
107.02158	1.3
107.04889	100.0
107.08021	1.3
108.02035	0.5
108.05206	2.5
108.05888	0.3
112.94344	0.2
113.02302	1.4
114.05452	0.5
119.04903	0.4
123.04412	0.9
123.79537	0.2
130.08614	0.3
132.05704	0.2
133.06497	0.4
138.03171	0.3
149.05975	0.5
151.03899	17.9
152.04250	0.5
158.99454	0.2
161.04474	2.0
161.05981	1.0
191.07022	0.3
203.05559	1.0
399.27289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99926	1.3
59.01241	100.0
59.02414	2.2
71.01252	0.9
71.14065	0.9
75.00710	0.9
81.03327	0.9
82.50310	0.8
101.02309	1.2
138.44438	0.9
159.22258	0.9
265.29620	1.1
330.30392	1.0
414.35999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	17.2
61.98690	5.0
67.41402	2.6
71.01252	7.8
78.78281	2.2
84.04429	5.3
89.02313	14.1
101.02291	3.7
102.05481	14.5
113.02329	4.0
119.03392	4.0
121.02846	9.6
125.51797	2.3
128.03423	42.9
129.99423	2.3
143.03270	3.0
144.36459	2.2
156.72971	2.3
179.05580	8.1
184.57127	2.7
209.19058	12.3
253.18060	36.6
268.26526	5.2
271.19177	69.6
294.24390	5.4
309.46274	2.6
313.07150	3.1
337.71429	2.9
341.10919	23.7
356.24310	5.5
359.12350	3.0
375.81537	2.5
382.22437	9.3
400.23438	100.0
401.23816	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71265	0.4
52.00011	0.5
53.29824	0.5
58.03142	0.6
59.00096	1.0
59.01241	62.8
59.02514	1.0
60.24530	0.5
62.69837	0.4
64.00767	0.5
64.72808	0.4
67.50070	0.4
71.01237	9.9
71.01595	0.9
72.99162	2.0
73.02808	4.1
73.78417	0.5
74.02323	0.8
75.00744	1.1
84.16179	0.5
85.02806	2.4
87.00774	0.7
89.02297	12.9
91.72726	1.1
93.01038	1.0
93.03313	67.4
94.03638	0.9
95.01233	3.7
99.00725	0.5
101.02301	5.5
109.02798	1.8
113.02341	3.5
117.56526	0.5
119.03378	6.3
122.03603	2.7
123.00747	34.1
123.04378	2.9
125.02293	1.2
128.03438	1.8
130.08614	0.7
135.04379	1.1
137.02319	100.0
137.05951	17.2
137.06885	1.0
138.03108	44.9
138.07654	0.6
149.02486	0.5
151.03874	0.7
153.01855	1.8
153.05461	20.2
161.04440	2.2
166.73329	0.6
166.99762	13.5
179.03426	1.0
179.05525	5.3
182.02121	39.7
197.04480	85.3
198.04842	1.8
204.39159	0.6
204.62758	0.6
239.05551	1.5
305.59775	0.6
341.11444	17.4
401.10757	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37661	0.1
59.00175	1.2
59.01241	100.0
59.02485	1.7
60.01572	0.6
66.33309	0.1
70.17147	0.1
71.01241	1.1
75.00710	0.2
75.80263	0.1
81.03316	0.2
85.02806	0.2
89.02290	1.7
93.03271	0.2
101.02320	0.5
106.04092	0.9
107.04907	0.2
113.02306	0.3
116.64434	0.1
119.03388	0.5
119.04897	0.9
123.04406	0.6
128.03429	0.3
135.04369	0.2
137.05960	25.7
138.06267	0.7
153.05496	0.8
179.05530	0.8
254.75648	0.1
341.10889	2.4
365.93982	0.1
401.15073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.6
57.03313	1.7
58.00454	0.6
59.01242	100.0
59.02497	1.7
59.38605	0.5
60.01580	0.5
60.98486	0.4
64.28058	0.4
67.76814	0.5
69.03327	0.5
70.70490	0.5
70.99770	0.6
71.01237	36.1
72.99181	1.4
73.02804	7.5
80.00854	0.4
83.01240	3.0
85.02805	16.4
85.03302	0.9
87.00759	1.4
89.02297	21.8
89.02837	1.2
90.23676	0.5
95.01239	4.5
97.02826	0.7
99.00760	2.6
101.02303	14.8
107.04928	1.5
108.05230	0.5
113.02308	31.6
119.03440	6.5
119.04888	22.4
119.05748	1.1
121.56071	0.5
127.05029	0.9
128.03432	2.1
129.05493	0.5
131.03404	1.0
135.02985	0.5
136.05177	1.5
137.05949	4.2
143.03421	1.6
149.04475	0.9
161.04459	4.9
179.05530	5.6
179.06880	0.8
201.01683	1.7
216.98732	0.6
281.10321	67.8
282.10751	2.4
299.11307	5.9
341.10834	16.6
342.11899	0.8
401.20627	1.0
403.00055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99345	0.1
56.91548	0.1
57.03316	0.4
58.00463	0.4
58.26223	0.1
59.00071	1.9
59.01241	100.0
59.02618	0.6
60.01577	0.7
60.29697	0.1
63.43168	0.1
64.97971	0.1
65.05125	0.1
69.03308	0.6
70.99644	0.5
71.01238	24.3
72.01591	0.2
72.99176	0.9
73.01129	0.5
73.02803	27.1
73.04279	0.3
74.03142	0.3
75.00735	0.3
81.03314	0.3
82.99255	0.2
83.01238	7.5
85.02804	6.1
87.00731	1.1
89.00069	0.2
89.02295	16.8
90.02616	0.2
95.01239	1.6
96.95869	2.0
97.02814	0.5
99.00742	1.1
99.04446	0.2
100.99588	0.4
101.02301	26.5
102.02654	0.2
111.00742	0.2
112.99149	0.2
113.02306	14.6
114.02617	0.3
117.01795	0.1
119.01443	0.4
119.03437	6.2
119.04887	26.6
120.05178	0.6
125.02299	1.1
127.03930	0.1
131.03366	2.1
135.04405	0.4
137.02328	0.1
137.05949	1.9
143.02553	0.1
143.03383	2.8
149.04445	3.0
151.03926	0.2
152.04688	0.4
153.05476	0.7
155.03391	0.6
155.13057	0.1
161.04443	6.0
162.04807	0.1
167.30275	0.1
179.05530	2.2
193.95535	0.1
201.01756	0.2
203.05510	0.7
221.06548	0.6
237.09669	0.2
281.10309	26.1
282.10620	1.4
299.11359	9.3
300.11716	0.3
315.10925	0.2
341.12503	7.6
342.12683	0.4
348.05649	0.1
357.12225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01751	1.2
57.03318	2.4
59.00021	2.0
59.01243	100.0
71.01239	35.2
71.02609	0.7
72.99190	1.1
73.02809	14.3
82.21737	0.7
83.01241	6.1
84.04444	0.7
85.02805	14.3
87.00738	1.9
87.53639	0.7
89.02297	20.4
91.05331	0.7
95.01246	2.1
96.95875	2.3
99.00736	2.8
100.47544	0.7
101.02302	27.1
101.02957	1.5
109.45039	0.8
113.02303	15.4
119.03365	6.3
119.04913	0.7
125.02314	1.1
128.03392	3.5
131.03401	1.1
143.03383	2.8
149.04488	1.0
153.12698	0.9
155.28059	0.8
159.02899	1.4
161.04456	10.3
171.07643	1.4
179.05521	8.3
179.10774	1.5
182.57335	0.7
315.18195	14.7
315.93585	0.9
322.59140	1.0
341.10913	21.5
341.15936	3.1
342.11288	1.1
359.17096	7.2
401.18188	50.2
402.18341	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13335	0.5
52.24808	0.5
55.01746	0.5
57.03320	1.2
58.00471	0.9
59.01242	67.9
59.02439	1.0
60.01577	0.7
68.99694	0.5
69.03313	1.0
71.01240	26.5
72.99182	1.3
73.02807	11.3
80.38725	0.5
81.85839	0.5
83.01236	2.2
85.02804	8.5
87.00202	0.5
87.00715	2.7
89.00288	0.5
89.02301	19.0
89.43335	0.6
91.72768	0.6
92.33622	0.6
94.82458	1.1
94.82974	0.7
95.01256	1.3
96.95856	0.5
99.00744	1.6
101.02306	20.0
102.05475	0.8
113.02311	9.9
118.41414	0.6
119.03370	7.5
124.01600	0.7
125.02325	1.0
128.03391	0.9
128.56952	0.5
129.01788	0.7
131.03371	1.4
135.11707	1.2
137.05972	0.7
143.03381	0.8
153.12827	0.5
154.75140	0.6
155.28073	1.5
161.04465	1.6
167.10675	1.3
179.05528	4.8
179.10669	6.8
181.12247	7.2
197.11757	16.3
198.04651	0.6
198.12064	0.6
211.61900	0.7
224.09090	0.7
316.16006	0.6
328.47662	0.6
341.07220	0.4
341.10962	13.7
341.16055	20.0
359.17145	54.4
360.17453	1.7
401.18185	100.0
402.18463	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52713	0.3
57.03314	0.5
59.00016	1.7
59.01244	100.0
59.02311	1.3
59.02614	0.6
60.01584	0.6
60.51147	0.3
62.80481	0.3
62.83738	0.3
63.57110	0.5
69.03281	0.4
70.99622	0.5
71.01244	17.8
71.02615	0.3
72.99164	0.5
73.02805	6.0
81.03304	0.6
83.01244	2.4
85.02811	4.5
87.00735	0.4
89.02300	8.6
95.01270	0.7
97.02806	0.4
97.06449	2.1
99.00756	1.4
101.02313	8.1
113.02305	4.9
119.03381	3.4
119.04924	0.6
125.02357	0.8
135.11726	0.9
143.03413	1.2
151.48117	0.4
153.12749	10.9
159.02927	0.7
161.04457	4.2
179.05521	4.2
179.06898	0.5
179.10664	0.8
197.11836	0.7
198.19859	0.5
203.05595	2.5
217.81171	0.4
226.03877	0.5
240.05481	0.8
255.08017	0.8
267.04202	1.2
278.59265	0.4
281.09784	1.0
283.07339	0.9
295.07327	0.4
309.09085	1.0
337.08307	0.7
341.10913	12.2
342.11362	0.5
369.10944	2.6
379.46265	0.4
401.13522	6.6
401.18015	0.6
402.14282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55306	0.9
59.01242	21.6
59.05831	1.1
61.98685	2.5
63.13046	1.0
63.42879	0.9
64.90334	0.9
68.56412	1.1
71.01241	4.5
72.52263	1.1
73.02806	2.7
73.30286	1.0
74.02321	1.3
76.87280	1.1
82.02840	2.9
84.04416	2.6
85.02840	2.1
89.02307	6.7
90.02657	1.5
91.18806	1.1
91.73426	2.0
101.02319	2.9
113.02303	2.4
119.03349	2.8
127.05038	2.5
128.03407	100.0
141.28911	1.1
143.11752	1.4
144.10181	35.5
179.05507	3.4
193.13255	1.4
195.07780	1.3
211.14476	9.6
221.99820	1.2
237.12543	2.5
239.06815	3.0
255.13477	22.0
273.14590	12.7
330.13812	1.9
341.10751	1.5
342.11194	7.7
366.16635	3.4
384.17950	5.4
393.43027	1.2
402.18643	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32824	0.9
59.01235	5.9
62.83277	0.6
63.94069	0.5
66.33388	0.6
66.45424	0.8
71.01248	1.9
71.04884	0.9
72.04409	0.8
73.02798	4.6
78.95760	0.7
82.09631	1.3
82.10057	0.8
83.04897	1.1
84.04417	3.8
85.02810	1.4
85.06432	0.9
89.02296	2.5
97.06444	4.3
101.02322	0.9
102.05462	13.6
113.09590	2.4
114.09110	2.8
118.72172	0.9
119.70559	0.8
123.08103	0.9
125.09591	2.7
128.03403	44.3
137.09584	1.6
146.04439	2.8
155.10637	6.0
184.16948	0.9
193.15906	2.5
194.24391	0.8
195.13821	1.0
199.09702	5.2
211.16965	9.5
229.18117	1.1
237.14911	14.9
238.15150	1.0
240.08678	0.8
254.17725	1.0
255.15997	21.7
256.16431	1.0
272.18716	0.9
273.17090	51.9
274.17480	1.9
296.22363	5.1
340.21359	3.4
342.11194	3.7
358.22351	6.2
384.20169	3.9
390.23557	0.9
402.21347	100.0
403.21530	6.3
421.29367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11747	1.4
51.93565	1.3
55.53572	1.4
59.00037	1.9
59.01241	100.0
60.01597	2.4
61.98683	11.6
69.03327	1.7
69.69827	1.8
71.01239	25.0
71.01578	2.0
72.02673	1.6
73.02818	16.1
75.00756	1.7
76.38356	1.5
82.00399	1.6
82.82669	1.5
83.01245	16.7
83.01659	2.0
85.02834	5.5
87.00794	1.9
89.02304	21.9
89.02767	2.0
95.01266	2.1
101.02305	24.3
113.02288	15.2
116.97375	1.8
118.18874	1.9
119.03423	7.5
128.03453	4.7
131.03374	2.0
135.04373	2.8
137.09630	2.2
161.04457	4.6
163.00323	3.2
179.05649	3.4
190.04512	2.2
273.13651	2.2
276.64011	1.8
299.05743	3.0
299.11551	2.2
359.13480	11.5
361.15045	6.6
402.21704	2.5
403.15933	38.5
403.24142	3.2
406.77914	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00834	0.4
53.99940	0.4
55.01752	0.9
57.03313	0.7
58.00459	0.6
58.52799	0.5
59.01240	7.0
61.98689	0.7
70.48283	0.5
71.01226	2.7
73.02800	5.3
83.04886	1.8
85.02793	0.9
86.74372	0.5
87.04362	3.6
91.73413	1.1
97.06445	1.3
101.02324	1.7
101.08212	0.5
103.67673	0.5
109.06450	0.9
113.02332	1.3
124.23277	0.8
125.02360	0.6
128.03391	0.6
128.53670	0.5
130.55011	0.5
135.08037	2.0
137.09605	20.1
139.11169	1.6
151.11180	0.8
155.03404	0.8
155.10670	100.0
156.11000	1.8
165.09074	0.6
167.10699	1.2
169.12221	5.1
181.08626	6.4
191.87349	0.5
197.11786	0.7
199.09691	92.8
200.10028	2.0
213.11281	2.5
241.10817	10.4
245.09093	0.6
365.66580	0.7
403.15964	1.1
403.23407	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67214	0.5
53.85954	0.5
54.63800	0.6
56.42484	0.5
56.62222	0.5
58.00460	0.6
59.01241	7.6
60.03585	0.5
61.98694	1.5
62.38888	0.6
71.01222	1.5
71.67285	0.6
73.02813	4.1
74.07105	0.6
78.95768	1.0
85.02817	1.0
87.04363	3.3
89.02301	1.1
90.21713	0.6
96.95879	0.7
101.02299	1.9
113.02306	1.0
135.08029	2.9
137.09598	13.1
139.11192	0.8
150.13120	0.7
155.05186	1.2
155.10666	100.0
156.11008	2.2
161.01471	0.7
162.39386	0.6
169.12209	1.8
181.08621	2.4
199.09685	89.8
200.10027	2.7
213.11266	1.1
241.10793	6.3
403.23547	1.6
418.86887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
54.11058	0.6
54.35119	0.6
55.01735	2.6
56.66768	0.7
57.03300	1.2
57.92744	0.7
58.00465	0.9
59.00099	1.4
59.01243	65.6
59.02496	1.0
61.33772	0.7
61.98693	4.9
71.00871	1.4
71.01240	18.4
72.99160	1.0
73.02816	8.4
82.99339	0.9
83.01241	54.4
83.04856	0.9
84.17777	0.7
85.02807	12.3
85.99971	0.8
86.23506	1.0
87.00721	2.0
89.02287	3.2
95.01224	1.3
97.02804	1.1
99.00700	3.1
101.02302	17.8
102.05432	1.2
111.00699	1.2
113.02303	8.0
115.03876	0.9
119.03336	1.3
128.03412	4.0
130.61983	0.8
135.04335	0.9
137.09503	0.9
154.80698	1.9
155.10580	1.6
161.04437	3.5
163.84854	0.8
208.11348	1.0
241.10788	0.9
243.84866	0.9
277.13028	3.1
278.21393	1.3
317.01221	1.2
317.16101	6.9
343.14261	9.5
361.15012	17.1
368.74222	1.0
403.16116	100.0
404.16418	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1976
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
52.73832	0.8
55.01740	3.5
56.11971	0.7
57.03304	3.1
58.00440	0.9
59.00003	1.9
59.01243	100.0
59.02320	1.5
61.98693	5.2
63.74148	0.8
71.01240	32.3
71.02670	0.9
72.62933	0.9
72.99157	1.2
73.02805	16.7
75.00730	1.2
83.01241	7.4
83.57433	1.1
85.02809	22.9
85.99922	1.5
87.00722	2.2
89.02304	2.9
95.01235	2.4
96.03207	0.8
97.02796	1.8
99.00732	5.4
101.02306	33.6
102.05473	1.2
110.60113	0.9
113.02305	12.9
113.05858	0.8
124.01531	1.0
125.02308	1.9
126.58745	0.9
134.22646	0.8
138.02884	0.9
143.03401	1.5
154.79890	2.1
159.02946	1.3
161.04440	10.4
164.29536	1.0
181.12265	1.4
199.13385	5.6
203.01259	0.9
259.68640	0.9
303.19489	1.0
317.19708	19.5
318.20172	1.1
323.60376	1.1
343.17703	15.1
361.18707	23.2
362.19138	1.2
385.18478	1.3
403.19766	92.2
404.20279	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08732	0.1
51.72879	0.1
58.51050	0.2
59.01246	0.2
59.04220	0.2
61.97544	1.2
61.98693	100.0
62.00032	1.7
64.73701	0.1
71.68616	0.1
75.00735	0.2
76.38815	0.2
78.95768	1.5
96.96857	0.2
97.66254	0.1
104.36789	0.2
106.10921	0.2
134.03642	0.2
134.04558	0.4
135.04393	10.3
136.04778	0.4
179.03409	21.7
179.67690	0.2
180.03741	0.6
219.46173	0.2
341.08707	2.5
342.85217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02831	0.3
59.00030	1.1
59.01244	59.8
60.01574	0.4
61.97375	1.7
61.98695	100.0
61.99810	1.2
65.03857	0.4
71.01243	2.0
72.00766	1.8
72.01591	0.3
72.99155	0.3
73.02802	3.1
73.57166	0.3
74.02332	8.5
74.03133	0.5
83.01246	0.7
84.00781	0.9
85.02768	0.3
87.05501	6.9
89.02323	0.4
93.00900	1.2
93.03317	93.7
93.06966	1.0
94.03655	2.1
94.07301	0.6
101.02297	2.3
101.05950	0.5
104.03399	0.8
111.05511	0.5
111.28407	0.3
112.03950	0.4
112.07561	0.9
113.01057	3.6
113.02279	0.7
114.01836	0.9
116.04929	5.0
128.03445	1.0
129.06573	8.3
130.06541	0.4
134.56506	0.3
139.06296	0.5
141.10252	0.8
142.06548	1.0
143.11839	1.7
143.12729	0.3
143.54401	0.3
145.47833	0.3
152.07095	0.9
153.10234	0.4
155.11787	1.4
156.06564	7.4
156.07796	0.5
157.13383	0.8
159.09178	1.2
161.04492	0.4
166.08781	0.3
169.09711	2.7
169.13625	0.3
171.07748	0.4
181.09839	1.7
183.11327	2.1
186.05560	0.4
196.14531	1.2
197.12910	0.4
198.07945	1.1
201.12386	8.6
203.05545	2.1
203.08217	5.3
213.14047	0.3
238.15645	1.0
240.13440	0.5
241.13481	2.8
243.43681	0.3
246.75511	0.3
255.11469	0.9
257.13034	0.7
272.16159	0.7
272.27078	0.3
281.09363	1.1
282.14630	0.8
285.12506	5.1
286.19339	0.4
294.14655	0.5
297.09775	2.5
314.17252	9.5
315.17386	0.4
326.17310	2.4
330.18265	39.4
331.18631	1.1
359.13388	0.4
360.14114	0.3
386.13702	0.3
403.16022	0.4
405.17532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84341	0.2
58.02831	0.3
58.99894	1.0
59.01241	100.0
59.02418	2.0
60.01583	0.5
61.98693	18.9
61.99966	0.3
68.79346	0.3
71.01247	0.5
72.00768	2.4
72.99201	0.3
73.02813	0.7
74.02326	14.1
81.80614	0.3
84.00761	0.7
87.05495	3.6
93.03316	17.3
100.07552	0.3
101.02302	0.7
101.05955	0.5
102.05476	0.3
104.03409	0.8
111.05570	0.4
112.03952	0.3
112.07544	2.5
113.01047	7.6
113.05966	0.4
114.01844	1.4
116.04919	9.5
116.07047	0.4
128.03386	0.7
128.07059	0.4
129.06583	4.9
130.06503	1.0
138.05504	0.5
139.06281	1.5
141.10213	1.7
142.06519	1.4
143.11778	2.8
146.05974	0.5
150.40134	0.3
155.11787	1.6
156.06554	13.5
157.07658	0.3
157.13351	1.4
159.09203	2.9
169.07584	0.3
169.09721	1.9
169.13388	0.3
177.10405	1.5
181.09750	1.3
183.11276	3.6
186.05582	0.6
196.14377	0.5
198.07903	2.3
201.12379	18.7
202.12842	0.5
203.08202	9.4
204.08511	0.4
213.06670	1.1
238.15509	0.6
241.13431	5.1
242.58124	0.3
255.11330	0.6
257.13016	0.8
272.16156	0.5
281.09460	0.6
282.14493	0.6
285.12473	7.9
286.19196	1.6
294.14279	0.4
297.09601	0.4
303.13565	0.5
314.17227	5.6
315.17325	0.4
326.17285	1.2
330.18246	72.5
331.18573	4.2
345.14603	0.3
377.16449	0.3
386.13519	0.6
404.23145	0.6
405.17566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13927	0.5
54.50641	0.6
58.58260	0.6
59.01236	10.2
61.98686	2.5
65.83410	0.6
67.20813	0.6
71.01235	1.2
71.24185	0.6
72.99168	0.8
73.02806	2.3
73.53620	0.7
73.83073	0.6
83.04877	1.3
85.02788	0.8
86.02333	2.0
87.00728	100.0
87.02855	2.0
93.03314	11.1
93.89912	0.7
98.48964	0.6
99.99726	1.0
101.02283	1.5
108.80224	0.6
109.02824	0.7
111.04382	10.0
120.01084	1.4
124.69292	0.8
127.08632	1.0
128.03410	13.4
133.02834	7.4
134.03584	1.2
135.04387	20.9
137.02315	7.1
139.07503	1.5
143.08896	0.8
152.76077	0.7
155.03358	1.0
159.04572	0.7
161.02335	24.5
161.04382	1.3
171.07480	4.5
179.03384	17.9
179.04950	0.9
185.11765	2.6
189.09549	0.8
199.13261	1.2
204.29970	0.7
215.06668	1.0
231.04456	1.0
243.05087	11.4
243.12317	1.0
249.05505	7.9
286.16589	3.1
379.99023	0.9
393.59625	1.0
405.12268	1.9
405.21860	1.0
424.95715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98920	0.9
54.31795	1.0
56.20311	0.8
59.00969	1.9
59.01242	27.0
61.98696	6.6
71.01238	4.9
72.99161	2.0
73.02798	3.6
76.82126	1.0
83.01247	2.1
85.02802	1.7
87.00728	93.4
87.02808	1.4
88.01023	1.1
89.02294	2.4
91.05379	1.4
93.03312	65.8
101.02297	3.8
109.02821	6.1
111.04356	8.8
113.02294	1.7
119.04899	1.8
121.02856	1.2
121.72992	1.0
133.02812	7.0
134.03596	3.4
135.04391	100.0
136.04768	2.6
137.02315	64.7
145.74188	1.1
147.04498	1.3
161.02312	22.0
161.04369	1.5
163.03906	3.4
179.03407	80.5
179.09567	1.3
189.05740	1.3
201.11247	1.4
201.42038	1.3
202.55792	1.1
225.04044	2.8
229.08580	2.1
243.05147	2.6
250.58211	1.2
255.06480	1.6
273.07608	4.5
273.10553	1.3
317.06793	5.3
363.16470	6.1
392.94104	1.3
405.17450	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00102	1.6
59.01242	100.0
59.02510	1.3
60.01587	0.5
61.98697	1.1
63.93732	0.6
69.03340	1.4
71.01238	27.4
71.02957	0.7
72.99166	1.7
73.01247	0.7
73.02805	53.0
73.04592	0.6
74.03129	0.6
75.00749	0.7
79.95592	0.7
81.03301	0.7
82.33400	0.6
83.01238	12.8
83.01694	0.9
83.71719	0.7
85.02819	3.6
85.84325	0.8
87.00752	1.2
89.02296	12.0
95.01257	0.6
96.95869	19.8
96.96474	1.2
97.02825	1.1
100.69747	0.6
101.02303	48.2
113.02307	12.6
119.03358	5.1
125.02322	2.9
131.03380	4.6
139.07616	0.7
143.03394	4.8
149.04431	6.7
155.03435	1.8
157.08620	4.3
161.04451	13.6
163.94408	0.8
175.98764	0.7
203.05658	2.2
221.06738	2.6
281.19431	0.7
361.15073	14.6
362.15634	1.2
405.12308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.6
60.05904	0.4
61.98685	1.7
71.01240	0.9
72.99121	0.6
73.02810	1.6
74.24805	0.4
80.78541	0.4
82.66601	0.4
82.95264	0.6
83.84486	0.4
85.02810	0.8
85.06444	1.5
85.91907	0.4
93.00663	0.4
96.95853	4.1
97.06452	1.6
101.02325	1.1
103.99440	0.4
106.19617	0.5
109.06475	1.4
111.07996	0.6
113.02312	0.5
119.04894	0.8
128.03397	1.7
130.08614	1.7
132.91505	0.4
135.04471	0.5
137.09590	1.0
139.11166	37.3
140.11507	1.0
145.02841	1.7
157.12329	0.6
171.15173	0.5
183.10185	1.3
201.11252	100.0
202.11633	2.7
215.12808	6.6
230.61526	0.5
241.11925	0.8
243.12361	3.4
259.13123	1.0
263.06973	0.5
274.07162	0.8
293.04959	0.6
345.03937	1.2
405.12167	0.6
405.17484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00016	1.9
59.01245	100.0
61.77151	1.3
61.98708	4.0
72.99186	4.9
84.53384	2.0
91.73327	2.2
119.04915	1.8
128.16742	1.6
254.90736	1.7
261.15076	2.0
293.61792	1.8
332.86823	1.8
338.61636	1.8
371.23404	1.7
377.85440	1.8
405.12137	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00966	2.8
59.01244	36.7
61.98694	4.6
71.01238	13.4
72.99182	2.4
73.02811	5.5
75.37002	1.2
83.01249	4.9
85.02813	5.9
87.00734	2.1
89.02353	1.8
95.01264	1.9
97.02762	1.2
99.00746	1.9
101.02301	8.6
111.00714	1.6
113.02284	2.4
116.92748	4.7
124.01564	2.8
155.14337	3.8
183.13805	2.4
201.13023	2.8
201.14906	56.4
215.16609	1.7
227.44321	1.7
264.39932	1.7
285.04022	1.9
297.97488	1.6
345.19193	26.2
363.20285	73.0
364.20645	3.3
405.21329	100.0
406.21402	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55863	15.3
59.01250	100.0
61.98689	41.3
69.92482	20.1
72.99173	49.4
75.30621	15.7
78.95753	23.9
79.14829	16.4
91.73296	18.1
112.29976	18.9
113.57728	20.3
116.69541	19.9
152.99472	55.9
180.28381	20.6
228.79980	22.4
275.50769	22.4
305.14130	21.1
311.53989	21.9
349.13129	33.9
350.52652	24.9
399.27313	28.8
405.12036	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	8.1
70.02860	1.1
70.06371	1.0
71.01237	2.4
72.00760	10.0
72.04408	2.2
72.04762	1.0
74.02329	52.1
82.02863	1.6
83.86576	0.9
84.04395	5.6
85.02831	2.0
86.02331	3.2
89.02288	1.0
94.88235	1.1
95.04877	5.7
96.04425	1.4
97.06434	6.6
98.02331	3.1
100.00272	11.3
100.03875	1.9
101.02280	1.9
102.05445	1.3
104.03392	100.0
108.04396	1.9
110.02344	2.0
110.05917	1.0
112.03916	6.3
115.07474	1.4
116.03408	6.8
120.04445	2.9
121.05247	3.1
122.05979	11.8
123.03141	1.2
123.04373	1.0
124.03923	8.8
126.05450	1.9
128.03404	5.3
130.01334	7.9
134.05998	5.4
136.06560	2.1
136.07561	21.8
137.05954	3.3
138.05486	7.3
146.04483	6.4
146.06030	2.8
150.05515	1.5
158.04431	1.3
159.06528	13.6
160.03986	2.0
162.05473	1.5
163.03946	1.5
164.03392	7.6
166.04947	1.8
168.33990	1.1
170.04543	2.4
183.06662	2.4
186.09132	5.7
187.08673	2.1
191.08330	1.6
191.11882	2.0
198.09100	5.0
205.09798	1.6
212.10826	2.5
214.07376	1.8
214.12267	3.0
226.07542	1.8
227.08270	3.4
229.09760	12.6
239.11966	1.1
240.10310	4.0
241.09819	19.2
242.10574	3.6
243.11093	1.2
246.63391	1.1
253.06114	1.6
255.11365	3.1
257.12943	38.3
268.08600	3.7
269.07916	4.7
271.14532	2.3
283.10889	70.6
283.14081	2.6
284.11246	2.4
296.14093	2.8
301.11890	6.5
301.15228	2.0
309.12561	1.3
314.15131	3.4
326.15152	7.0
344.16135	5.9
358.14145	16.4
388.15155	76.7
389.14713	3.6
403.09506	1.4
406.16190	24.1
406.21133	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69076	1.7
57.65703	1.7
59.01242	20.1
61.98684	4.9
64.85434	2.0
67.73001	1.7
67.85020	1.7
68.75114	1.9
70.02818	3.3
72.00762	10.6
73.17069	2.3
74.02328	60.5
77.30747	2.0
84.04408	3.6
86.02339	2.2
87.00799	2.1
88.60450	2.3
89.15685	2.0
95.04888	4.1
98.02332	3.6
100.00269	9.9
104.03393	100.0
108.04444	3.6
108.35752	2.1
110.02331	4.7
111.50283	2.1
112.03907	10.5
116.03413	9.3
121.05235	2.7
122.06004	12.2
123.03146	3.7
124.03905	10.7
128.03400	5.3
130.01324	8.2
134.05994	4.4
136.07564	25.5
137.05948	3.3
138.05478	10.1
146.04520	7.9
146.05977	3.1
148.07516	3.2
158.04469	2.7
160.03958	2.3
162.40271	2.6
163.03912	4.9
164.03358	10.8
186.09259	3.7
198.09146	3.5
227.08139	2.4
229.09702	15.1
239.06596	2.8
240.10312	6.0
241.09828	23.6
242.10602	4.5
255.11488	2.8
257.12973	38.7
268.08441	3.0
269.07761	12.8
283.10876	71.0
283.14075	4.9
296.14120	3.9
301.11935	6.6
313.16632	2.6
314.15091	4.4
326.15161	8.2
344.16263	6.4
358.14114	18.6
388.15146	98.0
389.15149	3.9
405.17691	3.3
406.16226	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	0.7
59.00172	0.7
59.01240	63.2
59.02463	1.0
60.01576	0.5
61.98683	0.8
63.24659	0.2
68.01262	0.3
70.02840	2.9
71.01250	0.5
72.04424	0.5
73.02811	0.3
74.02328	9.3
76.74564	0.4
78.03339	0.3
82.02783	0.3
84.04405	1.3
85.02787	0.3
86.02332	0.3
91.74975	0.2
92.22173	0.2
96.04384	0.3
98.02335	1.2
98.05957	0.9
99.00729	4.5
101.02273	0.3
108.09721	0.3
112.03911	1.6
116.03399	11.4
125.88359	0.5
126.05485	3.0
128.03392	0.3
140.03413	11.9
141.12706	0.5
158.04501	0.8
187.13312	100.0
187.20276	1.0
188.13663	2.5
200.05585	0.3
218.06668	0.9
226.97675	0.3
235.35095	0.3
236.07709	0.8
242.47395	0.2
256.01901	0.3
268.15546	0.3
306.98041	0.9
406.20914	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00071	1.3
59.01240	65.9
59.02565	1.0
60.01581	0.4
61.49116	0.4
61.98698	0.5
69.00988	0.4
70.02829	0.5
74.02324	2.3
77.59142	0.5
77.80316	0.4
84.04413	0.8
85.20685	0.4
91.46219	0.4
98.05978	0.6
99.00755	0.9
112.03906	0.5
116.03400	4.2
126.05470	2.6
140.03397	4.0
166.00018	0.5
170.11131	0.5
187.06731	1.3
187.13312	100.0
188.13618	2.2
199.88261	0.5
218.06725	0.6
236.07741	0.5
268.15735	0.5
286.44122	0.5
306.97980	1.8
406.21042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85652	1.1
59.01240	17.9
61.98689	22.5
66.56625	1.2
70.02852	2.6
70.97227	1.3
72.04417	3.4
73.02818	1.8
74.02330	65.8
74.86551	1.3
75.58832	1.1
83.65704	1.2
84.04401	2.7
90.43867	1.4
91.04073	1.4
98.02340	3.9
98.06182	1.3
99.00800	3.4
102.48051	1.3
112.03970	1.8
115.00228	1.7
116.03402	100.0
117.66326	1.4
126.05457	2.5
140.03410	13.3
161.81322	1.6
175.02403	2.5
187.13278	9.3
218.06657	5.4
406.20825	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77344	0.5
53.53479	0.6
59.00010	0.6
59.01241	48.3
59.02358	0.8
60.01580	3.4
62.18778	0.7
71.01250	4.2
73.02801	1.6
78.95754	5.9
80.82319	0.6
85.02812	1.6
86.02313	0.8
93.03307	1.4
96.95863	4.1
99.04391	1.8
101.02306	2.0
108.02036	5.2
109.02819	6.0
113.02336	1.9
115.90145	0.7
121.02817	1.9
122.03598	19.9
123.04387	100.0
124.04710	2.4
127.03859	1.0
128.03394	4.8
135.04410	2.1
137.02295	5.6
152.99449	8.3
153.06511	0.8
157.08588	1.2
157.13368	4.1
165.05475	1.7
171.00542	2.3
171.07715	1.0
203.05550	2.4
213.43646	0.8
245.01843	1.2
245.04280	17.3
278.02689	0.9
278.10788	1.5
323.55356	0.8
327.10818	3.4
355.67068	0.8
357.26501	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42257	0.4
57.53846	0.3
57.74558	0.4
58.02816	0.4
59.00087	1.2
59.01241	75.0
59.02538	1.0
60.01569	0.5
60.97393	1.3
61.98698	0.5
71.01252	1.2
72.00246	3.2
72.97388	5.0
72.97786	0.6
73.02791	0.9
74.02346	1.5
80.11129	0.5
81.04407	0.5
82.02853	1.4
84.04419	0.9
86.02327	42.8
86.04607	0.7
87.02637	0.4
88.65049	0.4
89.97659	0.8
90.88200	0.5
90.96235	0.9
90.98447	56.5
93.11270	0.4
101.02312	0.9
109.11919	0.5
110.90739	0.4
111.69864	0.4
113.02349	0.5
115.21107	0.5
116.01654	0.7
119.28105	0.5
127.04994	0.8
127.08623	3.3
127.99732	1.4
128.03404	100.0
129.03693	1.2
129.07304	32.2
130.07643	0.7
147.08366	2.5
153.06587	4.4
171.07658	8.0
173.04813	0.6
173.06316	10.2
178.01712	0.9
179.04555	0.5
191.07390	34.0
192.07629	0.7
197.05577	3.0
201.73932	0.5
215.06676	32.9
216.06772	0.8
216.10533	0.6
278.10651	2.3
279.96225	0.5
305.16211	0.7
307.06094	0.5
321.15332	0.9
347.16760	1.1
363.16129	0.5
365.18378	0.6
389.13791	0.6
399.18536	0.5
407.14771	5.7
407.19174	1.4
415.35797	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00108	1.9
59.01242	100.0
59.02542	1.4
60.01565	0.6
61.98696	2.2
69.03342	0.5
71.01241	15.3
72.99172	0.7
73.02805	8.1
83.01233	3.1
85.02802	4.8
86.02352	0.7
87.00735	2.2
89.02303	9.0
90.98451	0.5
95.01244	1.0
96.95866	0.9
97.02804	0.5
99.00755	1.1
101.02301	12.7
101.02959	0.8
104.03336	0.8
113.02310	5.2
113.09583	4.4
119.03370	2.6
125.02309	1.0
127.08630	0.5
128.03404	3.6
129.92720	0.5
132.85110	0.5
133.38991	0.5
139.54219	0.5
140.77255	0.5
141.09071	8.3
141.10049	0.5
143.08917	2.3
159.10162	22.0
161.06995	0.7
165.63190	1.7
171.07681	1.9
180.78107	1.2
189.06683	0.7
191.11043	1.8
203.12810	0.5
237.57118	0.6
284.11115	0.5
303.14496	14.6
305.16132	0.7
321.15558	51.5
322.15833	2.4
347.16846	1.1
363.16629	62.6
364.16916	3.2
365.17987	0.8
371.22812	0.5
407.19122	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63501	0.2
54.91887	0.2
58.99990	1.7
59.01242	100.0
59.02318	1.3
60.01586	0.5
60.06116	0.2
61.98697	1.9
64.17444	0.2
69.53115	0.2
70.56841	0.2
71.01246	0.7
72.00233	0.2
72.97396	0.4
73.02814	0.5
73.52824	0.2
74.02317	0.3
84.76115	0.2
85.02808	0.4
86.02331	4.0
89.02317	0.2
90.98450	7.2
90.98989	0.5
101.02316	0.9
113.02338	0.4
127.08659	0.3
128.03407	9.8
128.06807	0.2
129.07323	1.9
144.58546	0.2
147.08369	0.5
153.06618	0.5
161.04510	0.5
169.04832	0.2
171.07698	0.8
191.07408	3.6
197.05560	0.3
215.06679	3.3
215.08563	0.2
305.16269	0.8
332.19128	0.2
347.17108	0.6
363.15631	0.3
400.85291	0.2
407.14667	0.4
407.19394	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34226	0.7
52.52747	0.7
55.01749	1.2
59.01241	82.7
59.02369	1.3
59.12623	0.7
68.77060	0.7
68.95393	0.7
69.03305	1.1
71.01238	28.3
72.99181	1.2
73.01075	1.2
73.02802	100.0
73.04352	1.4
74.03135	1.5
75.00735	1.3
82.95270	1.5
83.01235	23.2
85.02813	1.6
89.02294	10.2
89.32988	0.8
97.02810	1.2
99.00735	1.5
99.08039	1.3
100.68082	0.8
101.02299	60.8
102.02636	1.0
113.02314	7.5
115.10610	0.8
116.35484	0.8
119.03359	1.9
125.02296	2.6
125.68927	0.8
131.03386	2.0
143.03357	4.2
149.04440	2.4
155.03407	1.5
161.04456	12.8
165.02621	1.4
173.83183	0.9
179.93144	0.9
197.62964	1.1
203.05527	1.8
238.98085	1.8
263.81226	0.9
323.13477	2.0
365.14542	79.7
366.15063	4.3
370.11533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00117	1.9
59.01241	100.0
59.02532	1.5
60.01577	0.6
61.98685	0.3
63.84228	0.2
71.01245	1.1
73.02788	0.2
78.95760	0.4
83.01212	0.2
85.02815	0.5
90.27171	0.2
101.02346	0.6
113.02329	0.5
128.03383	0.3
161.04495	0.6
205.06784	0.2
214.16180	0.2
219.45222	0.2
271.28629	0.2
282.43372	0.2
307.17593	1.6
316.78604	0.2
349.18896	0.8
360.19327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38411	0.1
59.01243	100.0
59.02418	1.8
60.01583	0.6
61.16600	0.1
68.20255	0.1
70.82791	0.1
71.01247	0.4
73.02802	0.3
77.15680	0.1
77.81380	0.1
78.95780	0.3
85.02846	0.2
89.02293	0.1
91.73363	0.2
97.28835	0.1
101.02320	0.6
101.09925	0.1
105.97716	0.2
107.55212	0.2
111.01900	0.3
111.63046	0.2
113.02321	0.3
118.40017	0.1
123.65385	0.2
161.04494	0.2
174.38972	0.1
211.20552	0.1
220.81171	0.2
307.17603	1.4
349.18915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2187
Annotation	Isariotin A
Peak:m/z	Relative Intensity
52.70028	1.6
55.39594	1.0
59.01244	14.6
71.01257	1.3
73.19099	1.0
74.02338	2.0
83.04863	2.0
84.04424	6.1
85.00294	1.3
91.72718	2.0
100.07565	1.8
102.05466	68.6
105.76919	1.2
126.09167	2.1
128.03407	100.0
144.79971	1.4
146.04466	16.6
147.07999	1.7
148.08827	2.6
151.07541	1.7
156.71213	1.5
167.87032	1.3
211.33434	1.4
219.17497	34.0
219.19508	2.4
220.17961	2.2
233.15393	1.6
263.16516	18.7
281.17572	19.5
328.99936	1.5
348.21790	8.4
366.23212	2.2
392.20770	10.8
396.04025	1.7
410.21896	97.0
411.22192	5.8
411.27438	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82795	0.1
57.06457	0.1
61.98684	0.3
66.09137	0.1
90.10151	0.2
90.19727	0.1
90.72747	0.2
93.03301	0.8
100.86601	0.2
117.03337	0.2
119.04890	100.0
119.08218	1.4
120.05223	1.9
138.05615	0.1
139.55920	0.1
147.04407	0.2
151.29718	0.2
154.48199	0.2
161.06065	0.2
163.03903	76.5
163.09241	0.8
164.04231	1.5
205.05032	0.3
367.10300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36699	0.4
52.27309	0.4
58.99916	1.2
59.01242	100.0
59.02424	1.9
60.45939	0.4
63.57604	0.9
71.29052	0.5
89.65030	0.5
97.60836	0.5
117.62835	0.6
131.03271	0.5
131.15331	0.5
132.84915	0.6
189.72122	0.6
247.22948	0.5
326.18759	0.8
334.23849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	20.8
61.64378	0.5
61.67941	0.8
61.98680	1.2
71.01239	4.7
73.02795	2.9
85.02793	2.7
91.72765	0.8
91.91669	0.6
93.03324	1.5
96.95878	1.2
99.00726	1.0
101.02296	2.1
106.04100	13.5
107.04885	100.0
108.02036	1.6
108.05214	2.7
113.02301	1.6
119.04858	1.6
121.02804	2.9
123.04355	0.9
136.03369	1.0
136.07556	72.8
137.07898	1.7
138.02972	0.7
149.05974	0.8
161.04424	0.9
161.05945	1.9
164.01486	1.2
164.07066	95.4
165.07423	3.2
175.67981	0.8
180.06523	0.8
208.06088	66.6
209.06432	2.2
232.06157	1.0
246.12762	0.6
352.10526	0.9
360.21063	0.7
370.11386	2.0
412.12512	72.0
413.12961	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12447	0.2
57.02058	0.3
59.01246	1.4
59.26387	1.0
59.26714	0.5
71.01247	0.5
77.03830	0.5
83.01238	0.9
83.48845	0.3
87.33199	0.3
93.03312	1.3
93.09972	0.5
95.01225	0.6
96.95870	0.3
97.02816	0.4
107.04849	0.4
108.02034	0.8
109.02808	1.3
114.05473	0.3
121.02822	11.1
123.00701	0.4
123.04412	0.3
127.04970	0.3
128.03432	0.4
135.04395	0.8
137.02322	12.5
141.01572	0.5
149.02332	0.8
151.03871	0.9
161.02295	0.7
163.03871	0.3
164.01060	5.0
165.01833	100.0
165.07408	1.1
166.02129	1.8
166.08588	0.4
177.01865	0.8
179.03415	2.1
189.01825	0.7
207.02954	2.9
232.18027	0.4
327.07230	1.4
369.08286	46.3
370.08588	2.2
375.77814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24947	2.6
53.43444	2.5
59.01239	30.0
62.64345	3.2
71.01230	8.9
74.43542	3.0
78.95742	6.6
89.02318	4.4
91.72732	4.3
96.06133	3.1
96.95850	3.6
96.96807	4.4
97.23382	3.2
131.08151	31.5
172.00925	14.2
173.10378	7.8
196.05710	20.6
201.02495	16.8
217.00240	4.1
227.07201	4.4
231.08316	6.4
238.06831	100.0
247.19398	3.9
255.09499	91.2
256.09689	7.5
273.10666	15.7
315.11615	22.2
351.17657	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48283	7.7
51.64056	8.0
59.01239	100.0
61.98694	20.9
71.01228	49.4
73.02815	26.8
85.02795	18.6
88.98654	11.5
89.02299	28.9
93.25423	9.4
100.29227	8.3
101.02318	38.9
113.02309	20.1
114.05492	12.6
116.78577	8.5
128.03415	16.4
147.04402	27.1
165.05464	40.5
192.07913	11.8
201.69092	9.3
222.66551	10.7
255.41759	15.6
258.73129	11.6
309.09763	66.6
322.76688	12.5
327.10803	96.3
342.33386	11.9
369.11935	89.0
413.13452	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75827	0.4
55.01740	0.5
55.21693	0.4
57.03311	0.6
58.00438	0.6
59.00016	1.6
59.01242	100.0
59.02608	1.0
60.01576	0.8
69.03318	1.7
71.01240	34.0
72.99189	0.7
73.01118	1.4
73.02804	87.8
74.03156	0.5
74.11230	0.5
75.00729	1.1
83.01240	20.2
85.02793	4.1
87.00735	1.1
89.02294	7.3
91.73344	0.8
93.06946	1.8
95.01237	1.2
97.02806	1.6
99.00702	0.9
101.02303	60.8
113.01563	0.8
113.02312	12.9
113.03095	0.7
119.03391	2.7
119.08501	1.1
125.02302	2.1
131.03363	4.6
132.05824	0.5
143.03381	4.4
147.11685	19.4
149.04454	3.5
155.03366	1.9
157.22934	0.5
161.04454	9.2
185.29691	0.6
191.10692	18.1
191.12422	1.0
192.10983	0.6
203.05484	0.8
209.11739	1.1
227.88867	0.5
265.12466	0.5
280.30289	0.4
340.84351	0.4
371.17249	0.9
413.18173	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00065	1.8
59.01244	100.0
59.02588	1.1
59.83069	0.1
60.01584	0.5
67.73863	0.2
71.01237	0.3
101.02318	0.2
126.90345	1.0
133.06508	0.3
135.04411	0.9
149.04890	0.2
149.09616	15.7
150.09978	0.3
182.78365	0.2
209.05281	0.2
276.90375	0.2
286.05096	0.4
287.67426	0.2
305.22885	0.2
335.00449	0.1
353.16144	0.2
373.84738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37295	23.5
59.01230	33.0
63.13715	20.4
71.38355	22.4
72.61963	22.8
85.27994	22.1
91.44276	23.4
106.60365	23.3
112.48521	23.6
118.42078	25.3
143.70561	22.5
163.11159	54.4
164.72777	23.9
175.83907	29.7
197.46530	27.0
218.33565	26.9
235.96710	27.5
286.00980	27.4
339.20197	41.0
353.21246	100.0
383.30594	28.4
433.32205	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04959	0.4
59.00044	1.9
59.01244	100.0
59.02299	1.1
60.01585	0.7
63.14263	0.5
63.15985	0.3
64.96093	0.3
68.62658	0.4
75.31158	0.4
87.75616	0.4
114.05051	0.4
128.84651	0.5
237.32332	0.5
270.90042	0.4
318.51382	0.4
323.25888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12872	0.4
57.62322	0.6
59.01246	3.3
61.97511	1.3
61.98695	100.0
62.00045	1.5
67.39291	0.4
70.86187	0.4
71.01244	1.7
75.24117	0.5
85.02808	4.3
89.02306	4.6
91.35081	0.4
101.02311	1.6
108.02026	0.4
108.08036	0.5
113.02308	1.0
119.03407	1.8
128.03424	0.5
141.59555	0.5
151.34880	0.5
152.01080	0.7
167.03423	1.6
171.06549	1.1
179.05554	3.3
265.09201	3.3
315.12558	0.6
336.22534	0.5
351.13190	1.8
414.24149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40498	0.3
53.94270	0.2
58.79692	0.2
59.01242	5.6
59.59171	0.2
64.00029	0.2
71.01252	0.8
72.99165	0.3
75.00747	0.9
76.43488	0.2
78.95770	0.6
83.01227	0.3
87.00719	0.4
88.03917	0.4
92.11344	0.2
99.00755	0.3
106.04073	0.3
107.04893	1.2
128.03415	0.8
129.13998	0.3
133.02853	0.6
133.99936	0.9
134.03612	79.2
134.07886	0.8
135.02870	3.0
135.03969	1.5
137.02330	2.6
139.03845	0.6
149.05969	26.9
150.03255	0.3
150.06290	0.5
150.72166	0.3
151.03880	0.5
158.20265	0.3
178.02628	17.8
179.02916	0.6
191.00629	0.3
192.99553	1.7
193.04988	100.0
193.12379	1.0
194.05301	3.4
203.03149	0.3
209.18292	0.3
211.80923	0.3
235.06169	0.5
281.19550	0.3
299.20807	0.4
307.99023	0.4
329.03302	0.5
355.10379	1.7
415.22076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18312	0.6
57.03312	0.8
59.01239	6.5
61.98689	1.7
71.01239	2.0
73.02805	1.5
100.61994	1.1
101.02330	1.3
128.03380	1.5
131.08554	5.1
134.06038	1.3
149.09613	30.1
167.10672	38.9
168.11082	1.5
207.97308	1.0
211.09700	100.0
212.10104	3.2
254.88454	1.0
288.24243	1.1
295.10931	1.2
415.16119	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18312	0.6
57.03312	0.8
59.01239	6.5
61.98689	1.7
71.01239	2.0
73.02805	1.5
100.61994	1.1
101.02330	1.3
128.03380	1.5
131.08554	5.1
134.06038	1.3
149.09613	30.1
167.10672	38.9
168.11082	1.5
207.97308	1.0
211.09700	100.0
212.10104	3.2
254.88454	1.0
288.24243	1.1
295.10931	1.2
415.16119	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1975
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.94743	0.6
51.46034	0.5
55.01741	1.1
57.03303	1.2
59.00049	1.0
59.01242	47.4
61.52749	0.9
61.98685	0.8
65.46751	0.6
69.03300	0.7
71.01238	18.4
72.54881	0.7
72.99174	1.7
73.02800	6.5
77.86967	0.6
80.24718	0.6
81.05785	0.6
83.01248	4.0
84.06197	0.6
85.02803	9.2
87.00725	2.9
89.02294	6.1
95.01229	1.7
97.02801	1.0
98.33631	1.1
99.00757	1.5
101.02303	13.4
104.07191	0.6
112.01546	0.9
113.02304	8.5
118.99487	0.6
119.03369	2.0
125.02312	1.8
126.90271	0.8
128.03366	0.8
129.59639	0.6
152.04369	1.3
181.12268	2.1
193.12262	6.2
211.13347	16.8
312.60782	0.8
328.99829	0.7
355.17679	22.1
356.17896	0.7
373.18683	55.4
374.18985	2.1
379.95944	0.8
415.19763	100.0
416.20041	5.1
417.79224	0.7
428.16357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34695	0.4
59.01238	0.5
61.84127	0.4
62.69243	0.3
68.65748	0.4
69.38057	0.4
74.98956	5.4
76.98726	0.8
77.00521	65.7
88.71004	0.4
100.99033	0.4
101.83110	0.4
114.65089	0.5
147.08014	2.3
149.09633	1.7
161.09601	1.5
163.11156	2.3
174.10368	0.4
187.11133	2.2
255.23257	0.5
279.14035	1.1
280.14627	1.8
282.45117	1.9
307.17197	0.8
309.22235	2.1
322.19504	0.8
337.21765	100.0
338.22147	5.0
415.17459	0.7
415.23129	13.5
416.23438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28552	1.8
59.00074	1.9
59.01241	100.0
65.74063	1.7
72.84547	1.7
80.09138	1.8
82.07027	1.8
169.79227	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97519	0.6
52.97718	0.3
55.60975	0.2
57.03312	0.7
59.01242	1.8
61.61351	0.3
61.98702	0.3
62.62964	0.3
71.04883	1.0
72.04407	1.1
73.02808	0.7
74.02333	0.4
79.55564	0.3
82.02836	0.5
82.69344	0.4
84.04404	6.9
85.02809	0.5
85.69333	0.5
85.69791	0.4
91.73335	0.5
95.04874	0.4
97.06455	2.7
99.07999	0.9
99.08663	0.2
102.02638	0.3
102.05465	12.8
109.06470	0.4
111.08017	1.9
114.09109	2.5
123.08002	0.3
125.09586	1.4
127.11163	3.4
128.03407	42.3
129.03801	0.6
137.09615	0.3
139.11188	0.5
142.12276	0.7
146.04457	2.7
151.11183	0.3
163.11266	0.4
169.12273	1.1
184.17006	1.8
191.14284	0.4
207.17493	9.4
208.17892	0.3
209.15392	0.4
212.10425	0.4
212.16507	0.7
213.11232	1.3
225.18640	0.8
243.19666	1.5
251.16519	22.6
252.16835	1.2
266.24786	0.3
269.17606	21.3
270.18015	1.3
282.24368	1.2
286.20337	0.6
287.18652	47.5
288.18933	1.6
291.56924	0.4
292.22791	0.6
310.23831	2.9
323.26758	0.3
328.25027	0.5
336.21814	0.8
354.22842	3.1
372.23935	6.0
373.24210	0.4
398.21762	5.6
399.22113	0.4
416.22934	100.0
417.23306	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97513	1.0
52.97726	0.5
57.03321	0.6
59.01233	3.3
61.98684	0.7
65.05326	0.5
66.03321	0.5
68.82919	0.5
69.03327	0.8
72.04388	1.2
76.68973	0.5
82.02821	0.6
84.04401	7.1
85.02814	1.1
85.06441	1.2
85.69368	0.8
85.69798	0.8
96.35390	0.5
97.06483	0.9
99.08000	1.0
101.02280	0.6
102.05470	13.8
114.09109	2.8
126.09135	1.0
127.99860	0.6
128.03404	40.7
139.11139	1.5
146.04446	2.6
146.46722	0.6
156.13818	0.7
171.11481	0.6
196.16888	0.6
198.18616	2.1
205.56250	0.5
207.17467	9.5
225.18605	2.2
240.19487	0.8
243.19708	3.5
251.16548	17.1
254.23746	0.6
266.24884	0.8
269.17593	22.7
270.17935	1.2
287.18637	38.3
288.18997	1.5
310.23895	2.3
346.07849	0.6
354.22964	3.4
372.24167	3.2
398.21970	3.3
416.22949	100.0
417.23132	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71410	1.5
59.01235	16.0
61.83571	1.5
61.98662	2.0
73.02794	3.2
79.71618	1.4
81.55023	1.7
83.01231	2.0
83.04870	2.3
84.04416	2.1
85.02798	1.9
85.79023	1.7
101.02345	2.7
102.05470	34.4
119.47652	1.8
119.83943	2.0
128.03409	59.8
146.04462	10.8
151.11214	2.2
207.17590	9.9
218.13055	2.0
230.92436	2.1
251.16560	15.1
269.17606	23.5
287.18686	38.0
349.47842	2.2
372.24106	4.5
381.11478	2.2
398.21976	6.0
416.22989	100.0
417.23065	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
54.84713	1.4
58.36074	1.6
59.01241	100.0
59.02420	1.4
61.98680	1.7
71.01237	24.8
73.02800	16.8
75.00721	4.5
83.01228	5.4
83.04871	2.4
85.02813	11.5
87.00749	4.1
89.02295	12.2
101.02299	29.1
113.02295	8.4
115.03825	2.1
119.03351	4.2
128.03378	8.0
161.04446	4.1
169.12225	2.5
171.07588	2.1
177.09148	4.5
195.10089	2.7
231.04364	2.0
249.05446	2.1
317.64703	2.5
331.17538	6.5
339.14337	4.2
350.60184	2.2
357.15414	16.0
375.16721	5.1
399.16562	11.7
417.17603	66.5
418.17725	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02568	0.3
55.26915	0.3
58.54020	0.3
58.99899	1.0
59.01244	100.0
59.02420	2.0
60.01559	0.4
61.39598	0.3
61.98695	0.7
68.36189	0.3
69.92912	0.3
71.01234	2.2
72.00755	1.0
73.02803	2.2
74.02335	5.0
75.00735	1.0
85.02829	1.3
87.00755	1.2
89.02307	0.9
96.95877	2.5
101.02290	2.4
102.05482	1.1
113.01059	2.1
113.02333	1.1
114.01874	0.6
115.07618	0.4
116.04915	2.7
126.09167	0.8
126.11241	0.3
128.03406	4.6
130.08633	0.6
136.37128	0.4
142.06581	0.6
143.04530	1.2
146.04532	1.1
147.06978	0.4
153.07852	0.6
153.09119	0.4
155.11761	0.4
157.13396	1.0
159.09200	0.9
161.04541	0.8
165.32742	0.4
165.76138	0.4
170.08136	4.4
171.14943	0.7
171.88594	0.6
195.10275	0.5
197.13000	1.1
198.07968	0.5
203.08209	2.5
213.06615	0.5
215.13971	4.8
225.11482	0.8
255.15143	1.3
289.12128	1.8
299.14185	1.5
304.76318	0.4
306.07864	1.3
331.17734	0.4
344.19818	22.5
357.15738	0.8
374.17963	0.5
417.17487	2.4
418.16638	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34920	0.3
51.68343	0.3
58.99900	1.0
59.01242	100.0
59.02413	1.9
59.36984	0.3
60.01573	0.7
61.98670	0.4
63.58054	0.3
65.18153	0.3
66.95744	0.3
71.46616	0.3
71.55478	0.3
72.99171	0.7
75.00729	3.3
79.43816	0.3
83.83900	0.4
89.02313	0.7
91.00235	1.0
96.95869	3.8
99.70701	0.3
116.07066	1.9
116.31205	0.4
120.45404	0.4
125.02383	0.5
135.02901	2.9
135.04390	0.7
143.11804	3.2
151.00282	0.6
179.03462	1.0
199.12503	0.4
254.98140	0.5
272.76852	0.5
316.20279	2.3
343.25180	1.6
373.07892	0.5
396.04825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.1
68.64845	0.5
71.01221	1.0
72.99153	1.2
73.02831	0.5
75.00731	18.7
87.00728	0.5
88.98672	1.1
89.02306	4.1
96.95850	1.7
99.05484	0.4
105.38463	0.5
114.09090	0.5
115.82454	0.4
117.01804	1.8
120.01133	1.3
128.03430	3.0
133.02809	1.6
134.98152	1.0
135.02875	100.0
135.04344	7.8
136.03206	1.3
146.99492	0.5
161.02335	3.6
179.03410	5.9
297.06174	19.9
298.06601	1.0
401.36865	0.5
414.02811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00068	1.8
59.01241	100.0
59.02562	0.8
60.01564	0.4
61.80703	0.3
64.14569	0.4
72.00772	3.0
74.02325	15.6
102.05466	0.6
105.11150	0.4
110.62128	0.4
113.01038	9.0
114.01845	1.4
115.07535	0.7
116.04924	9.9
124.03938	0.8
126.09133	2.2
128.03404	1.7
130.06512	1.0
142.06531	1.6
142.08656	0.4
143.04480	0.7
152.07025	0.4
153.06773	0.5
153.07831	2.7
155.11823	1.4
156.06833	1.0
157.07632	0.6
157.13341	2.8
159.09171	3.3
169.07600	0.6
169.13364	0.9
170.08128	14.5
171.14940	1.5
171.88541	1.9
183.14870	0.4
184.58679	0.4
186.05505	0.7
197.12888	2.7
198.07924	1.9
203.08197	10.2
213.06697	0.9
215.13954	14.0
227.15480	0.7
232.17023	0.5
255.15030	4.7
271.14572	0.5
299.14035	7.8
300.20856	1.2
306.07697	1.0
344.19794	73.3
345.20135	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08353	3.0
55.01746	19.6
58.02839	55.9
59.01243	81.7
71.01234	7.9
73.02805	29.9
75.00762	3.4
83.01241	82.5
86.02302	4.4
89.18351	3.7
91.51564	3.7
99.45348	3.4
100.03883	4.8
101.02312	16.4
111.19611	3.6
113.02307	8.1
140.03398	9.9
141.53645	4.0
142.04980	100.0
215.16469	90.0
243.68094	4.1
257.17639	8.6
372.59576	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78648	0.4
54.48604	0.3
55.01744	0.5
57.03316	1.1
58.99988	1.5
59.01242	100.0
59.02333	1.3
60.01580	0.4
69.03322	0.7
70.59485	0.4
71.01238	18.5
71.04878	4.1
73.02804	12.3
73.03201	0.7
83.01237	3.8
84.02045	0.4
84.56812	0.4
85.02803	7.9
87.00744	0.7
89.02309	1.2
95.01247	1.1
97.02796	0.7
99.00741	2.1
99.08044	0.8
101.02303	11.3
111.00810	0.4
113.02315	6.5
117.03306	0.7
118.90747	0.4
125.02284	0.9
127.11160	12.5
137.02313	0.5
143.03397	0.8
151.00189	0.5
153.09122	2.9
153.83713	0.4
159.02965	0.8
159.04434	1.5
161.04451	5.7
162.86249	0.4
171.10172	53.6
172.10504	1.3
177.01814	4.3
187.03897	0.8
203.05457	1.9
224.99007	0.5
254.73036	0.5
289.16599	2.3
296.56158	0.5
346.43027	1.2
371.95493	0.4
375.16666	4.6
391.04544	3.0
419.04099	4.6
420.04605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	100.0
61.27878	1.9
61.98668	2.7
71.01237	14.3
73.02804	10.9
82.64201	2.1
83.01254	4.2
85.02824	3.6
89.02280	12.3
91.72734	2.1
101.02306	15.4
113.02309	5.5
115.03972	2.1
116.30237	1.8
119.03380	4.2
128.03394	3.2
135.04416	6.4
140.14238	2.4
161.04456	2.6
161.41458	2.7
167.25337	2.4
179.03418	7.8
179.05695	2.3
183.58929	2.1
184.78371	2.2
199.74625	2.5
333.15530	4.1
362.06415	2.7
375.16794	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.9
57.03316	2.5
59.00069	1.9
59.01243	100.0
61.98688	2.5
67.81834	0.9
71.00872	1.9
71.01241	26.5
73.02803	14.6
83.01250	9.1
85.00708	0.9
85.02806	17.5
85.03304	1.6
85.99944	1.2
87.00727	2.2
89.02301	2.8
95.01254	1.7
97.02795	1.7
99.00742	5.3
101.02306	29.2
111.00748	1.5
113.02302	10.4
128.03394	3.2
129.01804	2.1
135.11664	2.4
143.03365	1.5
159.02893	1.9
161.04439	8.2
162.08334	1.1
162.16779	1.1
197.11778	2.1
289.16599	29.6
290.16815	1.5
315.14505	2.0
322.27774	1.2
333.15601	9.2
337.12753	1.5
359.17096	1.3
375.16635	75.7
376.16943	3.2
377.18320	1.7
400.71637	1.1
419.18845	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0568
Annotation	aurintricarboxylic acid
Peak:m/z	Relative Intensity
51.19549	0.3
53.82439	0.3
58.44632	0.4
59.01241	9.7
59.33382	0.3
60.01578	0.3
61.01644	0.4
65.14610	1.3
65.14995	0.7
71.01237	1.3
71.04864	0.4
73.02798	1.2
78.95760	0.4
85.02766	0.4
91.73351	0.4
93.03314	6.7
95.04875	0.5
95.80920	0.3
96.89764	0.7
97.99651	0.3
101.02332	0.6
102.02631	0.5
105.03358	0.5
109.02799	0.8
109.31521	0.4
115.05404	0.5
119.01244	1.7
121.02819	11.5
123.04396	0.5
125.02300	0.4
127.11153	0.7
128.11446	0.5
133.02817	3.5
133.06470	1.4
135.04396	0.5
137.02328	5.5
139.03860	1.0
143.04872	2.2
145.02835	1.0
145.06416	0.4
146.03633	0.8
147.00751	0.4
147.04399	1.7
149.02333	5.3
152.06940	0.3
159.04404	1.1
161.02316	0.8
161.05992	2.8
167.98845	0.5
169.02884	0.4
171.04436	3.8
171.10199	2.4
172.05229	0.7
172.10486	1.8
173.02330	1.3
174.03088	2.9
175.00293	3.4
175.03902	1.7
177.01842	100.0
177.07790	1.2
178.02213	2.1
183.04440	0.7
187.03918	0.7
188.04744	1.5
189.05515	9.2
197.02390	0.9
198.03247	0.6
199.02177	0.4
199.03929	5.9
201.01846	1.2
202.99794	9.4
207.99886	0.3
211.03928	1.6
215.03394	0.9
217.04994	6.3
227.03442	1.5
239.03418	0.7
240.04323	0.6
241.05157	0.4
243.02966	7.9
261.04077	0.5
268.03784	0.8
275.07123	0.6
285.03943	0.4
291.06427	0.5
302.05780	0.4
303.06567	1.2
306.05447	0.5
319.06415	0.5
321.07544	0.7
331.06076	1.2
334.04831	0.6
343.91577	0.4
347.05600	0.3
349.07065	0.9
357.97903	0.5
359.05859	0.4
377.06833	1.2
395.30371	0.4
403.04865	1.1
421.05673	96.9
422.06006	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1556
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
50.90952	7.8
55.10226	7.7
55.27611	7.5
59.01216	10.2
61.98698	17.4
72.99187	9.5
79.95591	10.4
116.72893	10.5
120.80417	8.5
125.77720	9.7
218.25998	10.0
234.56131	10.9
265.06369	9.7
280.91272	9.9
380.25638	13.0
386.36237	10.5
421.15646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03949	1.2
59.00972	2.3
59.01244	31.5
59.01528	1.1
60.01571	3.1
61.01660	1.8
61.97489	1.5
61.98693	100.0
61.99989	2.0
62.14492	1.2
71.01241	2.1
73.02788	2.3
74.02323	2.5
75.00729	1.6
78.32478	1.3
78.95760	1.6
80.60720	1.3
81.77141	1.2
86.77360	1.3
89.02282	2.0
92.12839	1.3
100.03892	2.1
101.02296	3.0
104.17913	1.5
107.39812	1.3
111.55828	1.3
113.02263	1.6
116.04932	1.9
128.03418	2.0
130.04973	4.1
132.35376	1.4
141.03600	1.3
174.04097	1.5
176.13489	1.4
209.45522	1.3
216.46109	1.5
217.14415	2.3
232.29155	1.5
239.23720	1.6
241.09712	3.7
345.20026	1.6
346.20386	7.4
347.20590	2.2
357.79297	1.6
379.19394	2.7
393.29028	1.6
421.16229	6.1
421.21255	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	47.3
59.07242	2.4
61.98687	14.0
70.02839	8.7
71.01230	5.4
71.04889	10.0
73.02814	4.4
74.02321	4.3
75.05714	3.0
80.14115	2.8
85.02818	3.7
87.05490	3.9
96.95872	3.3
99.04392	4.3
101.02310	4.8
112.37327	3.2
116.03398	8.4
116.07087	4.8
128.03517	4.1
130.03200	12.7
135.72757	3.0
140.03398	3.6
146.08110	84.5
203.12827	43.0
217.11897	12.1
277.12289	100.0
278.12555	3.6
349.71350	3.6
393.82950	4.1
421.16968	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79091	0.7
55.01740	0.7
57.03305	1.0
58.60647	0.8
59.00129	0.8
59.01244	51.6
59.02464	1.1
61.52083	1.1
61.98691	0.9
65.95943	0.7
68.77332	0.6
71.00870	1.1
71.01241	15.4
72.99155	1.7
73.02802	6.2
75.71954	0.8
78.64507	0.6
83.01231	2.7
85.02797	7.7
87.00723	2.5
87.92663	0.8
88.81016	1.4
88.81490	1.1
89.02291	4.3
95.01246	1.5
99.00700	1.0
100.04941	0.7
101.02313	10.8
111.00785	0.8
113.02316	4.5
119.03432	0.8
125.02334	1.2
127.11143	2.3
128.03383	1.7
130.04889	0.9
135.04442	1.3
139.46230	0.8
152.99420	0.8
155.10664	5.0
158.69304	0.7
161.51456	1.0
171.10153	0.7
173.11746	62.0
174.12097	1.0
185.11650	1.4
187.13338	1.9
197.42390	0.7
215.12785	1.0
224.97154	0.8
317.16074	24.1
318.16461	1.1
335.17145	87.0
336.17471	2.8
377.18198	100.0
378.18417	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79091	0.7
55.01740	0.7
57.03305	1.0
58.60647	0.8
59.00129	0.8
59.01244	51.6
59.02464	1.1
61.52083	1.1
61.98691	0.9
65.95943	0.7
68.77332	0.6
71.00870	1.1
71.01241	15.4
72.99155	1.7
73.02802	6.2
75.71954	0.8
78.64507	0.6
83.01231	2.7
85.02797	7.7
87.00723	2.5
87.92663	0.8
88.81016	1.4
88.81490	1.1
89.02291	4.3
95.01246	1.5
99.00700	1.0
100.04941	0.7
101.02313	10.8
111.00785	0.8
113.02316	4.5
119.03432	0.8
125.02334	1.2
127.11143	2.3
128.03383	1.7
130.04889	0.9
135.04442	1.3
139.46230	0.8
152.99420	0.8
155.10664	5.0
158.69304	0.7
161.51456	1.0
171.10153	0.7
173.11746	62.0
174.12097	1.0
185.11650	1.4
187.13338	1.9
197.42390	0.7
215.12785	1.0
224.97154	0.8
317.16074	24.1
318.16461	1.1
335.17145	87.0
336.17471	2.8
377.18198	100.0
378.18417	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15889	0.3
56.87895	1.3
72.99175	0.4
80.91508	0.3
90.37172	0.3
91.72953	0.7
95.54493	0.5
101.09880	0.3
107.19591	0.4
147.08057	0.3
163.05974	1.1
163.11185	100.0
163.17067	0.8
164.11542	2.5
273.95337	0.4
339.23315	64.7
340.23648	2.7
343.24432	0.3
379.20966	0.3
409.56232	0.4
421.22488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	0.6
59.01227	1.8
61.33792	0.4
71.01228	0.9
72.00764	2.2
72.99168	0.5
74.02322	0.7
82.02832	1.5
84.04413	2.2
85.02808	0.5
89.14892	0.4
91.05392	1.2
95.73708	0.4
101.02272	0.5
101.07071	0.7
102.05486	0.5
107.04896	0.9
108.05203	0.7
109.03923	4.8
112.03909	1.2
118.06528	0.5
127.04065	1.1
127.05002	16.5
128.03404	100.0
128.07324	1.1
129.03748	1.5
146.04475	0.8
147.04402	11.0
162.49408	0.5
164.07065	20.7
173.02129	1.1
174.02477	0.9
180.28336	0.6
194.09271	0.9
195.07718	0.9
213.10229	0.6
231.11496	1.1
232.07321	0.5
234.45073	0.5
239.06738	2.2
249.12479	1.1
257.09299	2.2
275.10397	24.0
276.10724	1.2
293.08167	0.6
293.11447	11.3
294.11627	0.5
299.10507	0.6
318.06757	0.8
379.15802	0.6
386.13583	3.9
404.14670	6.0
422.15802	14.3
423.16214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1669
Annotation	Neolinustatin
Peak:m/z	Relative Intensity
56.30462	0.3
57.03305	0.4
57.91020	0.7
59.00033	0.5
59.01242	25.4
59.02336	0.4
59.02582	0.3
69.03302	0.3
70.99625	0.6
71.01238	37.7
71.04876	8.2
72.00763	0.5
72.01579	0.3
72.99175	0.4
73.02805	8.3
75.00726	0.3
81.84011	0.3
83.01235	2.6
85.02805	3.4
86.02323	0.4
87.00729	1.0
88.03890	5.7
89.02295	5.8
91.73392	0.4
92.33559	0.3
95.01250	0.7
97.02788	0.3
99.00745	0.8
99.04387	1.7
101.02298	9.8
102.02647	0.3
102.55616	0.2
108.08112	0.2
113.02307	5.2
114.05505	0.5
116.03399	0.9
116.07011	1.2
119.03358	1.7
124.03888	0.3
125.02302	0.7
126.09135	0.7
128.07030	3.6
129.05458	0.8
130.08586	0.4
143.03369	0.7
146.03325	0.7
146.08110	65.1
147.08473	0.9
161.04485	1.2
168.41362	0.2
174.11296	0.6
176.58299	0.3
179.05579	0.3
188.09186	0.6
200.09206	2.2
218.10356	0.9
249.79602	0.3
263.11407	0.9
290.12491	8.7
308.13513	10.4
350.14478	1.8
362.14627	5.9
380.15640	9.9
381.16147	0.4
404.15643	1.4
422.16708	100.0
423.17053	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00970	1.7
59.01243	20.8
60.89515	0.9
61.98673	1.8
67.78029	0.9
71.01239	51.9
71.04883	7.3
73.02799	4.6
74.02316	1.6
79.74854	0.9
83.01232	4.8
84.78074	1.1
85.02813	10.0
88.03889	7.9
89.02283	2.6
93.03336	5.5
93.72668	1.0
95.01279	1.7
97.72319	1.1
99.00714	1.1
99.04385	2.1
101.02283	8.5
104.03404	2.6
113.02301	10.8
114.05466	2.4
116.03426	1.3
116.07064	1.1
119.03296	1.2
128.03401	1.6
128.07040	3.8
130.65096	1.1
137.02333	8.3
138.02666	2.2
143.03413	1.7
146.08113	51.0
161.04382	1.8
207.30939	1.2
218.10306	1.3
271.79141	1.1
273.12521	1.2
290.12537	10.5
299.10126	1.3
308.13553	5.8
317.39459	1.2
346.96741	1.4
362.14600	48.5
363.14511	1.7
380.15625	19.8
406.33588	1.4
422.16721	100.0
423.16986	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24485	1.0
51.36199	0.9
52.87290	1.0
55.11559	1.1
59.01241	5.7
61.17143	1.0
61.98685	1.7
68.99664	2.1
70.02834	1.4
71.01241	1.4
71.04861	1.6
78.95765	2.7
83.01228	1.0
93.03300	3.1
96.05033	1.2
101.56644	1.0
101.61552	1.4
101.74847	1.1
113.03431	1.6
114.41108	1.3
117.03333	10.4
119.04893	3.5
121.02802	7.1
133.02797	1.3
135.04399	19.8
143.04840	1.4
145.02834	43.1
145.06465	1.6
146.08138	9.8
147.04382	6.6
149.02283	2.5
150.03151	2.3
151.03839	2.7
158.03564	3.1
159.04398	10.6
161.02350	3.8
171.04413	1.7
171.54370	1.2
173.05977	3.2
174.03107	5.6
175.03906	55.7
176.04268	2.5
177.01840	71.1
177.05331	3.2
188.04697	2.6
189.05487	10.9
191.03394	2.5
193.04990	37.0
201.01903	3.7
201.05409	3.0
202.02765	1.3
203.03389	2.3
217.05000	68.9
217.11983	2.5
218.05408	2.3
219.02916	23.8
219.56369	1.5
243.03026	4.8
245.04588	10.1
261.04037	100.0
262.04355	3.5
277.12372	8.4
287.01926	1.8
313.03592	2.5
423.07220	69.0
423.15652	8.7
424.07483	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24485	1.0
51.36199	0.9
52.87290	1.0
55.11559	1.1
59.01241	5.7
61.17143	1.0
61.98685	1.7
68.99664	2.1
70.02834	1.4
71.01241	1.4
71.04861	1.6
78.95765	2.7
83.01228	1.0
93.03300	3.1
96.05033	1.2
101.56644	1.0
101.61552	1.4
101.74847	1.1
113.03431	1.6
114.41108	1.3
117.03333	10.4
119.04893	3.5
121.02802	7.1
133.02797	1.3
135.04399	19.8
143.04840	1.4
145.02834	43.1
145.06465	1.6
146.08138	9.8
147.04382	6.6
149.02283	2.5
150.03151	2.3
151.03839	2.7
158.03564	3.1
159.04398	10.6
161.02350	3.8
171.04413	1.7
171.54370	1.2
173.05977	3.2
174.03107	5.6
175.03906	55.7
176.04268	2.5
177.01840	71.1
177.05331	3.2
188.04697	2.6
189.05487	10.9
191.03394	2.5
193.04990	37.0
201.01903	3.7
201.05409	3.0
202.02765	1.3
203.03389	2.3
217.05000	68.9
217.11983	2.5
218.05408	2.3
219.02916	23.8
219.56369	1.5
243.03026	4.8
245.04588	10.1
261.04037	100.0
262.04355	3.5
277.12372	8.4
287.01926	1.8
313.03592	2.5
423.07220	69.0
423.15652	8.7
424.07483	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38032	0.5
57.03307	1.1
59.01243	10.0
59.29050	0.6
68.99672	3.6
69.03300	0.9
71.01234	4.2
72.99181	1.2
73.02784	2.3
75.00723	1.3
76.83208	0.7
78.63127	0.7
83.01236	2.5
84.97505	0.6
85.02798	7.9
87.00722	5.6
89.02311	0.7
89.28753	1.8
89.29259	1.0
95.01257	1.9
96.95861	2.3
96.96826	0.7
97.02799	1.6
99.00742	6.9
101.02296	2.8
111.00740	5.0
112.98654	1.4
113.02311	9.0
113.99450	27.2
115.00236	14.5
121.88831	0.7
125.02353	0.7
127.00242	4.3
128.03352	1.3
129.01828	3.9
139.00224	2.2
141.01802	1.5
157.01308	7.2
169.01309	1.8
174.01595	25.9
175.02373	3.3
190.78214	0.8
233.83862	0.9
259.04700	2.4
277.05673	13.7
278.05914	0.8
319.06711	20.5
337.07788	76.8
338.08102	1.9
379.08835	100.0
380.09222	3.4
405.06461	0.9
423.07813	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49735	0.5
58.99961	1.7
59.01241	100.0
59.02375	2.2
65.29380	0.7
73.02785	0.8
83.01203	0.9
91.63980	0.6
113.02322	1.2
121.02811	5.2
126.04968	0.8
161.82506	0.7
173.97466	0.8
191.82541	0.8
279.01996	2.2
300.11743	1.0
341.03549	1.9
363.20468	1.5
423.06821	1.9
423.16251	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92268	0.6
55.99038	0.6
59.00069	1.9
59.01242	100.0
59.02538	1.4
60.41152	0.7
62.64921	0.7
63.57457	0.9
71.01235	4.7
73.02811	2.1
78.95766	1.0
85.02812	1.8
89.02308	4.4
101.02307	5.1
106.09806	0.8
113.02328	2.4
116.64907	0.7
119.03365	1.9
125.02338	1.1
161.04431	1.0
275.41040	0.8
367.13794	1.3
423.16382	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08225	0.5
58.99923	1.4
59.01241	100.0
59.02409	1.8
60.16647	0.5
63.57532	0.8
68.71936	0.6
71.01235	5.3
73.02803	3.6
78.95781	1.9
83.01256	1.1
85.02817	2.0
89.02289	3.9
99.74684	0.6
101.02269	3.9
103.59899	0.6
111.01882	1.2
113.02317	2.7
119.03365	1.7
123.92100	0.6
125.02332	0.7
140.34421	0.6
161.04413	0.8
189.44383	0.7
195.07932	0.6
232.67152	0.6
297.43777	0.7
300.10330	0.6
357.95273	0.7
396.93060	0.7
406.61121	0.7
407.16907	0.6
423.16101	6.2
425.45239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3272
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
59.31037	0.3
63.98594	0.3
71.30991	1.2
115.36351	0.3
120.67957	0.7
120.68730	0.3
162.26677	0.4
163.22400	0.3
168.09933	0.4
189.12703	0.9
205.15918	100.0
205.23697	1.0
206.16277	2.7
266.30042	0.4
302.72098	0.5
423.16867	2.3
423.32755	63.5
424.33075	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30212	0.3
59.01246	2.4
60.99184	0.4
63.33258	0.3
72.00764	19.3
73.46130	0.6
86.76079	0.4
100.00262	100.0
100.02867	1.5
100.03893	7.1
101.00615	0.5
128.03421	1.6
144.02908	87.5
145.03242	1.0
148.06143	1.8
161.02335	3.1
208.99144	0.6
225.09734	0.6
313.82239	0.5
392.71942	0.4
419.31866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2186
Annotation	Sinulaflexiolide C
Peak:m/z	Relative Intensity
52.88853	2.0
59.01243	100.0
59.28573	2.4
63.55226	2.5
63.67055	2.5
67.78123	2.5
71.01242	34.8
73.02806	62.1
83.01244	14.3
85.02797	7.0
89.02303	12.3
91.73206	4.6
101.02307	48.6
113.02324	20.7
119.03383	5.3
131.03365	5.5
143.03410	4.9
146.98454	2.5
149.04442	6.6
149.76579	3.1
158.06729	3.4
161.04474	13.7
180.10683	3.4
192.90703	2.9
365.19717	11.9
383.20792	8.9
425.22000	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	2.7
58.79507	2.5
59.01242	100.0
59.02420	2.2
59.69929	2.3
59.84471	2.1
71.01237	57.2
73.02842	8.0
78.95773	5.3
83.01245	2.7
84.88863	2.4
85.02798	17.4
89.02295	69.1
91.72767	4.6
101.02298	35.5
113.02309	25.3
116.14066	2.2
119.03357	31.1
131.03369	4.4
140.75058	2.3
149.04521	3.5
161.04555	7.3
179.05560	6.1
201.52696	2.7
221.11725	2.7
277.92773	2.5
323.09982	3.5
348.10727	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66642	9.7
58.14315	10.8
59.01247	100.0
68.20449	12.5
68.22924	11.6
71.01245	14.7
72.01580	11.0
73.02805	55.0
83.01252	49.8
100.48595	14.0
101.02322	36.8
110.48666	11.6
113.02374	15.1
121.61023	12.9
142.04979	48.3
148.52843	14.7
155.55942	14.6
159.29599	14.4
179.35518	12.7
187.13301	78.8
197.62129	14.0
221.15471	27.2
222.15945	19.2
255.48006	15.3
302.56110	16.7
366.19928	31.3
383.20746	20.5
384.21130	43.4
426.18896	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64095	9.8
53.10374	10.4
57.40413	10.1
58.02829	11.2
59.01249	74.0
65.88140	11.8
66.18385	10.9
73.02815	40.6
73.65691	10.6
78.95760	14.1
83.01239	60.0
86.60367	12.1
100.03936	21.0
101.02316	52.9
102.05479	20.2
113.02332	20.0
140.03450	16.0
142.04996	100.0
149.53896	12.9
171.11351	14.0
174.17868	14.8
187.13348	70.3
202.07263	27.4
211.28423	12.8
221.70042	13.5
229.14452	18.5
384.85861	16.9
390.20355	17.4
426.19037	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54528	0.1
56.21954	0.1
59.01243	3.6
71.01237	0.4
73.02793	0.2
75.00742	0.1
88.00261	0.4
89.02312	0.3
90.72780	0.1
91.73396	0.1
92.30804	0.1
93.03274	0.6
94.51099	0.1
101.02342	0.2
117.03329	0.3
119.01563	1.4
119.04890	100.0
120.05214	1.8
121.02859	0.2
135.04352	0.2
161.05930	0.2
162.98315	0.8
163.03903	68.0
164.04228	1.5
205.05032	0.5
212.95378	0.1
228.17323	0.1
229.04980	0.2
245.40024	0.1
281.08817	1.7
295.13290	0.1
367.10339	8.9
368.10669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47592	0.6
57.03332	1.3
59.00014	1.8
59.01241	100.0
59.02348	1.5
60.01582	0.8
68.92240	0.7
71.01230	8.9
71.01524	0.8
72.83362	0.7
73.02808	4.4
73.04683	0.8
73.83455	0.8
75.00760	0.8
83.01248	2.4
85.02792	4.7
86.70687	0.6
89.02299	4.1
92.34438	0.7
94.70674	0.7
96.95891	1.7
99.00734	1.5
101.02294	7.9
103.48471	0.8
113.02299	5.4
134.90051	0.8
135.04477	1.4
143.03513	0.8
143.10599	0.8
147.04430	4.3
161.04517	3.2
163.60345	0.8
168.91872	0.7
179.03412	5.7
189.57832	0.9
195.70123	0.7
237.16916	1.0
287.15210	1.4
305.16040	11.6
305.19119	1.0
347.17126	6.4
383.09964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	47.8
59.19361	1.1
71.01238	43.9
72.00769	2.6
72.32053	1.1
72.99173	3.0
73.02802	21.0
74.02325	2.4
75.00723	12.9
75.96187	1.2
78.95751	10.1
79.95596	1.7
83.01241	5.4
84.94943	2.0
85.02808	14.3
87.00723	4.4
89.02296	39.2
93.03311	6.8
95.01253	3.1
96.95868	100.0
96.96847	4.1
97.02815	5.5
99.04372	1.9
101.02301	46.0
102.73956	1.4
103.03889	3.4
113.02303	24.7
117.01801	6.8
119.03367	16.2
119.04876	4.0
122.03605	22.4
126.63792	1.4
128.03442	1.6
131.03395	4.9
134.04585	1.8
143.03374	4.4
147.04462	1.6
149.04440	1.8
158.92407	3.5
159.02898	1.7
161.04433	19.2
163.03931	2.6
165.05466	2.0
168.27165	1.8
179.05522	22.8
180.06569	40.6
187.95126	1.6
221.06615	39.1
250.11620	1.4
263.07733	3.8
309.12015	2.8
329.08698	9.9
341.10767	3.6
383.11990	14.1
427.14600	77.7
428.14694	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89547	0.4
53.52785	0.5
56.83732	0.5
58.99913	0.8
59.01242	100.0
59.02431	2.1
60.01579	0.6
63.13425	0.5
63.15669	0.4
67.67056	0.5
71.01248	2.0
73.02827	0.8
78.95773	6.2
85.02791	0.7
87.27721	0.5
89.02299	0.5
96.95878	0.8
96.96839	1.5
101.02322	1.3
113.02328	0.9
114.05430	0.9
128.03456	1.2
144.24777	0.7
158.45387	0.5
161.04480	1.1
165.09143	0.6
178.42500	0.6
283.67786	0.7
302.19003	0.6
314.51315	0.7
357.09033	0.7
427.13388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01726	0.5
55.34317	0.4
57.03318	1.2
58.60627	0.4
58.99953	1.5
59.01242	100.0
59.02361	1.6
60.01588	0.9
62.35538	0.4
63.36692	0.4
63.57424	0.7
71.01241	8.5
73.02803	8.7
74.60681	0.4
83.01264	2.6
83.04885	0.5
85.02818	2.2
87.00727	1.2
89.02295	3.6
92.10081	0.5
95.01163	0.5
101.02303	8.5
107.88864	0.5
111.04400	1.0
113.02291	4.1
119.03378	1.0
131.03400	0.5
137.06007	1.0
142.22647	0.5
143.03378	1.0
149.05971	0.5
161.04451	1.1
163.11208	1.9
167.07016	0.8
167.51234	0.5
187.11198	0.6
205.12280	9.6
205.14066	0.7
216.05101	0.5
218.92151	0.5
223.13347	4.5
364.85968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
59.00122	1.7
59.01242	100.0
59.02509	1.3
60.01595	0.7
61.98699	1.3
63.57166	1.0
71.01244	10.0
73.02390	1.2
73.02799	13.6
83.01220	3.0
85.02804	1.8
85.41618	0.5
87.00729	0.7
88.01134	0.5
89.02322	2.6
95.01244	0.9
96.95879	2.2
101.02305	11.0
107.04892	1.0
111.04367	0.8
111.07969	0.7
113.02333	3.3
117.59886	0.6
119.03378	1.1
123.04353	0.6
128.03450	1.9
131.03384	1.6
133.94307	0.8
135.08038	0.7
137.05911	0.9
144.34677	0.6
149.04637	0.6
149.05995	1.5
159.04039	0.6
161.04440	1.0
163.11201	3.2
165.09082	0.8
166.46613	0.6
167.07025	0.7
167.08928	0.9
171.07692	1.1
171.23918	0.6
187.11194	1.4
189.09286	0.9
205.12277	15.9
211.07916	1.2
211.11041	0.6
223.13326	5.6
228.42563	0.6
442.19342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66339	1.8
56.69920	1.6
57.03323	5.4
59.01240	100.0
59.02480	2.9
61.98692	3.6
64.96899	2.0
71.01243	23.0
73.02806	27.1
74.96072	2.1
83.01272	10.0
85.02821	2.7
87.00758	4.6
89.02319	13.2
96.95913	3.6
99.04405	4.8
101.02303	38.6
105.03310	2.3
113.02306	10.7
116.97114	62.6
119.03426	6.7
123.08015	4.3
125.02366	1.9
126.97568	2.3
126.98568	2.0
128.03432	3.4
128.97200	2.0
129.72537	2.2
131.03421	3.3
137.09662	5.4
143.03407	4.9
149.02435	4.2
161.04460	5.7
165.09106	82.0
171.07906	2.5
174.82297	2.6
176.99232	4.7
178.81456	2.1
187.11227	5.8
191.11714	2.1
197.99083	2.2
205.12428	2.2
214.27452	2.2
216.11888	2.3
221.06342	2.2
223.13506	4.9
241.31622	2.5
256.19470	3.0
293.88632	2.4
314.43881	2.3
341.07587	12.0
359.05905	2.3
385.18683	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17031	0.5
55.88880	0.5
58.87466	0.6
59.00123	1.5
59.01241	100.0
59.02475	1.4
92.55029	0.7
121.50518	0.7
160.60408	0.8
202.04178	0.6
263.39111	0.8
293.21191	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01307	24.8
59.01255	58.1
62.80087	26.5
67.77386	25.3
80.76331	24.4
82.44528	29.9
85.82832	26.1
89.02303	26.0
99.74319	31.0
146.42175	29.9
342.18088	52.0
427.27438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86194	0.3
59.00036	0.3
59.01242	17.2
77.17672	0.3
78.95757	0.3
81.03333	0.4
83.01278	0.3
83.04853	0.4
88.03893	0.7
91.73353	0.4
93.03317	0.3
94.39043	0.3
95.04883	0.7
107.04881	0.8
109.02808	6.1
109.03487	0.5
109.06445	3.6
116.16414	0.3
119.04903	4.5
121.02824	7.5
122.03629	1.7
128.03392	1.1
135.04396	5.3
137.05960	32.1
138.06216	0.6
165.05405	0.5
180.98448	0.9
181.04977	100.0
182.05309	2.1
281.19861	0.4
325.09418	0.6
343.10312	0.6
385.11426	8.0
385.16129	0.6
429.19495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33147	0.8
57.44713	0.5
59.01245	9.5
62.44387	0.6
62.87521	0.5
71.01221	2.8
73.02800	5.5
83.33952	0.6
85.02800	1.6
87.00723	0.9
89.02305	1.6
95.04875	1.5
95.25873	0.7
101.02283	1.8
104.72487	0.6
109.02659	0.6
109.06416	1.0
113.02267	1.3
128.03397	1.8
130.08627	0.8
143.04886	0.8
163.11157	4.9
179.10674	0.8
181.12260	23.2
193.52808	0.6
207.10274	1.8
223.13326	2.4
225.11288	100.0
226.11581	1.5
249.11505	1.1
264.66211	0.7
267.12341	1.7
413.74731	0.8
428.23038	0.7
429.17508	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39630	0.4
59.00152	1.2
59.01244	100.0
59.02477	1.7
63.57302	0.6
68.56306	0.5
71.01236	8.4
73.02817	2.0
79.95863	0.5
83.01253	0.6
85.02808	0.9
87.00740	1.6
89.02298	13.8
89.02837	0.7
101.02322	4.7
106.70348	0.6
113.02321	4.7
119.03371	4.7
128.03423	1.3
131.03380	0.8
143.03394	0.8
149.04439	0.6
166.19167	0.6
177.41881	0.6
179.05585	2.2
320.86554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77032	0.3
54.20588	0.3
57.03314	2.3
58.99951	1.5
59.01243	100.0
59.02371	1.9
60.01583	0.7
67.01762	0.4
69.03328	0.6
71.01238	12.3
71.04881	2.6
73.02807	10.9
81.01435	0.3
81.03320	0.4
83.01237	3.5
85.02808	6.3
85.99934	0.9
87.00738	3.3
89.02294	3.4
97.02814	1.1
99.00748	1.4
99.04371	0.9
99.51256	0.4
101.02309	12.4
101.02958	0.7
101.05948	0.5
105.38628	0.4
109.06471	0.5
113.02313	5.8
119.03366	1.3
123.08018	1.5
125.09567	0.5
128.03423	1.3
131.03328	0.5
131.46494	0.4
136.05215	1.3
137.06023	0.7
137.09592	3.3
143.03415	0.8
149.05911	0.6
151.11209	4.7
153.09129	2.2
153.12764	0.9
155.10661	1.1
158.79605	0.6
159.02960	0.7
161.04431	3.8
163.11166	5.3
165.09114	1.4
171.07829	0.5
181.12245	4.8
189.12749	0.6
195.13805	4.8
197.15425	1.8
203.05592	0.4
207.10289	0.4
207.13847	2.9
207.55405	0.4
213.09515	0.7
223.13361	1.2
225.14929	37.0
226.15289	1.2
247.75679	1.1
255.58789	0.4
297.17096	1.2
307.17603	4.2
309.13525	0.5
333.37128	0.4
349.18848	4.2
369.19162	3.0
370.38846	0.4
387.20261	15.2
388.20782	0.8
429.21353	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35004	0.8
55.01764	0.8
57.03330	2.1
58.99935	1.6
59.01241	100.0
59.02437	1.5
60.01607	1.7
61.01677	1.1
62.85727	0.7
69.03307	1.5
71.01237	20.6
71.01579	1.4
73.02802	17.3
81.12103	0.8
83.01247	5.8
85.02802	6.6
87.00755	3.8
89.02302	19.1
89.02837	1.4
94.54353	0.8
95.01283	1.9
97.02822	1.2
99.00745	0.9
101.02302	27.4
101.02942	1.7
102.02692	1.4
105.03350	2.3
110.69479	0.9
113.02311	10.7
113.03001	1.0
119.03370	9.7
119.73074	0.9
123.08026	0.9
128.03445	1.9
131.03487	1.2
137.09590	1.8
143.03442	2.8
149.02365	1.5
149.04494	1.1
161.04465	6.3
165.09132	9.6
166.09441	5.9
167.03459	1.7
167.09781	2.6
179.05583	3.1
342.53882	0.9
350.73566	1.0
369.19070	1.7
387.20236	25.5
429.21082	1.9
441.58640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78564	0.2
59.01233	0.7
61.98681	0.2
63.01851	0.2
67.63403	0.3
74.02341	0.3
78.95765	0.4
79.95591	2.0
86.30769	0.3
89.02314	0.3
96.93006	0.6
96.95871	100.0
96.98319	1.5
116.04944	0.9
124.57179	0.3
128.03416	3.8
134.03633	0.2
137.25586	0.3
142.06509	0.8
150.46417	0.3
159.09125	0.4
167.04530	0.3
183.99211	0.5
187.35548	0.3
193.04858	0.4
203.08261	0.9
213.03268	0.3
226.00317	0.4
283.02438	0.7
314.11536	0.4
326.08484	0.3
332.12527	1.6
352.06137	1.8
370.07181	2.8
430.09262	2.0
439.49442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77023	0.2
59.00969	0.4
59.01238	5.2
60.99158	2.0
71.01237	3.4
85.02798	0.6
87.00732	0.5
88.96181	0.2
88.98656	17.2
89.02293	100.0
89.04455	1.4
90.02631	1.1
95.01194	0.3
101.02297	2.5
101.68698	0.3
104.95858	0.3
113.02306	2.1
119.03367	2.7
125.00876	0.3
125.31070	0.2
128.03412	2.2
131.03407	0.4
131.08113	0.9
143.03371	0.6
154.18909	0.2
161.04459	0.9
173.10379	0.3
179.05550	4.1
188.52971	0.2
194.04738	0.2
207.29817	0.3
221.06616	0.3
256.22113	0.2
284.13791	0.4
323.86273	0.2
341.10898	16.9
342.11298	1.0
352.02969	0.3
396.44174	0.3
431.13867	0.4
431.19037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53614	0.6
52.30953	0.6
59.00026	1.7
59.01243	100.0
61.43135	0.7
67.43018	0.6
71.01242	7.2
72.99152	0.9
73.02807	16.7
75.00757	0.9
83.01221	3.4
89.02297	2.2
91.72771	0.8
96.95852	3.5
99.52108	0.7
101.02304	12.1
113.02314	2.5
118.81531	0.7
122.00711	0.7
122.03604	0.9
128.03442	2.3
131.03430	0.9
131.08185	0.9
133.01262	1.2
134.11542	0.8
145.19392	0.9
147.52235	0.8
149.04407	0.8
152.04700	4.7
154.78654	0.8
157.13374	1.3
161.04453	3.0
165.09113	42.8
166.09503	0.8
167.07051	6.8
324.66571	0.8
364.92709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2204
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.49337	0.1
59.01240	0.3
59.17151	0.3
62.96263	0.2
67.50121	0.1
73.32373	0.1
75.46513	0.1
78.93947	0.8
78.95758	51.0
96.96815	6.4
135.43085	0.1
143.25591	0.1
150.97893	1.7
152.94630	1.2
152.99471	100.0
153.99843	0.7
171.00542	4.4
225.34236	0.1
249.68208	0.1
277.21768	0.7
292.72406	0.1
403.26071	0.1
431.22083	5.5
432.22250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08950	0.2
59.01242	100.0
59.02408	1.8
59.70664	0.1
60.01568	0.4
61.98704	0.2
62.91594	0.2
65.54161	0.2
68.51602	0.2
69.88859	0.2
71.01263	0.2
76.47733	0.2
85.06413	0.2
89.02313	0.2
91.73412	0.2
108.72483	0.2
112.07607	0.3
114.11713	0.2
128.03442	0.3
130.08612	1.0
157.13358	3.8
157.93155	0.2
183.02940	0.3
199.12430	0.5
320.79407	0.2
330.22021	0.4
357.26700	2.1
432.13660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46327	1.8
53.04689	0.6
58.02602	0.9
58.02840	10.9
59.01242	12.5
66.03367	1.6
70.02847	1.7
71.01248	4.2
72.00753	1.9
73.02791	2.2
74.02327	22.1
77.97052	0.6
81.04427	1.5
82.02818	3.5
84.04377	1.8
85.02794	1.6
85.03904	0.8
86.02325	9.3
86.05959	2.0
86.98951	0.9
87.05495	6.2
88.03891	1.2
89.02302	1.5
90.00072	1.5
97.03920	3.3
98.80659	0.9
99.05497	23.9
101.02293	3.2
101.07059	4.2
102.05466	3.8
102.06058	0.8
109.03931	3.4
109.07591	1.6
111.05494	1.6
112.03899	3.3
113.02311	1.1
113.03393	1.2
113.09583	2.0
120.01110	1.6
123.05516	1.7
124.03932	1.4
125.03434	1.7
127.05002	5.4
127.99551	0.9
128.03406	64.9
135.05531	6.6
137.07069	1.8
141.06544	5.3
143.04504	93.7
145.06078	3.6
146.04483	9.4
151.00191	0.9
153.06595	6.1
155.08099	0.9
160.00636	19.9
165.09280	0.8
166.09755	3.4
167.04538	6.0
167.08174	2.9
171.03946	1.0
171.07701	1.1
177.03279	7.9
179.04521	17.1
180.07648	0.8
180.63330	0.8
181.06097	2.4
184.10867	1.7
185.05589	3.4
185.11736	2.6
192.07765	1.7
197.05637	2.4
198.08681	1.4
201.21619	0.7
210.08786	17.0
213.03157	1.1
220.75850	0.7
228.09845	1.0
229.05035	2.1
231.04434	1.4
242.07849	2.1
254.07817	24.9
255.08060	1.0
272.08899	39.5
273.09592	0.8
288.06622	11.8
306.07660	100.0
307.07928	3.3
329.16058	1.8
347.17151	7.9
389.18152	14.1
421.63177	0.9
432.18027	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81885	0.8
57.03321	1.1
59.01241	9.0
59.19553	1.0
61.98691	1.9
62.91404	0.9
66.03347	1.0
71.01238	2.6
71.17858	1.0
73.02818	2.0
78.97422	1.1
82.02820	5.0
84.04377	0.8
88.50725	1.2
93.33624	0.9
99.05491	4.6
111.12583	0.9
124.83315	1.0
127.04994	4.7
128.03406	100.0
128.07037	1.8
136.11238	1.2
140.07083	1.1
152.88847	1.1
153.78157	1.0
158.02608	1.7
160.06017	1.4
165.12772	0.9
169.09723	2.7
175.05373	3.3
176.03770	3.1
178.08653	5.7
179.11816	1.6
180.10129	1.7
197.12926	1.1
226.09035	6.5
227.12144	3.4
241.11946	1.9
263.36978	1.1
271.11273	4.2
360.92532	1.1
432.18088	61.8
433.19095	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72327	0.5
56.48360	0.6
59.01241	18.2
61.98684	2.0
71.01237	2.2
73.01028	1.6
73.02802	1.3
75.00742	1.1
77.63950	0.6
78.95764	2.9
79.95597	2.5
85.02793	1.2
87.00729	0.7
89.02280	1.1
95.20444	0.6
96.92960	1.1
96.95866	100.0
96.96754	4.8
101.02295	2.5
103.74129	0.7
113.02280	0.7
114.93267	1.9
128.03397	4.3
133.53261	0.7
135.02873	2.3
135.04323	0.7
170.99750	0.7
171.07607	1.6
171.99045	0.7
173.09863	1.1
186.99155	0.9
198.99220	0.8
249.05402	1.1
249.13364	1.1
287.96307	0.8
288.77383	0.7
347.10226	5.1
347.17090	1.5
389.18130	1.2
433.20413	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29909	0.7
59.01242	36.2
60.01585	1.9
60.21896	0.8
61.98684	2.6
62.26765	0.9
71.01232	2.1
71.12955	0.8
77.13064	0.8
85.02796	1.3
86.83808	0.9
89.02280	1.5
96.95879	12.6
98.29637	0.9
101.02312	1.9
109.99978	5.0
113.02293	2.8
113.67014	1.1
124.01555	1.5
125.02322	5.4
128.03474	2.2
130.08627	1.2
135.46971	0.9
137.99457	8.5
139.00246	8.1
145.21182	1.1
152.01051	1.5
153.01823	100.0
154.02631	10.0
155.03488	1.3
157.10956	0.9
157.13387	1.2
163.03932	1.3
167.03404	6.8
168.04184	45.8
169.01047	1.1
169.04964	41.6
170.00966	1.3
178.42880	1.2
179.03389	1.4
183.02881	2.7
184.03148	1.6
185.03500	1.2
236.88857	0.9
282.87537	0.9
313.09338	1.1
373.11377	19.8
410.76096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.5
59.01242	83.5
66.37560	1.4
71.01234	27.7
73.02804	45.8
80.39424	1.7
83.01245	10.2
85.02812	9.2
87.00720	1.9
87.86179	1.4
87.99463	1.6
89.02306	11.2
91.73424	3.4
95.01192	2.2
97.02805	1.9
99.00742	2.0
101.02299	30.0
113.02330	11.4
119.03405	1.8
128.03435	4.3
128.70027	1.7
135.04398	2.6
161.04512	3.6
167.10663	34.6
219.47928	1.6
237.28796	2.0
303.18219	6.0
329.16129	5.0
347.17169	17.6
389.18192	100.0
390.18741	6.1
425.20889	2.1
433.12466	4.3
433.20944	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34707	1.8
57.03305	3.2
59.01244	79.4
61.88998	2.1
61.97797	1.7
65.00712	2.1
66.75641	2.0
70.91152	2.1
71.01242	27.1
71.01590	2.5
72.41329	1.8
73.02813	12.2
73.84968	2.3
74.02353	4.6
74.40382	2.1
79.35175	2.0
82.02833	2.3
83.01256	5.9
85.02847	7.2
87.00765	4.0
89.02328	10.0
91.04868	1.9
98.02386	2.4
99.05531	3.2
101.02306	18.6
113.02348	8.6
119.03406	4.1
128.03423	13.4
139.11266	3.6
143.04533	10.8
153.06512	2.4
160.00717	3.9
167.10736	2.5
171.11584	2.4
179.04475	2.8
185.11781	16.9
193.05960	3.7
210.08807	3.1
229.05055	11.1
254.07918	2.8
271.03601	2.4
272.09061	4.5
306.07748	7.6
307.08090	5.9
329.16043	13.6
347.17142	56.8
348.17487	2.6
373.18918	2.4
389.18219	100.0
390.18945	5.5
391.19656	5.4
433.20712	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2363
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01242	0.3
59.17151	0.4
62.96279	0.2
70.58950	0.1
78.93752	0.6
78.95761	49.5
78.97502	0.8
86.62281	0.1
86.84498	0.1
94.72773	0.1
96.96819	6.3
103.46859	0.1
103.47445	0.2
107.26971	0.1
115.47451	0.2
135.83231	0.2
146.17291	0.1
150.97897	1.8
152.94032	0.8
152.99477	100.0
153.04187	1.1
153.99881	0.6
171.00554	4.0
279.23276	1.2
433.23636	6.6
434.24011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.9
61.97541	1.2
61.98693	100.0
62.00022	1.6
67.46187	0.3
67.84801	0.3
70.10093	0.3
71.01241	1.9
74.22095	0.3
76.63358	0.3
79.08464	0.3
81.03321	0.4
83.04874	0.5
85.02810	0.9
93.03332	0.5
94.11252	0.3
99.04354	1.7
101.02311	1.2
107.04881	0.5
108.02038	3.5
109.02811	4.7
110.02242	0.3
111.00739	0.3
113.02299	0.6
121.02842	1.2
122.03600	11.0
123.04388	66.8
123.08086	0.9
124.04718	1.4
125.02262	0.5
125.98590	0.3
128.03441	0.6
134.06021	0.7
136.07585	0.4
137.02309	2.9
154.50929	0.3
161.04443	0.7
164.38387	0.3
165.05501	1.5
176.06865	0.8
203.05582	1.9
207.06505	0.6
220.05733	0.3
230.04306	2.3
267.08676	0.6
280.00235	0.4
282.81152	0.3
318.14597	0.5
319.46979	0.3
327.10867	2.8
416.14359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05567	1.0
56.05799	0.5
56.58720	0.4
59.01007	0.5
59.01244	5.5
65.82618	0.4
66.03360	0.5
71.01234	14.8
72.34168	0.5
73.02803	0.5
86.02303	0.6
88.03892	20.2
92.04877	0.4
103.04170	0.7
106.06483	6.4
108.08038	1.8
114.01833	7.5
115.00233	21.8
118.06470	4.5
120.04371	1.5
125.36632	0.5
128.03392	1.0
131.06009	0.9
132.02901	49.7
132.07123	0.6
134.05986	48.2
135.06259	0.6
136.03897	1.6
136.07547	14.0
138.05489	1.2
140.07048	1.7
148.07509	0.7
149.07094	1.9
151.08656	2.3
158.00848	1.4
159.05516	4.8
159.09175	1.0
160.07565	1.0
161.07085	2.5
172.06323	0.6
177.06604	75.0
178.05022	6.8
178.06892	1.8
179.08171	18.6
179.09743	0.9
180.06497	1.1
187.08670	11.6
189.10269	4.9
203.08194	1.3
205.09769	3.5
231.07704	17.1
233.09241	3.1
233.22040	0.5
249.08781	5.1
257.13083	0.6
275.06769	13.2
276.06985	0.6
277.08310	6.0
285.46915	0.5
286.53934	0.6
293.07809	100.0
294.08075	3.2
295.09338	11.4
310.15594	0.6
400.12628	0.6
416.14456	1.5
434.15408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44532	0.7
59.01242	3.5
61.98684	0.9
62.91402	0.5
65.99706	1.7
71.01245	0.7
72.67686	0.4
82.00919	0.6
82.02836	43.4
82.04925	0.5
83.01255	0.5
84.04396	0.8
92.04902	0.6
94.02841	2.2
96.04402	5.6
97.02861	0.6
100.07533	0.6
101.02290	0.6
102.05466	33.0
102.65082	0.5
106.02841	0.5
107.03682	0.5
120.04427	1.3
122.02315	0.8
122.03605	4.6
122.05975	6.8
123.04491	0.5
124.03914	0.8
127.26198	0.5
127.99736	0.9
128.03403	51.8
136.03911	5.1
136.07562	1.0
138.05484	100.0
139.05811	1.3
146.04472	35.9
148.03922	5.0
148.07600	0.6
149.04694	0.8
150.05426	4.0
156.06590	0.5
160.07570	0.8
161.04745	2.0
161.07074	0.6
162.05496	2.2
164.03387	1.1
165.06589	9.7
166.05016	0.7
174.05507	1.2
174.09132	0.6
176.07059	2.6
178.08673	0.8
182.04471	0.6
186.05476	0.7
188.07059	2.4
190.08678	4.4
191.08214	2.0
202.08646	5.2
203.08328	1.3
204.06581	11.3
215.06198	0.6
215.08131	1.0
216.10216	1.1
217.06122	2.7
218.06905	12.2
218.11856	1.5
227.08243	1.3
228.06886	0.7
229.05882	1.0
229.07692	1.0
230.06891	0.7
231.07774	1.2
233.09268	23.0
242.08189	0.7
244.09770	21.4
245.09297	19.9
245.11861	0.7
246.09621	1.0
251.10481	1.0
252.11116	0.6
261.12454	8.3
270.07697	2.6
271.08514	5.3
272.08456	0.6
287.10376	79.7
288.10645	2.8
305.11432	60.0
306.11865	2.3
328.16904	0.7
372.15820	0.9
390.16666	4.5
391.16245	1.5
416.14627	12.5
434.15695	56.1
435.16113	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44546	1.0
57.59841	0.7
59.01248	5.1
61.98684	3.7
64.74014	0.7
65.99712	1.8
71.01240	1.6
72.74886	0.7
73.02791	1.5
73.97482	0.9
76.75910	0.7
82.02838	39.1
86.64131	0.8
88.56985	0.8
94.02856	1.9
96.04422	6.5
101.02299	1.5
102.05466	34.8
113.05934	2.5
119.04894	1.1
120.04410	1.5
122.03574	4.1
122.05994	8.2
128.02437	1.9
128.03407	51.0
136.03902	5.9
138.05489	100.0
139.05893	1.2
146.04478	31.9
148.03952	5.7
150.05487	3.0
151.53963	0.8
160.07594	1.2
161.04631	1.7
162.05490	1.8
165.06598	9.9
176.07124	1.9
178.08607	1.0
182.04489	1.4
188.07137	1.1
190.05058	1.0
190.08698	5.5
191.08241	2.1
202.08707	6.0
203.08304	1.6
204.06549	9.1
217.06091	2.9
218.06924	10.3
218.11821	2.0
227.07060	1.2
229.07597	1.7
231.07739	1.0
233.09265	19.1
244.09802	16.5
245.09288	21.0
251.10439	1.2
261.12454	8.1
269.09525	1.1
270.07697	2.8
271.08646	6.5
283.58887	1.1
287.10394	80.1
288.10678	2.2
305.11438	61.5
306.11838	3.0
349.14993	1.4
390.16772	4.0
391.16229	3.1
416.14633	14.2
434.15732	64.6
435.16022	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00108	0.9
59.01242	62.2
59.02504	1.0
60.99153	0.6
70.02843	0.6
71.01250	0.4
74.02321	3.3
83.47680	0.4
84.04417	0.6
96.63163	0.4
98.02355	0.5
98.05952	0.9
99.00735	0.8
107.98320	0.4
108.82450	0.4
112.03915	0.6
116.03403	4.5
126.05495	2.7
128.73872	0.5
140.03423	3.8
149.63292	0.4
209.96822	0.4
215.16481	100.0
216.16827	2.3
218.06580	0.6
236.07758	0.5
236.18056	0.6
258.74493	0.4
258.84647	0.4
260.12393	1.5
434.23959	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15207	0.3
58.02830	0.4
58.17577	0.4
59.00027	1.0
59.01241	63.0
60.04986	0.3
61.98693	0.4
70.02837	2.4
71.01230	0.6
71.13847	0.4
72.04411	0.8
74.02328	11.1
78.03340	0.4
84.04397	1.6
86.02328	0.4
96.04389	0.5
97.02828	0.6
98.02343	1.3
98.05995	1.0
99.00745	4.9
103.11620	0.4
112.03902	1.7
114.05518	0.5
116.03402	11.9
125.48333	0.4
126.05494	4.2
140.03413	11.0
158.04462	0.5
215.08069	0.9
215.16478	100.0
216.16748	2.6
218.06601	1.1
236.07724	1.4
260.12396	1.3
305.28900	0.4
404.80222	0.4
434.24203	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76096	0.8
58.02834	1.0
59.00978	0.9
59.01245	14.2
59.48102	1.1
70.02827	1.6
71.01231	1.3
72.04404	3.2
73.02814	2.6
74.00760	1.2
74.02329	74.8
74.04098	1.0
79.07355	0.8
84.04390	1.4
84.04847	1.2
84.92036	0.9
86.62384	1.0
86.93320	1.0
88.80408	1.1
90.12955	0.9
91.72865	2.2
91.73363	1.4
96.04398	1.3
98.02326	5.3
99.00735	5.2
112.03905	1.6
116.03400	100.0
126.05523	2.1
140.03429	12.5
146.47052	1.1
146.82545	1.0
174.07574	1.2
215.16484	8.7
218.06731	4.8
341.12265	1.1
376.92508	1.2
434.23825	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18504	0.2
56.66822	0.2
57.23413	0.3
59.01236	0.7
65.56628	0.2
68.88942	0.2
68.99664	0.6
71.01239	0.6
78.95768	0.3
79.95592	2.4
81.31531	0.3
83.01237	0.3
85.02814	1.5
87.00729	0.3
89.02284	0.4
95.55575	0.2
96.93076	0.9
96.95872	100.0
96.98315	1.6
97.95793	0.4
99.00739	1.3
101.02313	0.3
109.89175	0.3
111.00729	0.6
112.57440	0.3
112.98672	0.3
113.02317	1.7
113.99459	4.0
115.00260	2.2
127.00198	0.9
128.03371	0.3
129.01791	0.8
139.22177	0.2
157.01323	1.6
169.01337	0.7
174.01595	4.4
175.02319	0.6
277.05673	5.4
337.07797	45.5
338.08133	1.9
407.03683	0.3
446.31207	0.3
450.96442	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18470	1.4
57.03292	2.5
59.01244	100.0
59.02480	2.1
61.98692	3.4
65.76774	1.8
70.56744	1.5
71.01239	17.8
72.49702	1.4
73.02802	5.0
75.72830	1.7
77.73846	1.6
82.23154	1.7
83.01246	4.2
85.02801	6.3
87.00735	4.1
89.02293	3.0
89.47822	1.7
95.18466	1.7
97.02811	2.1
101.02292	9.6
113.02312	2.8
125.02347	2.0
141.12727	6.6
143.95969	1.8
165.17816	1.7
171.50523	1.9
187.13313	46.3
199.13393	3.8
208.08778	1.9
253.40121	1.8
298.94794	2.1
331.17593	21.7
349.18686	75.7
350.19183	2.5
391.19791	93.4
392.19824	4.3
435.21942	4.9
442.44351	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00021	1.6
59.01244	100.0
59.09407	0.5
61.98700	1.0
63.58183	0.8
71.01244	2.2
73.02811	5.3
75.00724	4.5
83.01238	0.9
85.02808	0.6
86.02365	0.8
101.02309	3.1
113.02343	0.9
120.01074	0.9
128.03410	7.1
154.94531	0.6
169.08568	0.7
170.07106	0.9
171.07687	3.4
196.67110	0.7
209.21469	0.7
249.05553	5.3
279.86215	0.6
308.43509	0.8
353.44876	0.8
375.16611	9.0
391.16211	0.9
425.70895	0.8
432.91190	0.8
436.11121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2237
Annotation	HC Toxin
Peak:m/z	Relative Intensity
51.54403	1.1
51.65845	1.0
51.82932	1.1
58.65149	1.3
59.01242	97.1
59.02402	1.9
71.01231	5.9
73.02807	5.3
83.01254	2.9
85.02802	3.6
86.53581	1.3
91.72756	2.4
99.00711	1.9
101.02309	11.2
111.64992	1.4
113.02329	2.6
118.12677	1.4
124.61325	1.5
128.03436	4.3
132.38594	1.4
135.04390	2.9
147.84857	1.7
161.04504	2.5
169.68159	1.6
201.81174	1.8
230.24271	1.5
319.59027	1.8
333.19199	3.0
375.20209	6.2
393.21423	4.9
417.21301	4.8
435.03262	2.9
435.22440	100.0
436.22983	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2235
Annotation	HC Toxin
Peak:m/z	Relative Intensity
55.01748	0.5
56.87374	0.4
57.03318	0.4
58.99970	1.6
59.01242	100.0
59.02336	1.7
64.96050	0.3
66.17086	0.3
71.01241	5.8
72.99163	0.4
73.02808	3.4
83.01227	2.0
83.66006	0.4
85.02806	4.3
89.02294	1.0
95.01245	0.9
99.00735	1.2
101.02303	9.3
109.72440	0.4
112.01508	0.5
113.02302	3.1
118.23524	0.4
119.10951	0.4
128.03395	0.5
143.03433	0.7
147.84943	1.9
161.04463	1.6
168.30202	0.4
187.13316	1.5
331.17828	0.6
333.19034	2.9
349.18881	2.1
357.19055	0.7
375.20209	2.8
391.19757	4.3
393.21265	4.2
397.40524	0.4
399.20169	2.5
417.21390	5.0
423.64340	0.4
435.22375	72.8
436.22818	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72782	1.3
56.44566	1.5
57.03334	1.9
58.02872	1.3
59.01240	31.0
59.01507	2.5
61.98708	2.3
66.03374	1.3
69.04540	1.4
70.02856	3.2
71.01266	3.4
71.53131	1.2
72.04427	6.4
73.01059	2.1
73.02801	7.8
74.02329	98.4
83.01269	4.2
84.04428	3.7
86.02339	1.4
95.76451	1.3
96.04450	2.0
98.02383	5.6
98.05992	1.6
99.00734	7.3
101.02336	3.8
112.03920	3.2
116.03401	100.0
126.05542	5.3
128.03452	4.7
137.09622	4.3
140.03415	17.5
155.10655	20.5
157.08600	74.8
158.04446	1.8
169.08655	3.3
171.07568	2.3
178.14462	1.6
179.10811	3.7
194.91855	1.7
199.09756	8.3
208.43881	1.7
217.10768	88.3
218.06624	9.9
218.11249	2.7
223.09753	20.3
259.11905	12.7
267.60251	1.7
319.14014	7.1
392.16638	6.2
436.18317	48.6
437.19162	2.8
442.41339	1.7
444.41797	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94634	0.7
58.99955	1.1
59.01243	77.9
59.02382	1.5
59.22356	0.4
60.01605	0.6
62.82800	0.5
67.62432	0.6
69.03319	1.3
71.01240	25.0
72.99159	1.1
73.01048	0.7
73.02805	57.3
73.04382	0.8
75.00728	0.6
78.94245	0.6
83.01241	14.2
85.00553	1.2
85.02805	100.0
85.04779	1.7
86.03106	0.9
87.00735	0.8
89.02293	8.0
90.98445	0.7
95.01250	0.7
96.95901	1.0
97.02806	0.7
99.00751	0.6
99.92392	0.6
101.02303	46.4
102.02649	0.5
103.03870	8.9
110.12701	0.6
113.01556	0.8
113.02308	11.2
115.21655	0.5
119.02719	0.5
119.03379	5.1
122.06013	0.6
123.16283	0.5
125.02319	1.5
125.79990	0.5
128.03445	0.9
131.03360	4.9
131.06967	1.1
132.97067	0.5
139.03856	0.5
143.03369	4.2
149.04451	8.7
155.03365	1.4
157.08508	2.1
161.04453	14.6
171.06525	4.1
203.05472	1.9
217.10674	1.8
218.11003	0.9
221.04840	0.6
221.06599	7.1
251.57803	0.5
269.17575	0.6
307.10358	24.5
307.46521	0.5
308.10507	0.6
351.16232	0.9
367.98486	0.6
393.17902	4.8
429.39276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93233	0.3
58.00452	0.7
58.75849	0.3
59.00175	1.1
59.01243	71.7
59.02475	1.3
65.26437	0.3
69.03316	1.3
71.01241	23.7
71.02846	0.5
72.99169	0.6
73.02805	57.6
73.04472	0.7
74.03109	0.5
75.00711	0.6
78.95777	0.5
79.11137	0.3
83.01241	12.9
85.02806	100.0
85.04943	1.4
86.03165	1.0
86.87799	0.4
87.00742	1.1
89.02287	7.0
91.72650	0.4
96.95892	0.4
97.02792	0.9
99.00737	0.9
101.02302	45.2
101.05024	0.6
103.03184	0.6
103.03865	8.1
113.01544	0.7
113.02304	10.3
119.03375	4.0
125.02322	1.7
131.03377	4.0
132.97112	0.4
133.02809	0.7
134.03607	1.3
143.03389	3.9
147.02924	0.5
149.04459	7.3
149.05779	0.5
155.03386	1.7
161.04442	11.9
161.05786	0.6
170.39455	0.3
171.06537	5.4
178.02580	0.4
193.05019	1.7
200.00769	2.1
203.05591	2.3
215.03247	3.7
221.04848	0.5
221.06657	5.2
257.18570	1.1
307.10367	21.7
333.15237	0.4
378.72687	0.5
393.13654	1.2
393.17935	0.9
437.20209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00445	1.2
59.00088	1.5
59.01242	82.2
59.02508	1.2
61.98689	2.5
66.05754	0.9
67.62176	0.9
70.99743	1.1
71.01239	46.8
72.99155	1.7
73.02814	3.0
75.00715	0.9
83.01250	2.1
85.00826	1.4
85.02806	100.0
87.00729	4.0
89.00182	1.2
89.02299	85.0
90.02608	1.2
91.73384	1.9
101.02305	27.4
103.03848	7.1
113.02318	21.3
119.03371	33.8
128.03423	1.5
131.00279	1.0
131.03372	3.9
131.80447	1.0
134.46880	1.0
137.11223	1.1
143.03377	6.7
149.04474	3.0
151.69356	1.1
161.04428	8.8
165.68466	1.0
171.06537	14.3
179.05525	32.8
262.11566	1.2
265.09296	52.9
266.09573	2.5
279.10483	1.1
351.12961	9.0
437.16635	4.5
437.23871	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54106	0.2
54.93075	0.2
56.10542	0.2
57.31068	0.2
59.00175	1.3
59.01243	100.0
59.02478	1.8
60.01582	0.5
67.18495	0.2
78.95766	0.6
81.41770	0.2
97.95276	0.3
152.99513	0.8
154.99954	0.4
206.99158	0.3
233.24330	0.2
252.98389	0.3
255.23546	0.3
339.20145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66411	0.6
55.97499	0.6
59.01229	2.4
60.92750	0.6
61.98668	1.3
78.95765	1.7
79.95584	2.1
80.96313	0.8
85.02806	0.6
86.02298	0.9
87.50544	0.8
93.03315	15.1
94.48390	0.7
96.95868	100.0
96.96864	4.8
96.98505	1.3
97.93021	0.7
100.68108	0.6
114.93272	2.9
116.92732	2.7
116.97135	0.9
119.04891	1.8
123.11241	0.7
128.03433	2.4
163.03894	1.0
246.72221	0.7
259.01425	0.9
297.10110	1.0
353.05658	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99475	0.2
65.84283	0.1
78.95770	1.3
79.95588	2.6
92.19740	0.1
96.93398	1.4
96.95868	100.0
96.96867	2.6
96.98659	0.9
97.95789	0.1
101.69287	0.2
135.02809	0.3
135.04390	2.6
179.03412	3.9
183.99229	0.2
191.00316	0.2
204.83594	0.2
204.95856	0.2
233.01247	0.2
234.99173	0.3
277.00290	0.9
341.08643	0.5
370.78601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87604	0.1
52.61046	0.2
53.08796	0.2
53.79572	0.2
54.23170	0.2
54.30440	0.2
56.53575	0.2
58.59776	0.2
66.26795	0.2
78.93903	0.5
78.95759	33.5
79.95585	2.0
96.93328	1.4
96.95873	100.0
96.96819	75.9
96.98108	1.3
96.99012	0.9
96.99664	0.4
134.57411	0.2
167.62630	0.2
170.27431	0.2
176.65825	0.2
177.72345	0.2
439.08572	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28942	1.6
51.67746	1.5
56.81924	1.3
57.03314	12.0
59.00095	1.5
59.01242	100.0
59.02529	1.6
61.98679	2.4
69.03336	1.8
69.35470	1.6
71.01235	35.2
72.75587	1.4
73.02802	82.2
76.74447	1.5
77.25355	1.5
83.01241	18.4
85.02806	5.7
87.00711	2.4
89.02299	8.5
96.95879	10.4
97.02788	2.2
99.00759	2.0
99.04362	2.4
101.02304	55.5
107.10114	2.0
107.62772	1.7
113.02332	12.0
115.68557	2.0
119.03387	2.4
123.55309	1.8
125.02339	2.1
131.03366	4.9
133.10115	2.4
137.09607	8.7
143.03371	4.0
153.70728	1.8
161.04488	6.5
168.81003	1.8
172.49791	2.0
173.13252	45.7
175.11195	11.9
191.14319	29.0
193.06888	1.8
217.12299	26.1
234.12611	2.0
235.13362	99.1
236.13673	2.3
439.19778	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89900	0.8
59.00109	1.9
59.01244	100.0
59.02481	1.5
60.45490	0.8
70.04413	0.8
70.98978	1.0
71.01242	6.7
73.02788	2.0
75.97627	0.8
85.02780	1.9
89.02302	4.0
96.95881	6.9
101.02293	3.9
113.02333	3.4
118.84208	1.1
119.03354	2.0
217.15964	1.0
234.08472	1.0
284.44336	1.1
287.54587	1.2
309.69788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67688	2.3
55.76975	2.3
59.01235	8.2
71.01242	3.1
71.30584	2.3
73.02802	2.9
75.67496	2.8
81.80794	3.4
85.02808	3.5
85.42213	2.8
90.20180	2.8
95.10841	2.6
101.02309	17.6
120.00624	2.8
123.27586	3.0
160.84140	20.3
161.04457	18.0
161.06598	3.2
161.84169	5.0
162.83826	31.6
277.21741	100.0
278.22247	6.4
341.37662	3.3
404.97305	3.6
437.17346	4.2
439.06314	7.5
439.15445	6.0
440.05508	15.3
451.06107	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64391	0.3
53.77249	0.3
59.01232	0.5
59.59163	0.3
86.02364	0.8
96.95858	0.6
102.86896	0.3
106.04118	0.5
121.02837	1.3
122.67589	0.3
127.43124	0.4
128.03418	4.0
132.26891	0.4
133.02829	2.4
134.03612	59.6
135.03941	0.7
137.02307	6.2
139.03940	2.0
149.05966	16.8
150.03082	0.7
171.07655	1.3
178.02631	33.8
193.04990	100.0
193.12231	0.9
194.05324	2.0
225.22171	0.5
231.07784	0.5
232.08478	0.6
328.93475	0.4
374.76096	0.5
397.11313	1.0
398.17245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15755	0.7
52.27793	0.7
59.01244	1.4
66.03296	0.8
71.28896	1.1
73.02802	1.1
76.49149	0.8
76.66425	0.8
78.75692	0.8
91.72623	0.9
108.23157	0.9
121.02796	2.3
128.03351	1.1
133.02853	2.7
134.03610	50.5
137.02330	7.6
139.03906	2.5
149.05963	14.8
150.03006	1.2
171.79239	1.1
178.02632	37.3
178.08784	1.0
179.03073	1.3
193.04996	100.0
194.05342	1.7
235.06200	3.7
308.22174	1.0
337.46112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2133
Annotation	Jatamanvaltrate H
Peak:m/z	Relative Intensity
53.49129	0.7
55.01739	0.7
58.99955	1.2
59.01241	100.0
59.02394	1.9
60.01577	1.1
69.03311	1.7
71.01240	34.7
72.99177	1.1
73.02803	87.9
73.04395	1.2
83.01239	20.3
85.02796	5.2
87.00716	1.3
89.02294	11.1
95.01237	1.1
95.47728	0.7
97.02786	0.9
99.00774	1.1
101.02301	65.9
113.02303	16.4
113.45207	1.0
116.97136	4.9
119.03400	6.1
125.02290	1.3
131.03403	4.7
137.81206	0.9
143.03362	6.0
146.68269	1.2
149.04449	6.6
155.03383	2.7
161.04454	16.1
189.12788	3.4
198.23178	1.2
203.05551	1.9
207.55702	1.4
217.00276	1.0
219.13861	3.4
221.06578	2.6
237.14761	1.0
355.09357	2.2
381.15283	1.0
381.19354	9.6
399.20203	5.4
441.21332	70.6
442.21524	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.0
59.71006	0.4
61.33372	0.4
64.27869	0.4
71.01235	0.7
75.00746	0.5
75.04386	0.4
87.89021	0.5
88.35191	0.5
89.57506	0.4
90.72748	0.6
119.04891	88.0
119.08428	0.8
120.05239	1.6
135.02859	1.7
142.13634	0.6
144.64261	0.5
163.03903	100.0
164.04192	2.3
192.39360	0.5
204.19107	0.5
236.80849	0.7
281.06805	1.0
315.09796	0.7
325.09268	6.2
341.10590	0.6
373.02493	0.5
376.07941	0.5
385.52399	0.6
443.11969	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10168	0.2
55.59346	0.2
59.01242	5.1
59.50731	0.2
71.01234	3.5
71.01587	0.3
71.21781	0.2
73.02830	0.2
75.00733	2.2
76.83427	0.2
80.25950	0.2
85.02808	0.8
87.00751	0.4
89.02299	3.3
93.03299	0.7
99.00736	0.5
101.02308	2.1
101.47961	0.3
107.35578	0.2
113.02276	1.2
116.63686	0.2
117.01798	0.8
117.03340	0.3
119.01562	1.3
119.04891	86.5
119.08717	0.6
120.05232	2.1
122.14876	0.2
132.70866	0.2
135.02817	0.4
137.02283	0.3
145.02792	1.1
162.98579	1.2
163.03905	100.0
164.04236	3.0
202.41624	0.3
205.04927	0.4
207.15074	0.2
219.06564	0.3
236.80913	0.3
278.59964	0.3
297.08279	16.1
298.08530	0.3
325.09268	3.2
326.09875	0.3
374.88019	0.3
378.24628	0.3
443.11951	3.6
462.97675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46355	0.2
53.15911	0.3
59.01242	1.9
61.98689	0.3
71.01235	0.8
73.02807	0.5
74.02290	0.4
75.00727	0.6
84.72768	0.4
89.02294	1.0
90.48679	0.3
90.72726	0.5
91.84862	0.4
93.03323	0.3
93.60195	0.3
96.95891	0.8
101.02309	0.6
116.97141	0.3
118.67824	0.3
119.01662	1.1
119.04893	96.7
119.08591	0.9
120.05215	2.1
128.03401	0.7
135.02878	2.1
135.04453	0.3
149.82074	0.3
162.98740	1.3
163.03908	100.0
163.09850	1.0
164.04251	2.5
175.88437	0.4
202.52699	0.4
236.80794	0.5
281.06662	1.0
302.67462	0.4
306.88867	0.4
325.09283	7.7
341.10910	0.9
383.12003	0.4
443.11917	9.3
444.12527	0.7
447.44519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35658	0.6
74.98936	1.0
80.58035	0.6
97.74167	0.8
97.74675	0.8
106.83375	0.6
138.86621	0.6
150.54726	0.7
152.49611	0.6
159.08388	5.1
160.84123	1.0
161.06284	2.0
197.74274	0.5
217.07158	1.1
275.06006	0.9
277.07617	2.2
296.65729	0.6
316.09967	0.6
343.12369	1.1
345.13889	1.4
357.13666	2.2
359.15372	100.0
360.15500	6.2
377.16345	1.6
425.20172	1.6
427.21628	48.7
428.21762	5.0
443.24597	7.6
443.29956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35187	0.6
59.00975	0.8
59.01242	3.8
59.01482	0.6
65.29002	0.7
66.05101	0.7
69.53741	0.8
71.01231	2.0
72.99149	1.4
73.02795	1.0
75.00728	1.0
80.23796	0.7
89.02319	0.8
95.01227	3.9
103.03902	1.0
106.05273	0.9
109.02776	0.9
119.04856	1.4
123.00742	30.1
123.04390	2.8
125.02268	1.5
128.03383	3.9
130.08580	1.0
135.02704	0.7
135.04491	0.9
137.02330	4.4
137.99443	3.2
138.03107	30.8
153.05470	12.0
163.03888	1.4
165.01743	1.2
166.99762	20.6
180.00525	1.1
181.01405	1.5
182.02124	56.0
183.02417	1.1
195.02960	1.0
196.03748	1.7
196.97885	1.5
197.04480	100.0
198.04857	2.8
211.44011	1.1
239.05588	4.3
298.08783	1.7
299.08646	2.1
343.53671	1.0
401.10919	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46733	1.9
52.01683	1.8
55.01759	2.1
57.03319	2.5
59.01242	100.0
59.02466	1.6
71.01235	28.8
73.02791	13.9
76.44502	1.8
78.95786	3.0
83.01251	6.6
85.02801	14.2
87.00748	3.1
89.02307	10.0
91.72690	3.4
99.00726	2.0
101.02307	19.6
113.02304	12.7
119.03394	4.2
128.03423	7.6
154.95465	2.5
159.02847	2.1
161.04469	10.0
202.28757	2.4
216.08336	2.2
315.18228	18.1
359.17172	3.7
394.83896	2.4
401.18204	54.6
402.18390	3.8
445.21109	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35487	2.2
50.84380	2.1
57.03312	2.7
59.01242	100.0
61.25636	2.0
66.01437	2.3
67.11298	2.2
71.01234	32.8
73.02811	16.2
75.00729	4.6
78.95801	2.4
80.50909	2.9
83.01254	5.3
85.02810	11.0
87.00719	2.7
89.02293	17.3
95.01281	3.0
95.12155	2.3
99.00695	3.0
101.02287	26.6
103.53712	2.4
109.70662	2.1
113.02306	9.8
119.03357	6.7
119.04899	8.6
128.03426	6.6
133.03874	2.8
135.02855	11.5
135.11678	9.0
147.11682	16.7
150.35410	2.6
154.60040	2.9
161.04376	4.2
179.10680	7.8
181.12299	8.5
187.03903	3.0
189.98976	6.7
191.10667	19.7
197.11832	16.5
209.11766	45.5
241.14464	4.5
253.09322	23.2
309.03983	13.3
341.16129	16.3
359.17126	41.2
401.18179	97.4
402.18497	4.5
403.19595	6.6
445.20694	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95776	0.2
59.00077	2.0
59.01242	100.0
59.02561	1.2
59.82543	0.3
60.01569	0.4
63.15323	0.2
68.33730	0.2
78.95759	4.5
78.96191	0.3
80.59972	0.2
104.89164	0.3
126.00526	0.3
138.91405	0.3
148.99983	8.7
149.01108	0.5
168.16580	0.8
178.24931	0.3
202.26309	0.3
205.15929	7.8
234.76201	0.3
349.87415	0.4
355.16833	30.4
355.93246	0.3
356.17297	1.0
385.17892	15.8
421.00989	0.4
445.20313	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02164	0.7
51.03851	0.5
54.17780	0.5
57.74344	0.6
58.99950	1.3
59.01241	100.0
59.02402	2.0
59.12113	0.5
59.42154	0.6
63.57714	0.9
63.94208	0.5
71.01237	12.1
71.01596	1.2
72.11169	0.6
72.87679	0.5
73.02802	1.6
80.29783	0.6
85.02821	2.9
89.02295	14.5
96.95857	7.0
101.02294	7.1
113.02276	5.1
119.03370	7.7
128.03441	1.5
129.26897	0.7
131.03386	0.8
161.04495	1.8
163.11179	1.2
178.96333	0.8
179.05536	1.5
205.12273	6.3
265.49304	0.7
269.04544	1.0
412.05243	0.9
445.21371	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09508	0.4
57.03304	0.5
57.57709	0.3
58.00462	0.3
59.00162	1.5
59.01243	100.0
59.02499	1.7
60.01572	0.5
63.14663	0.4
66.19050	0.3
71.01241	10.8
72.99175	0.5
73.02809	0.6
83.01269	0.7
85.02809	2.1
87.00761	1.0
89.02295	18.0
89.04652	0.5
95.01239	0.5
101.02302	7.5
104.92595	0.3
107.04902	0.7
113.02298	5.7
117.70908	0.3
119.03368	7.1
125.02325	0.4
128.03395	2.2
131.03423	0.8
135.04456	0.5
143.03455	1.2
149.04494	0.8
149.05978	0.4
152.04701	0.4
161.04424	1.9
163.00298	0.5
163.11263	1.7
171.07655	0.7
178.02686	0.7
179.05531	2.0
181.08299	0.4
192.93484	0.4
196.03723	0.7
205.12296	6.6
205.14087	0.5
214.22713	0.4
223.13306	0.4
249.05507	0.6
255.03110	1.3
299.05658	0.7
303.14508	0.8
325.12732	0.7
401.11063	0.6
417.08020	0.6
445.07834	1.0
445.21515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76100	0.5
59.00017	1.6
59.01242	100.0
60.01581	0.7
63.57071	0.6
66.36375	0.5
71.01238	14.7
71.86939	0.5
72.99174	1.0
73.02814	1.1
83.01248	0.8
83.04895	3.2
85.02821	2.5
87.00739	1.4
89.02296	30.5
91.73343	0.8
95.01252	0.7
96.95889	1.1
100.41412	0.7
101.02303	11.0
108.84994	0.7
113.02294	5.3
118.84216	0.7
119.03368	11.6
125.02341	0.8
128.03458	1.3
131.03401	0.9
137.09653	0.9
143.03424	2.8
149.04491	1.4
161.04460	4.6
179.05524	18.8
179.07004	1.3
205.22482	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88838	0.2
59.00975	0.3
59.01245	3.7
63.66384	0.2
71.01243	2.8
72.00763	13.0
72.99202	0.2
74.00574	0.3
74.02329	17.0
83.77757	0.2
87.00714	0.3
89.02299	4.8
92.06001	0.2
95.31709	0.2
96.95853	0.3
101.02310	2.2
104.00413	1.2
104.03394	100.0
104.05977	1.2
105.01791	0.8
105.03724	1.0
113.02309	1.5
119.03381	1.7
131.70158	0.2
143.03403	0.4
161.04454	0.9
179.05533	2.4
185.32518	0.2
340.49280	0.3
341.10901	12.7
342.11258	0.4
432.95621	0.2
433.83832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16560	1.3
53.38638	1.2
55.01752	13.8
58.02840	49.8
59.01242	76.6
59.65075	1.6
60.13921	1.3
61.98701	6.9
71.01247	4.3
73.02802	28.0
73.25478	1.5
83.01240	74.2
83.25363	1.4
85.02805	2.0
98.02360	1.6
99.04402	1.7
100.03916	4.0
101.02297	13.5
103.79231	1.4
113.02316	7.7
119.33760	1.6
120.85002	1.4
135.28867	1.5
140.03419	15.0
142.04979	100.0
143.05424	1.5
174.69991	1.8
202.07333	2.3
213.35934	1.8
222.85860	1.7
243.19640	76.3
285.20914	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.6
59.89259	0.2
61.98678	0.2
62.96277	1.2
65.12447	0.2
67.10668	0.1
78.93806	0.6
78.95761	37.8
78.97479	0.4
82.54350	0.2
87.98302	0.1
93.73884	0.2
96.96825	3.0
148.99985	20.2
151.01460	0.2
152.99475	0.4
158.92442	1.9
179.01065	2.5
187.20930	0.2
201.02393	0.2
205.15970	1.7
240.96686	0.4
267.11700	0.5
278.23398	0.2
347.08188	0.5
417.12692	0.9
431.10330	2.5
432.10846	0.3
434.90274	0.2
447.13467	100.0
448.13928	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.6
59.89244	0.4
61.98676	0.3
62.96254	0.9
68.79397	0.3
78.93700	0.5
78.95760	41.0
78.97601	0.7
86.01048	0.4
87.58166	0.4
96.96806	2.7
104.95864	0.3
148.99980	21.0
149.04764	0.3
152.99460	1.3
158.92451	1.8
173.69946	0.3
179.01085	2.3
201.02365	0.3
205.15900	2.1
234.88713	1.1
347.08203	0.4
356.06519	0.4
417.12567	0.9
431.10092	3.6
447.13464	100.0
448.13770	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08328	0.4
59.01243	6.5
61.29578	0.4
61.81678	0.3
64.23552	0.4
71.01247	1.6
73.02804	4.0
85.02801	0.8
87.00786	0.5
87.04369	2.5
91.73431	0.8
101.02315	1.1
112.10445	0.4
119.68736	0.4
124.23277	0.7
127.26797	0.5
128.03409	1.6
133.02866	0.4
135.04417	0.6
135.08047	1.6
137.09598	11.2
139.11191	0.6
155.05595	1.3
155.10669	100.0
156.11018	1.9
169.12248	1.2
171.07635	0.6
172.60976	0.4
173.02142	0.4
178.27553	0.5
181.08704	1.4
185.11678	1.0
194.55817	0.4
199.02425	0.8
199.09689	90.7
200.10081	2.3
200.11707	0.4
201.01886	1.4
213.11292	1.0
217.04927	0.8
226.71786	0.5
241.04999	0.8
241.10770	3.8
243.02867	0.6
245.14021	0.7
264.83810	0.5
285.03970	1.2
387.20297	0.7
403.16144	0.7
405.21255	0.6
447.07318	1.8
447.22293	3.0
466.69821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61088	0.4
52.55289	0.5
58.43209	0.5
59.01244	8.0
59.17326	0.4
59.17736	0.4
60.31083	0.4
61.66774	0.4
61.98691	0.5
71.01247	2.1
73.02805	4.6
77.50949	0.5
83.01273	0.5
84.69625	0.6
87.04382	2.0
89.02352	0.6
93.83329	0.5
101.02329	1.3
102.05479	1.0
108.01421	0.5
113.02295	0.5
124.23283	0.6
128.03403	5.5
135.08037	1.5
136.07538	0.8
137.09592	14.2
139.11089	0.8
146.04463	0.8
155.10667	100.0
155.16235	1.1
156.10948	2.6
169.12231	1.1
169.98624	0.6
178.31882	0.5
181.08636	1.5
199.09685	91.6
200.10023	2.5
241.10805	4.1
243.16032	0.9
273.05890	0.6
273.08954	0.7
285.04156	2.5
319.13037	0.6
403.16138	0.7
405.21140	1.4
430.16064	0.5
447.22412	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71371	2.1
55.01740	2.7
57.03293	2.7
59.01241	75.2
61.98678	3.0
68.22008	2.4
71.01241	18.0
72.85083	2.8
73.02801	6.9
83.01239	42.4
85.02813	14.1
86.63452	2.5
87.00757	3.1
89.02294	5.2
96.95871	5.7
101.02286	16.9
108.32930	2.9
113.02315	7.7
115.05759	2.7
128.03412	7.7
133.06171	2.7
142.11215	3.3
158.55070	2.8
164.07126	2.9
173.14444	2.9
317.16110	3.9
343.13834	5.0
361.15173	13.1
403.16107	100.0
404.16412	6.5
448.28186	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65222	1.3
59.01241	60.5
60.54855	1.5
61.98688	2.3
63.26148	1.4
68.32708	1.6
69.03277	1.4
71.01237	14.1
73.02801	5.8
77.64017	1.7
77.64486	1.7
83.01246	4.9
85.02806	6.8
87.00745	5.0
89.02320	1.8
96.74786	1.6
101.02310	9.2
113.02287	3.7
125.02317	1.7
146.09007	1.9
171.69511	1.6
199.13306	32.4
311.75253	1.9
343.17679	24.1
361.18729	62.7
403.19733	100.0
404.20203	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.3
57.03304	2.6
59.00126	1.9
59.01242	100.0
61.57809	1.6
61.98683	2.9
71.00871	2.6
71.01237	29.6
73.02798	13.0
78.77448	1.7
83.01244	7.9
85.02795	18.5
87.00727	2.3
89.02307	4.5
90.01766	1.7
97.02811	1.8
99.00739	4.8
101.02310	30.5
110.34457	1.6
111.68587	1.8
113.02318	12.4
117.01569	1.6
125.02320	2.3
129.89087	1.7
144.22510	2.0
158.77533	1.9
159.02792	2.5
161.04466	7.1
181.12421	2.4
201.02495	2.0
294.58920	1.9
297.31390	2.1
303.13641	2.0
304.67242	2.0
316.72635	1.9
317.19678	18.2
343.17816	9.1
361.18716	17.3
403.19760	91.9
404.20239	3.8
408.55969	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01773	0.3
53.72789	0.3
59.01247	1.4
59.87212	0.4
61.97480	1.5
61.98692	86.9
62.00094	1.2
66.24344	0.3
71.01261	0.4
73.02811	0.6
75.00696	0.5
82.95264	0.6
84.52341	0.4
91.73360	0.6
93.03355	0.5
101.02331	0.8
106.04127	2.1
107.04862	1.2
119.04899	3.1
120.05233	0.5
125.46229	0.3
125.66075	0.4
128.03433	1.0
137.01910	0.9
137.05960	100.0
137.10536	0.9
138.06297	2.1
144.49106	0.6
163.03998	0.7
164.04300	0.5
192.37350	0.4
341.12485	0.8
396.97720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85997	0.5
57.41489	0.7
59.01242	25.6
61.97329	1.7
61.98693	100.0
61.99903	1.6
69.03353	0.8
71.01236	8.4
72.99134	0.7
73.02806	8.5
75.00748	0.7
81.68590	0.6
83.01232	2.4
85.02805	2.1
89.02291	5.4
91.83660	0.6
96.78763	0.7
101.02304	12.8
101.25302	0.7
103.53732	0.8
113.02302	6.2
119.03401	2.9
119.04898	36.1
120.05242	8.4
123.96292	0.9
125.02326	1.1
128.03380	1.6
131.03386	1.3
143.03352	0.9
149.04486	1.6
161.04506	3.7
163.03906	26.1
164.04257	13.3
205.05008	1.1
206.05342	1.3
281.10327	18.6
299.11380	3.8
321.81183	0.8
341.12439	10.4
377.78537	0.7
398.81339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97044	0.2
57.38566	0.3
58.36687	0.2
59.01242	1.4
79.55038	0.4
82.02839	1.0
84.03898	0.3
84.04398	5.9
85.02806	0.7
88.57211	0.3
92.04916	0.5
94.06480	0.4
99.31352	0.3
100.03911	0.9
101.02316	0.4
102.05466	14.8
103.04134	0.5
106.06487	15.0
108.08035	1.7
110.02345	0.5
118.06480	2.7
118.36000	0.2
120.04392	0.7
120.08062	2.5
121.05194	1.0
128.03407	58.7
129.01782	0.5
129.03732	1.0
129.78148	0.2
131.06018	0.5
134.05992	54.4
135.06313	0.6
136.03908	1.5
136.07559	11.6
138.05487	0.7
140.07057	1.3
145.99187	0.3
146.04472	20.0
146.09492	0.2
148.35478	0.2
150.05450	0.3
158.09668	0.9
159.05524	5.4
161.07106	1.0
162.05438	0.9
172.02373	1.2
173.07143	1.4
173.10713	2.1
177.06618	3.2
177.95950	0.3
178.05011	26.2
179.05357	0.4
179.08162	0.5
180.06599	2.8
189.06653	0.5
191.08154	0.5
201.10245	10.3
203.08167	1.1
203.11784	2.5
217.09706	0.5
219.07658	0.7
219.11356	2.5
227.08218	0.6
245.09302	18.0
246.09531	0.3
247.10893	2.4
257.12827	0.5
263.10397	3.5
282.54910	0.3
289.08313	16.0
290.08704	0.4
291.09851	3.1
307.09375	100.0
307.24084	0.8
308.09723	3.3
309.10962	4.1
340.66376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55394	0.4
59.01237	3.9
61.98690	4.5
63.31837	0.4
71.01234	1.0
71.78394	0.4
73.02804	1.7
75.00738	0.5
77.56691	0.4
78.95730	0.5
82.02854	0.6
84.04389	1.0
85.02795	0.6
91.53758	0.4
101.02304	1.6
102.05473	5.7
106.06461	0.8
110.02364	0.5
113.02337	0.9
114.47194	0.4
123.03137	0.8
128.03409	100.0
128.07080	1.3
129.01768	0.5
129.03780	1.6
129.38988	0.5
131.06113	0.5
134.05969	0.6
136.07582	1.4
137.05992	3.2
138.01875	0.8
138.05486	9.0
139.02620	1.1
140.07085	2.4
145.07617	0.5
146.04477	6.7
161.07092	0.6
168.06573	0.6
172.02483	1.0
172.11395	0.4
197.10880	0.6
199.09904	0.5
211.12358	0.5
213.13937	1.2
214.12318	8.9
215.08334	0.6
239.11833	2.3
243.07880	0.9
245.09393	1.2
246.54871	0.5
257.12939	3.8
258.11148	0.8
273.08823	8.6
296.69458	0.5
301.11966	1.9
309.15024	0.9
319.12997	11.6
324.17157	2.7
340.13013	0.9
342.18460	0.8
350.15152	0.7
358.14047	3.6
368.16187	0.6
370.14471	0.8
383.11292	1.1
386.17386	0.5
390.04236	0.5
401.16751	0.5
412.15176	7.0
430.16254	9.1
448.12253	0.4
448.17499	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59787	0.3
58.99658	0.3
59.01234	1.1
61.98684	0.6
63.20663	0.3
71.01231	0.3
74.00885	0.4
80.09756	0.2
82.02848	1.1
84.04424	1.9
85.02806	0.8
89.02308	0.5
94.40173	0.3
100.03881	0.8
101.02292	0.6
102.05466	8.1
106.06498	1.1
108.08038	0.4
114.43679	0.3
118.06514	0.6
120.08035	1.0
122.05971	0.4
123.03104	0.7
128.03409	100.0
128.07341	1.1
129.01819	0.6
129.03725	1.2
134.06055	0.5
136.07536	2.3
138.05495	10.2
139.02669	0.6
139.25195	0.3
145.07516	0.3
146.04480	10.3
150.05559	0.6
161.07104	0.8
162.05544	0.4
168.06578	0.5
172.02388	3.6
175.08661	0.6
180.06589	1.7
186.12776	0.4
194.25940	0.3
197.10762	2.3
198.11548	0.5
203.11780	2.0
211.08757	0.4
211.12386	1.1
213.06648	1.3
213.13914	5.0
214.12343	8.5
214.14359	0.5
215.08266	0.5
217.06291	0.3
217.09776	0.7
224.09537	0.9
225.10362	0.4
226.11095	2.7
227.08243	0.8
228.09099	0.4
229.09843	0.4
238.13382	0.6
239.11888	10.0
241.13399	2.3
242.10503	0.8
245.09279	4.0
247.10878	1.1
255.11307	0.4
257.12918	6.6
258.11325	2.3
261.08820	0.4
264.11407	0.5
266.13046	1.1
267.11444	0.6
273.08832	43.6
274.09158	1.3
278.40735	0.3
279.10016	0.5
280.14511	1.0
282.12500	1.3
283.10873	0.9
285.03882	0.6
286.04346	0.4
289.08185	0.4
291.09860	0.6
294.12347	0.8
296.14035	1.2
301.11951	17.2
302.12387	0.5
308.13986	0.4
309.14868	5.9
319.13028	4.7
324.17172	9.6
340.13373	0.3
342.18231	0.9
350.14896	1.4
352.13696	0.4
358.14139	2.9
368.16168	1.2
412.14819	0.3
430.16220	16.5
431.16452	0.7
448.17252	9.6
449.17340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	5.6
60.99158	0.8
61.97478	1.3
61.98693	100.0
62.00056	1.5
62.51408	0.6
68.48172	0.6
71.01221	0.9
75.75174	0.5
81.02045	0.7
83.06894	0.7
86.02354	2.9
88.00279	1.0
88.47810	0.6
88.98659	4.9
89.02292	10.5
92.40266	0.6
100.41354	0.6
125.19115	0.6
127.08641	0.8
128.03419	11.5
128.04301	1.1
129.03789	2.5
138.01878	1.2
140.37288	0.6
153.06613	1.1
167.10413	0.7
171.07634	6.2
172.08095	1.9
197.11819	1.7
198.12056	0.9
206.01912	0.7
215.06770	0.8
231.10590	4.2
232.10852	3.1
234.50697	0.6
247.32225	0.7
281.04355	0.7
295.35425	0.7
307.77084	0.7
318.13934	2.0
319.14191	3.0
327.59302	0.7
409.43124	0.6
430.17612	1.3
448.18576	2.7
462.13278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2707
Annotation	Tongoline
Peak:m/z	Relative Intensity
51.45713	0.6
54.37836	1.1
56.94209	0.5
59.01229	3.0
74.02328	1.1
84.04410	2.8
102.02779	0.8
102.05469	62.0
128.03407	72.9
128.07597	0.8
129.03786	0.8
131.11545	0.7
146.04472	24.3
175.75101	0.8
178.90457	0.7
243.02875	0.7
319.22794	36.1
320.23126	1.2
363.81494	0.8
373.29425	1.5
386.27066	0.9
404.28162	4.9
430.25922	5.3
448.27078	100.0
449.27463	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64765	0.1
51.86619	0.2
56.16890	0.2
59.01243	1.5
71.01235	0.8
73.02778	0.2
78.95766	3.0
79.95594	2.7
85.02794	1.7
89.02309	1.3
96.93527	1.3
96.95869	100.0
96.96751	4.5
96.98562	1.1
97.95853	0.3
101.02308	0.6
106.44515	0.2
113.02311	0.3
113.92480	0.4
114.93264	0.6
118.95344	0.2
119.03369	0.5
128.03389	0.5
135.99959	0.2
161.04590	0.2
168.84366	0.2
179.05547	1.1
183.51665	0.2
192.83218	0.2
201.00656	0.2
239.53607	0.2
265.09302	0.8
329.05707	0.3
333.22021	0.2
351.13080	0.9
361.01767	0.2
440.04398	0.3
449.06253	0.3
458.51605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94292	3.3
59.01242	45.7
61.98711	3.6
64.99116	3.3
70.38448	3.0
71.01238	24.3
73.02822	5.1
85.02815	7.8
89.14185	3.3
99.41416	3.8
101.02332	8.0
109.02789	3.8
113.02294	5.0
117.60101	4.0
118.03915	3.5
124.76949	3.6
195.31758	4.2
197.06239	4.5
201.14911	51.2
209.82391	3.9
213.15147	4.2
217.05029	3.8
219.03078	6.0
261.04297	6.3
285.03848	4.7
320.90555	4.2
345.19211	26.5
363.20230	67.3
405.21289	100.0
406.21576	5.9
442.17847	4.0
443.16513	3.9
449.08984	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99112	0.4
54.20256	0.4
59.00032	1.3
59.01242	65.3
59.02573	0.7
59.11598	0.3
61.98692	0.6
64.93020	0.3
64.99112	0.4
70.02836	1.8
74.02327	10.7
84.04404	0.8
86.02349	0.6
91.72659	0.5
91.96545	0.4
98.02348	1.0
98.06001	0.7
99.00741	3.6
102.05441	0.4
103.38343	0.5
112.03907	1.4
116.03408	13.2
116.98132	0.5
119.27800	0.5
121.50460	0.5
126.05476	2.8
128.03374	0.7
140.03424	8.7
158.04510	0.7
171.13777	1.2
213.14880	1.2
218.06625	0.9
231.06752	1.0
231.15984	100.0
232.16348	2.5
236.07697	1.2
241.09206	1.7
312.18033	0.6
450.23526	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	61.1
74.02321	11.2
82.62052	2.0
88.51463	2.0
99.00765	3.7
116.03390	10.0
126.05513	3.6
128.03416	3.7
128.90341	2.1
131.02995	2.5
140.03410	10.0
196.46527	2.1
222.71344	2.3
231.15977	100.0
306.67804	2.4
372.86771	2.6
408.23337	2.7
443.79749	2.5
450.24173	8.2
451.70370	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	8.4
58.02840	30.1
59.01242	73.7
63.19895	1.8
63.70858	1.6
68.42043	1.6
69.03313	8.8
71.01237	13.1
73.02806	75.9
73.04494	1.8
75.00712	3.8
83.01241	81.9
85.02812	3.4
89.74006	1.8
99.04384	5.6
100.03902	12.2
101.02306	44.0
105.01808	3.7
111.00710	2.7
113.02312	26.2
119.03319	1.8
128.03365	2.1
131.03363	6.2
140.03441	10.3
142.04985	88.6
143.03418	7.7
161.04578	2.5
169.12251	2.8
176.28728	2.1
178.36980	2.3
187.13321	100.0
188.11876	2.0
188.13637	2.4
192.66740	2.1
202.07103	10.5
211.13271	2.6
215.44263	2.0
229.14427	28.6
258.38879	2.1
259.15497	9.2
270.17270	2.9
289.16818	3.1
456.41962	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99941	1.4
59.01243	100.0
59.02404	2.6
61.98666	1.3
67.00382	1.1
71.00900	1.2
71.01241	8.7
72.99168	1.3
73.02806	6.0
78.95755	3.6
83.01243	3.4
85.02808	4.6
87.70714	1.3
101.02293	15.1
111.82955	1.4
113.02325	4.4
116.97116	5.2
117.55215	1.4
118.92576	1.7
128.03426	3.5
153.86021	1.7
161.04420	3.6
173.73648	1.6
176.27632	1.5
212.51532	1.6
305.15936	2.5
335.17355	2.5
347.17386	7.1
365.13788	2.2
365.17786	7.2
389.18173	5.7
407.19260	95.2
408.19519	4.5
451.21988	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	42.0
61.98682	8.6
63.68690	5.0
70.02828	7.5
73.37596	5.9
78.03350	6.6
78.95766	7.6
96.48940	5.9
96.95858	13.1
99.00755	13.2
111.65040	6.5
112.03862	11.3
127.65166	6.9
128.78345	6.6
140.03421	60.0
144.33762	7.2
171.37794	6.4
176.08868	6.9
215.16504	76.8
220.14632	6.8
220.70132	6.4
221.15074	9.0
222.15779	9.4
236.03294	7.9
288.62943	7.1
313.02957	7.4
334.07379	41.3
335.07730	100.0
338.13538	12.2
392.14975	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2786
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.90422	0.3
78.93733	0.4
78.95760	18.5
83.22402	0.4
98.08575	0.3
121.99966	1.0
122.98355	0.4
134.98402	0.4
140.01053	5.2
152.99464	1.6
180.44373	0.4
196.03740	9.1
214.04811	1.8
235.14749	0.3
237.22406	0.5
249.73715	0.3
255.23293	100.0
255.33705	0.9
256.23624	3.5
290.87506	0.4
350.38660	0.4
452.27878	22.7
453.28400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19800	0.2
57.24686	0.4
57.25741	0.3
57.27258	0.3
59.01244	0.7
61.97321	1.5
61.98695	100.0
61.99882	1.3
65.14707	0.3
67.33495	0.3
72.25691	0.3
74.48714	0.3
81.68893	0.3
91.95920	0.3
99.96605	0.3
111.97541	0.3
132.72038	0.3
149.85866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2122
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
52.77483	1.3
58.23855	1.3
59.00968	2.9
59.01244	38.5
61.98693	100.0
71.01252	10.7
73.02805	28.1
83.01238	6.5
85.02806	2.3
89.02287	2.2
96.95915	2.2
101.02307	20.3
113.02298	4.5
115.00267	1.6
116.10039	1.4
131.03381	1.6
143.03468	1.5
154.33369	1.8
155.03339	1.8
161.04472	3.9
187.14870	5.2
231.13882	20.9
307.38785	1.6
390.68265	2.0
432.48083	1.9
453.21097	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2133
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
52.11744	0.3
57.03314	1.7
58.00463	0.5
59.00069	2.0
59.01241	100.0
59.02583	1.0
69.03312	1.0
70.99684	0.7
71.01237	40.0
72.99153	2.5
73.01176	0.7
73.02802	43.6
75.00727	1.0
83.01237	13.1
85.02805	11.6
85.03298	0.7
87.00744	2.1
89.00141	0.4
89.02295	23.5
95.01250	2.8
95.02577	0.4
96.95901	0.5
97.02787	1.1
99.00713	1.9
100.99673	0.8
101.02301	51.6
113.02305	18.8
119.03365	8.4
125.02316	1.8
131.03406	3.1
137.09555	2.1
143.03389	4.0
144.45261	0.5
149.04469	3.1
155.03380	1.5
161.04440	7.3
179.05544	1.7
187.14854	3.6
203.05547	0.6
221.06557	0.6
231.13866	31.9
232.14233	1.3
249.14923	2.6
367.21252	0.6
371.17105	0.6
393.19205	18.1
394.19611	0.7
411.20255	13.6
412.20676	1.0
453.21335	43.5
454.21387	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2132
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
53.88451	1.3
58.80780	1.7
59.01239	82.0
69.68236	1.5
71.01230	20.2
72.19527	1.3
72.20537	1.5
72.99152	1.9
73.02798	26.2
77.78739	1.3
83.01241	9.4
85.02805	6.5
89.02299	7.7
96.95892	2.2
101.02295	23.0
113.02305	11.4
113.80415	1.6
119.03359	3.0
128.03389	1.7
143.03355	2.2
144.50267	1.7
149.04451	2.1
161.04456	4.1
187.14828	7.4
199.62846	1.8
231.13864	100.0
232.14156	2.7
249.52269	2.2
299.72333	1.8
393.19238	11.5
411.20200	4.7
453.20865	2.4
454.47382	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2133
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01733	0.9
57.03319	0.6
58.00470	0.8
59.01242	100.0
59.02473	1.8
71.01236	20.2
72.99197	0.6
73.02803	26.2
83.01247	6.3
85.02806	5.9
87.00744	0.8
89.02290	11.2
91.75045	0.6
95.01242	1.0
97.02814	0.8
99.00736	1.0
101.02302	24.5
113.02313	6.9
119.03387	4.3
125.02287	1.1
131.03398	1.2
137.09601	0.7
138.75211	0.7
143.03377	1.3
144.45337	2.0
144.57410	0.7
153.44385	0.6
161.04471	2.3
187.14804	3.7
205.44630	0.7
231.13879	11.0
249.14848	1.1
305.47107	0.6
393.19083	3.9
411.20221	11.5
453.21362	69.3
454.21750	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.4
59.00195	1.2
59.01242	100.0
59.02411	1.8
60.01578	0.3
69.03345	0.3
71.01237	11.2
72.99164	0.7
73.02803	8.1
73.09972	0.2
75.23836	0.3
81.86978	0.3
83.01244	2.5
85.02814	2.6
87.00741	0.5
87.78148	0.2
89.02294	7.8
91.73351	0.5
95.01255	0.6
97.02807	0.3
99.00747	0.5
101.02299	9.7
102.02591	0.3
103.32498	0.2
113.02305	4.7
119.03368	3.3
128.03381	0.3
131.03404	0.7
136.04625	0.2
143.03354	0.4
144.45372	0.3
161.04471	1.1
179.05560	0.6
187.14835	1.3
231.13890	2.9
273.66977	0.3
313.34323	0.3
379.91684	0.3
389.74030	0.3
393.19220	2.0
411.20151	2.2
453.21347	12.4
454.22009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52979	0.2
58.99990	0.4
59.01242	29.9
59.02386	0.6
60.42593	0.2
61.97295	1.5
61.98692	100.0
61.99902	1.6
64.34750	0.2
65.19189	0.3
71.01235	2.2
72.93085	0.2
73.02810	0.9
83.01268	0.3
85.02819	1.2
89.02292	0.3
95.01264	0.3
101.02300	1.5
111.84593	0.3
113.02318	1.1
128.03474	0.4
146.11925	0.3
159.02876	0.3
161.04436	0.7
287.15167	0.4
305.16049	3.1
347.17157	2.4
431.55792	0.3
478.56409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	6.8
58.02839	19.6
59.01239	37.3
61.78953	2.6
64.82162	2.1
66.10136	2.4
66.39356	2.3
66.79514	2.2
67.92036	2.3
69.03315	3.1
71.01239	5.5
73.02802	35.0
76.73444	2.6
83.01238	48.2
91.72755	4.3
92.22745	2.6
100.03908	31.7
101.02297	37.5
102.05544	2.9
103.44267	2.7
112.03911	2.9
113.02360	5.8
131.03415	5.7
140.03421	12.2
142.04980	100.0
160.06030	3.2
161.04442	5.2
177.29285	2.9
186.06020	3.1
202.07143	30.1
215.16473	63.5
215.18466	5.2
238.04961	4.7
257.17645	19.6
309.54688	3.0
314.84009	3.0
349.03400	3.3
374.67871	3.4
416.14621	3.6
454.22153	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90017	2.8
58.02836	18.0
59.00970	4.7
59.01245	47.5
59.39773	3.4
61.98678	22.2
71.01237	7.6
73.02808	58.7
82.14862	3.4
83.01237	54.2
100.03900	19.8
101.02293	34.2
113.02313	14.2
134.71529	4.3
135.04381	5.2
140.03419	7.7
142.04985	76.6
143.03398	7.5
202.07178	12.8
215.16493	100.0
257.17599	39.4
287.18582	8.0
440.72562	4.6
454.22150	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0977
Annotation	Riboflavin monophosphate
Peak:m/z	Relative Intensity
51.11477	0.3
52.54039	0.3
52.93999	0.3
53.63815	0.3
59.01234	0.8
65.53526	0.4
70.89136	0.4
78.94035	0.8
78.95758	75.8
78.97672	1.0
84.70412	0.4
88.91171	0.4
96.94534	1.3
96.96819	100.0
96.99450	1.2
121.92323	0.7
125.09655	0.4
131.49466	0.4
138.97902	3.5
144.08069	0.4
163.03944	0.6
164.07002	0.5
169.07678	0.5
180.99052	0.4
184.08722	0.9
198.06679	1.5
199.00058	12.5
212.08228	5.0
213.01639	10.8
241.07301	5.1
243.08868	0.6
253.67737	0.4
255.08905	6.5
334.50436	0.6
357.12381	0.4
452.29303	0.4
455.09756	27.0
456.10092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84420	1.4
55.01735	1.2
58.99982	1.7
59.01242	100.0
61.98693	1.7
64.70552	1.4
71.01240	25.8
72.99174	2.1
73.02806	17.9
83.01236	4.1
85.02796	7.6
87.00725	3.2
89.02295	26.2
91.72682	2.4
95.01244	1.6
96.95891	2.1
96.96786	1.6
99.00770	2.2
99.37088	1.7
100.52317	1.6
101.02303	28.8
113.02322	13.1
119.03363	11.1
125.05940	16.5
133.02855	1.9
142.15312	1.9
145.06514	7.0
149.04366	1.9
153.86084	1.7
161.04449	4.2
169.04979	5.6
179.05560	4.2
181.54141	1.8
271.20392	5.1
290.33884	2.1
315.09515	2.1
318.99448	2.1
325.12900	11.1
369.11926	17.8
393.11960	6.4
411.12967	73.8
412.13120	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74834	2.0
53.83728	2.1
59.01251	2.9
63.96095	8.3
75.50951	2.5
77.97269	2.4
79.95602	4.6
81.03316	7.0
91.05396	5.3
95.01257	11.8
95.04875	8.4
98.60117	2.7
107.04900	12.1
108.02068	3.2
109.02817	5.2
111.48832	3.4
119.04895	18.5
121.02838	4.3
121.06458	11.2
122.03656	5.3
123.04331	4.0
129.81714	2.8
133.06470	53.4
133.07442	4.0
135.04395	86.9
137.05948	29.6
140.96191	2.7
147.04395	12.0
148.21191	2.8
150.02936	3.0
150.06795	7.7
163.03886	2.9
179.01668	4.8
180.02423	11.9
182.05811	7.3
212.01457	12.6
228.63423	2.3
293.15857	9.1
294.16559	28.6
314.21771	2.6
326.15591	100.0
455.26367	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3168
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
52.00631	2.4
52.68774	2.6
60.88704	2.7
69.03326	4.2
77.07533	2.7
79.83781	3.3
81.05463	2.8
90.93095	2.7
109.06459	30.9
211.12045	3.5
237.32214	3.6
339.26779	5.0
353.28552	10.6
355.30026	14.2
367.30139	4.9
374.55289	3.4
377.28622	3.9
383.28949	4.1
383.33405	4.8
390.82941	3.3
393.27670	4.0
395.29614	38.2
409.31134	4.0
411.32687	100.0
412.33261	9.9
455.16699	11.4
455.31738	43.9
475.68994	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88181	0.5
55.67855	0.4
59.01242	15.4
61.67937	0.9
61.68230	0.4
61.98672	0.6
64.45525	0.4
64.96876	0.5
65.30659	0.4
71.01247	4.5
73.02800	2.3
75.23972	0.6
75.75809	0.5
79.22144	0.5
82.95245	1.2
83.01228	0.6
84.94977	0.5
85.02798	2.6
91.73389	1.0
93.03327	1.6
101.02296	2.2
106.04102	12.2
107.02104	1.3
107.04889	100.0
107.08050	1.2
108.02032	2.0
108.05222	2.2
113.02334	1.2
115.60220	0.4
119.04888	1.4
121.02808	1.7
121.85479	0.5
123.04425	0.8
124.04661	0.5
128.03386	1.2
129.79851	0.5
136.07561	71.1
137.07869	1.6
138.03049	0.9
149.05971	0.6
161.04518	1.0
161.06003	1.7
164.07072	93.8
165.07378	2.1
180.06589	1.1
208.06099	66.9
208.14514	0.9
209.06413	1.8
370.11392	4.9
412.12534	76.2
413.12836	3.6
445.20740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	16.7
59.25928	0.6
61.67943	0.9
63.52846	0.8
71.01237	4.9
71.10872	0.6
73.02792	2.2
80.24654	0.6
84.94974	0.9
85.02806	2.9
93.03304	1.8
101.02296	2.2
101.45176	0.8
106.04105	13.1
107.04884	100.0
107.07823	1.4
108.02045	1.5
108.05225	1.3
113.02306	1.5
119.04878	1.4
121.02831	1.4
123.04345	1.1
126.25520	0.7
128.03442	1.0
128.63728	0.7
136.07558	70.0
137.07906	1.4
149.06007	0.8
161.04523	0.7
161.05994	2.0
164.07068	98.0
165.07394	2.9
208.06091	69.0
208.14011	0.9
209.06436	1.1
245.31093	0.8
370.11462	4.7
412.12521	78.6
413.12814	4.7
445.21024	1.0
484.56052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99940	0.5
59.01242	38.3
59.02417	0.6
60.01569	0.6
61.97246	0.9
61.98693	100.0
61.99951	2.0
63.55412	0.3
65.19203	0.3
71.01240	2.7
73.02806	2.2
78.95738	0.4
82.91496	0.3
83.01235	0.7
85.02811	1.3
87.00735	0.3
89.02295	1.1
96.95251	0.5
96.95870	7.8
96.96800	0.4
99.00738	0.6
101.02293	3.4
107.04758	0.3
113.02306	1.2
114.05426	0.5
120.01084	0.4
128.03357	0.4
143.03363	0.3
161.04370	0.7
189.12694	0.5
190.12994	0.3
190.56239	0.3
209.63036	0.3
233.11745	0.3
263.04984	0.3
307.17676	3.8
316.66486	0.3
332.89697	0.3
349.18677	2.5
396.17468	0.4
414.18048	1.0
455.19150	1.8
456.19574	6.6
456.25610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00697	0.7
58.99947	1.0
59.01243	78.9
59.02441	1.6
60.42366	0.8
63.65950	0.6
64.87514	0.8
69.55510	0.7
69.60749	0.6
83.06030	1.1
86.35180	0.8
86.94235	0.8
131.08147	7.9
150.05173	2.0
157.03473	4.6
159.01408	6.1
172.00912	10.7
192.02675	1.9
192.06314	1.3
194.07758	1.0
196.05713	11.5
201.02490	100.0
202.02663	3.8
214.05765	0.9
217.00316	4.1
231.08476	2.1
232.98456	0.9
238.06816	46.2
239.07138	2.5
255.09488	13.2
259.01782	1.4
273.10760	1.6
281.08994	1.6
283.02890	0.9
303.23486	0.8
315.11697	1.7
317.00958	1.8
355.08722	2.8
359.01642	2.0
368.83972	0.9
380.08026	7.1
381.08215	1.0
397.05563	1.7
397.10721	3.0
413.13379	0.9
415.11880	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03273	0.8
58.00467	1.1
59.00005	1.5
59.01241	100.0
59.02353	1.5
59.02608	0.9
61.75592	0.8
65.30082	0.8
69.03300	1.8
71.01239	30.8
72.52528	0.8
72.99161	1.2
73.01109	1.2
73.02803	77.3
81.94528	0.8
83.01242	19.2
83.27451	0.8
85.02794	3.2
87.00744	0.9
87.34677	1.0
89.02299	10.3
93.06944	2.1
97.02805	1.3
99.00746	1.6
100.99557	1.1
101.02302	61.8
102.02685	0.9
102.27617	0.9
113.02309	13.4
119.03421	2.2
119.08572	1.7
125.02307	2.4
128.03368	1.0
131.03363	4.7
143.03366	6.6
147.11674	19.7
149.04425	5.2
149.48178	0.9
155.03369	2.4
161.04448	11.7
161.97824	1.0
173.71170	1.1
174.99213	1.2
185.33481	1.0
191.10706	19.6
209.11763	1.4
217.00246	3.8
251.04492	1.1
287.10852	1.0
288.95148	1.1
315.33795	1.3
355.04608	1.2
364.60776	1.0
374.99130	2.0
413.18185	10.8
457.20569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2364
Annotation	[(1R)-1-(hydroxymethyl)-2-phosphonooxy-ethyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Peak:m/z	Relative Intensity
55.92177	0.2
59.01240	0.3
59.17131	0.4
62.96255	0.3
66.18420	0.2
78.93900	0.8
78.95760	53.5
78.97361	0.6
83.89506	0.2
89.84843	0.2
96.96818	6.2
150.97916	2.1
152.94646	1.2
152.99474	100.0
153.99814	0.5
171.00549	4.0
175.11696	0.2
248.91016	0.3
457.23608	4.2
458.23904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	57.9
61.98696	13.3
71.01243	3.1
82.02855	3.8
86.02313	3.0
88.57140	1.3
89.02275	2.4
91.72757	1.6
96.95867	15.3
98.95442	10.7
99.00765	2.0
102.05464	13.8
120.01120	2.8
122.06023	2.3
125.38219	1.6
127.08637	2.2
128.03409	32.4
132.04436	6.0
133.05179	2.4
134.05989	6.7
135.11670	1.7
146.04501	11.5
148.03928	2.4
150.05464	2.6
160.03987	8.4
161.04703	11.8
162.05525	16.3
171.07709	7.6
183.04225	1.8
188.03418	3.1
193.03767	11.9
209.11870	2.4
214.04959	2.5
214.08595	8.7
226.08731	6.8
239.27853	1.6
241.06218	6.3
241.09857	2.4
254.06868	2.3
255.07832	2.0
257.09351	18.1
267.11478	2.2
267.85718	1.8
268.09793	5.4
269.09332	30.9
285.12543	10.6
311.10406	100.0
312.10687	3.7
329.11450	34.7
330.13837	5.2
399.16516	2.3
414.16669	6.8
458.15695	40.2
458.21509	3.3
459.17346	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	7.7
68.39517	2.1
71.47663	2.5
78.95763	2.4
83.39230	2.3
84.04419	7.1
86.00835	2.1
91.73360	3.8
95.04617	2.2
101.76501	2.3
102.05466	15.3
103.68247	2.0
104.67905	2.1
106.06489	62.3
108.08036	12.9
120.17595	2.4
127.28904	2.5
128.03409	100.0
131.06021	8.3
146.04459	14.6
148.07570	3.0
150.05434	2.9
151.99191	2.4
172.02434	9.0
189.06708	3.0
191.11884	4.1
217.09813	7.8
241.13422	36.0
266.13046	6.3
267.11377	4.0
285.12524	40.6
337.41861	2.8
352.16287	3.0
378.14597	5.6
396.15552	22.8
414.16721	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78514	0.7
59.01235	2.0
62.66848	0.7
71.01217	1.1
72.29710	0.8
75.00726	8.5
78.95767	0.9
87.00719	1.4
88.16009	0.7
88.93233	0.7
89.02306	0.8
96.95865	1.3
100.01545	0.8
102.16410	0.7
116.92710	4.5
117.01830	1.3
128.03394	1.8
131.92007	0.9
133.02835	2.1
134.03650	2.7
135.00142	1.3
135.02856	31.4
135.04390	99.5
136.04730	1.8
153.05385	1.1
161.02336	15.3
179.03409	100.0
180.03792	1.4
215.78484	0.9
246.79956	0.8
257.86295	0.9
297.06088	6.3
323.07721	13.4
341.08746	20.9
459.11459	28.9
460.11816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95207	2.1
52.89418	2.9
57.18596	2.3
58.14898	2.0
59.01237	21.7
60.91908	2.3
61.05258	2.4
63.77847	2.2
63.96156	2.0
66.79499	2.4
71.01241	7.5
73.02795	4.1
75.00728	31.4
80.96378	12.8
87.00757	3.7
89.02298	8.1
94.97933	3.1
96.95872	11.4
101.02280	4.6
116.92706	3.4
128.03429	10.5
130.08597	2.7
133.02840	12.3
134.03595	3.9
135.02863	100.0
135.04395	91.1
147.45343	2.6
160.01479	4.7
161.02330	67.0
161.85617	2.6
162.76184	2.9
179.03401	88.7
276.51828	2.9
297.06052	7.1
317.55972	3.3
323.07742	50.1
341.08755	46.9
459.11386	23.6
459.15936	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27956	0.3
59.01244	2.9
71.01231	1.8
72.99144	0.3
73.01170	0.8
73.02803	40.7
74.73911	0.3
75.00732	1.4
76.64896	0.3
78.95760	0.4
89.02301	2.3
96.95893	2.5
99.00734	5.7
99.92438	0.6
101.02277	1.1
107.31171	0.3
113.02269	0.6
116.92722	14.9
116.98495	1.4
117.01799	100.0
117.92721	0.8
118.02135	0.8
119.03330	1.1
128.03415	1.3
129.48999	0.4
161.04515	0.6
179.05502	1.4
217.10484	0.5
237.56894	0.5
341.10938	2.7
441.16623	0.5
459.17694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	0.8
59.01245	10.8
61.98692	0.9
71.01229	2.7
73.02792	4.3
75.16180	0.7
83.01231	0.8
85.02807	1.2
87.00737	0.7
89.02299	1.1
96.95851	1.1
101.02289	3.2
113.02299	1.3
128.03401	1.3
131.08542	5.5
132.10492	0.9
147.08083	0.7
149.08420	1.7
149.09607	26.8
150.09938	0.9
167.10681	39.0
168.11015	1.1
190.39241	0.8
191.24016	0.7
197.38904	0.7
211.09706	100.0
212.10016	4.8
237.14914	1.8
253.10878	2.0
255.16025	3.2
387.05295	0.9
399.20264	2.6
411.10254	0.9
417.21332	5.3
431.04260	1.0
459.22363	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	0.8
59.01245	10.8
61.98692	0.9
71.01229	2.7
73.02792	4.3
75.16180	0.7
83.01231	0.8
85.02807	1.2
87.00737	0.7
89.02299	1.1
96.95851	1.1
101.02289	3.2
113.02299	1.3
128.03401	1.3
131.08542	5.5
132.10492	0.9
147.08083	0.7
149.08420	1.7
149.09607	26.8
150.09938	0.9
167.10681	39.0
168.11015	1.1
190.39241	0.8
191.24016	0.7
197.38904	0.7
211.09706	100.0
212.10016	4.8
237.14914	1.8
253.10878	2.0
255.16025	3.2
387.05295	0.9
399.20264	2.6
411.10254	0.9
417.21332	5.3
431.04260	1.0
459.22363	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04819	3.2
59.01237	26.6
59.43626	3.0
61.98685	5.8
71.63036	3.5
73.02813	6.4
74.02295	4.3
86.02332	25.1
89.02307	3.6
96.95860	25.9
101.02324	3.7
116.92695	5.6
120.01105	22.8
127.08638	13.5
128.03407	100.0
135.11731	5.6
153.06615	6.3
171.07652	53.9
178.23026	3.8
191.45357	4.5
209.11768	23.7
215.06607	8.7
222.99699	3.8
243.10570	8.3
249.05630	7.3
262.83746	4.0
330.13824	36.2
441.17218	10.9
459.17722	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
58.02834	1.1
59.01242	15.3
59.02419	0.3
61.98690	0.4
64.57478	0.2
67.05378	0.2
69.03306	0.6
70.02833	0.3
71.01237	0.6
71.04875	0.2
72.00759	0.6
74.02328	2.6
81.04430	0.2
81.06982	0.2
82.02842	2.5
83.04877	0.2
84.04401	3.7
85.01033	1.0
85.02820	0.2
86.02328	21.0
86.04433	0.3
88.03896	1.4
88.98663	0.2
89.02300	0.2
96.04394	1.0
98.02307	0.2
100.07537	0.4
101.02323	0.4
107.06012	0.5
107.08530	0.2
109.03922	0.2
109.07587	1.0
110.05926	0.2
115.02092	1.3
117.03666	0.3
119.08535	0.4
120.01117	2.2
125.07042	0.2
126.01860	0.2
126.05424	0.3
127.05015	3.5
127.07619	0.6
127.08638	15.2
128.03404	100.0
128.07133	1.3
129.03743	1.4
131.05272	0.3
133.10104	1.3
135.05522	0.5
135.11670	11.7
136.12047	0.3
147.11665	2.0
153.06586	9.3
154.04944	0.3
161.04688	0.2
165.12717	1.2
171.07654	52.4
171.13553	0.6
172.07965	0.7
179.04521	2.9
179.06064	0.2
179.10709	1.2
181.12233	0.3
191.10696	0.9
197.05608	2.5
199.11554	0.9
200.91780	0.2
209.11775	13.8
210.12105	0.4
215.06676	10.2
215.14862	0.2
216.07050	0.3
225.09552	0.4
243.10587	16.4
244.10944	0.5
268.10266	0.2
312.10739	0.5
330.13828	46.4
331.14160	1.3
399.16711	0.3
441.17017	8.4
442.17307	0.4
459.18106	22.1
460.18558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18105	0.3
52.35170	0.3
53.12474	0.4
54.20701	0.4
55.01746	0.9
57.03310	1.6
58.00445	1.0
58.33087	0.4
59.00050	0.8
59.01243	52.6
59.02558	0.8
61.52749	0.5
69.03302	0.5
70.99638	0.5
71.01238	21.4
72.99165	2.4
73.02809	7.7
78.98750	0.5
81.03326	0.7
81.72397	0.5
83.01237	3.8
83.04861	0.6
85.02294	0.7
85.02800	9.2
85.99965	0.6
87.00737	3.5
89.02300	8.4
94.85791	0.5
95.01227	1.6
96.95873	0.6
97.02790	1.4
97.98194	0.5
98.33581	0.9
98.34141	0.7
99.00740	2.3
99.35654	0.5
101.02308	13.8
111.00757	1.2
112.01540	0.5
113.02306	8.3
119.03369	2.2
124.01482	1.0
125.02331	3.6
141.01846	0.6
143.03363	0.6
149.13248	0.7
152.04349	1.2
172.19394	0.5
177.12370	0.5
181.12251	1.5
193.12265	5.0
211.13338	14.4
355.17627	20.0
356.17929	0.9
356.99640	0.5
367.14001	3.6
373.18686	55.3
374.19077	2.3
397.18945	0.6
401.17459	0.5
415.19775	100.0
416.20163	5.2
423.13403	0.9
459.22507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3118
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
69.03308	5.6
91.73352	2.2
107.04893	4.3
109.06451	65.1
141.71791	1.5
146.65761	1.7
164.14986	1.6
208.58606	1.7
289.99142	1.7
303.27209	2.9
341.28745	2.7
343.30045	31.6
371.33148	13.3
397.31207	11.5
415.32184	51.2
459.31177	100.0
460.31540	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3482
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
60.99179	3.1
64.90384	1.0
73.10915	1.3
73.75074	1.2
89.95531	1.3
106.75081	1.7
107.52843	1.3
166.70470	1.4
197.50856	1.6
315.26947	1.5
329.71744	1.7
397.34668	3.9
404.43344	1.6
441.33905	3.2
459.34842	100.0
460.35208	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86509	0.9
58.00186	1.0
59.01238	4.1
61.98695	1.9
66.97336	1.0
71.01241	1.5
71.02229	1.0
72.99167	1.2
79.64529	1.2
93.03313	1.8
94.89513	1.0
101.02327	2.6
102.05470	31.0
102.06125	1.9
121.02809	2.2
122.06004	4.6
124.02166	1.2
128.03412	89.2
129.03822	1.9
135.04462	1.5
135.05495	1.3
143.04495	2.7
146.04474	31.1
146.05820	2.3
146.06099	2.3
148.03914	2.1
151.03908	3.2
151.22163	1.2
155.94908	1.1
163.06369	1.3
169.42592	1.3
174.05652	2.2
193.99167	1.6
195.05360	1.3
196.07620	2.1
198.09230	2.8
209.39540	1.3
219.79135	1.2
225.10295	2.4
226.07466	2.4
226.12334	20.0
227.11902	4.3
237.07901	1.7
238.07484	3.1
239.08258	4.5
240.08989	3.5
241.09729	6.6
251.08247	3.7
251.11946	1.8
252.08931	3.3
252.10396	4.5
253.09808	21.4
254.10564	8.9
259.10818	1.5
265.09915	1.8
267.11462	17.3
269.12970	44.9
270.13568	1.6
271.10965	2.1
277.09848	3.7
279.08096	1.4
280.08530	4.5
283.11066	2.5
295.10892	100.0
296.11194	3.6
306.07654	2.2
312.58694	1.5
313.11917	23.5
331.13135	6.5
336.17172	2.3
338.15146	3.8
354.18286	2.0
380.16467	1.5
398.17291	12.3
424.15237	3.5
442.16248	51.0
443.16153	2.1
460.17252	34.9
460.23260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17485	2.8
55.46885	4.4
59.01025	3.0
59.01247	37.0
64.80765	3.5
69.35727	3.9
71.01254	6.3
74.02346	4.5
75.00742	20.1
89.02307	5.2
96.95881	4.4
101.02292	3.9
106.00526	4.9
128.03392	25.7
133.02866	4.9
134.00023	4.1
135.00677	4.7
135.02887	35.3
135.04385	100.0
161.99434	6.7
163.00243	11.0
163.37756	4.2
176.98244	6.5
178.99736	4.8
189.98981	45.7
193.01373	8.9
209.06073	4.6
237.05592	11.9
249.05504	5.2
260.76474	3.7
281.04575	14.5
285.04111	11.5
297.03867	7.1
306.07791	5.5
314.78333	4.3
315.05191	5.3
325.03531	84.4
326.03964	4.5
341.03070	8.1
343.04581	28.3
371.03934	6.1
461.05658	6.9
461.24411	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1303
Annotation	Sibiricose A3
Peak:m/z	Relative Intensity
59.01242	1.0
60.07124	0.4
61.29180	0.3
71.01233	1.1
73.01036	0.5
73.02814	1.1
78.95756	0.7
89.02301	1.0
91.84493	0.4
93.03316	66.6
93.05814	1.0
94.03658	0.6
96.95867	2.0
96.96805	0.5
99.00774	0.5
101.02330	1.0
101.85838	0.4
113.02326	0.7
117.01799	1.8
117.54932	0.5
119.03350	0.8
119.04882	0.5
128.03375	1.2
136.98343	1.1
137.02324	100.0
137.06793	0.8
138.02686	1.2
161.04456	0.6
171.07744	0.5
179.05603	0.5
180.56345	0.4
181.07768	0.4
189.35577	0.4
221.56601	0.5
306.43759	0.6
327.13306	0.5
342.69983	0.5
346.64703	0.5
461.13046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71611	0.4
52.83724	0.4
54.91590	0.4
58.02829	0.7
58.45790	0.4
59.01238	1.0
61.98689	1.2
70.02858	0.5
71.01224	0.5
72.00770	1.3
74.02325	5.0
82.02818	2.2
84.04399	2.5
85.03934	0.6
96.95873	0.5
101.07082	0.5
108.04400	1.8
109.03955	2.1
112.03960	0.6
113.07054	0.5
116.04925	9.0
121.15250	0.5
123.05502	0.5
127.04997	7.5
128.03406	100.0
128.07333	1.2
129.03717	1.4
137.03412	0.4
141.06572	4.9
142.06490	3.2
146.04451	0.5
146.30206	0.5
150.05492	2.0
151.08662	0.5
153.06631	0.7
159.09142	2.5
167.04529	3.7
169.09605	0.6
185.05589	4.1
188.46597	0.5
194.09384	0.8
195.07678	0.9
203.08191	17.5
221.05853	0.6
239.06647	2.8
270.12558	2.0
288.13416	0.6
314.11484	16.0
332.12527	15.6
425.14828	3.4
443.15811	7.5
444.16064	0.6
461.16812	15.0
462.17538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27559	0.4
59.00074	1.9
59.01242	100.0
59.02263	1.1
59.02589	0.8
59.88283	0.3
63.13990	0.4
63.14297	0.5
63.14648	0.4
71.01248	1.8
73.02817	0.8
75.00728	0.5
85.02825	0.7
88.98634	0.6
89.02312	0.9
96.95870	0.5
101.02267	1.7
102.05443	0.3
113.02336	0.7
119.03339	0.5
128.03413	1.8
151.00349	0.4
163.28966	0.4
359.17334	1.5
399.17227	0.5
401.18256	1.3
417.17529	1.9
461.20435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86239	0.3
59.00035	0.5
59.01242	24.0
59.02586	0.3
62.72035	0.2
70.31221	0.3
72.79834	0.3
78.46631	0.3
87.65685	0.3
88.39518	0.3
96.95886	1.0
103.01160	1.5
103.03870	100.0
104.04216	0.9
127.08630	0.7
128.03398	4.4
128.25940	0.3
130.08643	0.5
135.02878	0.5
135.04395	0.9
143.01891	0.4
149.09592	0.4
169.73569	0.4
171.07629	1.6
179.03442	1.3
185.02892	0.4
189.07639	3.7
212.27356	0.4
219.72882	0.3
223.73627	0.3
229.05695	0.5
231.04430	0.4
249.05473	2.2
257.18707	1.8
271.06744	0.5
297.08813	0.3
343.80582	0.4
383.43280	0.3
414.62762	0.3
443.42151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70253	0.8
58.23107	0.8
59.01242	19.8
61.98694	52.3
71.01227	6.1
73.02807	2.8
83.12416	0.9
85.02810	1.7
89.02290	1.1
98.11898	1.0
98.52219	0.9
101.02308	3.1
102.05450	1.8
103.44246	0.9
105.39058	0.9
106.04089	2.6
107.01730	1.3
107.04888	100.0
108.05196	1.4
113.02290	1.8
116.20624	1.0
120.76772	0.9
128.03406	3.4
146.04509	3.2
146.07259	1.1
151.03903	29.2
160.72572	1.0
161.04475	2.7
161.05882	1.2
203.05595	3.3
257.92322	1.3
262.00812	1.2
271.10928	2.8
284.02209	1.3
297.08923	5.2
334.05972	1.1
349.67807	1.1
355.10388	3.1
383.01855	1.4
444.13828	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1918
Annotation	4-hydroxy Nonenal Glutathione
Peak:m/z	Relative Intensity
50.46322	1.2
53.80824	0.5
56.56865	0.6
57.03273	0.7
58.02840	6.8
59.01225	2.5
59.35738	0.6
59.36023	0.6
61.98680	1.0
62.02580	0.6
66.03316	0.7
71.01237	1.3
72.00769	1.1
73.02809	0.8
73.15499	0.6
74.01945	1.0
74.02331	13.8
82.02829	2.0
86.02331	6.8
86.05958	1.5
86.98945	1.1
87.05493	3.1
90.06721	0.7
96.04404	0.8
96.95867	2.7
97.03924	1.9
99.05502	16.9
99.99687	1.0
101.07066	2.7
102.05468	2.8
107.05936	0.7
109.03913	2.8
109.07565	1.1
111.05523	1.9
112.03921	2.6
116.01638	1.2
119.71626	0.6
123.05492	1.8
123.94973	0.6
125.03439	1.4
127.05038	3.4
128.03412	41.2
129.03731	1.4
129.99593	0.9
131.04446	0.7
135.04616	0.6
135.05501	3.9
137.07109	1.2
141.06590	2.8
143.04503	55.7
143.08929	0.9
145.06056	1.9
146.04488	5.3
153.06589	4.0
160.00639	12.5
166.09726	1.8
167.04530	4.1
167.08130	1.9
171.08444	1.2
177.03357	6.2
179.04529	10.5
181.06155	1.8
185.05602	2.4
197.05627	1.9
210.08775	10.4
213.03427	0.8
215.12737	0.9
242.07768	1.4
254.07803	17.1
272.08881	24.9
288.06592	8.9
306.07669	100.0
307.07825	2.0
357.69919	0.8
359.17566	1.0
419.19260	3.3
462.19305	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24860	0.7
59.01241	66.2
59.09269	0.7
68.61243	0.8
70.06750	0.8
74.02325	3.3
98.06001	1.1
99.00788	1.1
116.03381	4.6
126.05460	2.4
140.03429	3.5
154.40187	1.0
217.00226	1.6
229.20871	1.2
243.19633	100.0
244.19954	2.3
301.65213	1.3
461.58478	1.1
468.02914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62526	0.6
56.95851	0.6
59.00047	0.8
59.01242	60.9
59.02274	1.0
59.02541	1.1
61.98693	0.8
62.43213	0.7
70.02843	1.6
70.07758	0.7
74.02326	12.3
74.17710	0.6
76.17587	0.8
79.97196	0.6
80.54198	0.7
80.58865	0.6
81.63030	0.8
84.04397	1.0
98.05955	0.9
99.00731	3.5
112.03888	1.9
116.03401	11.0
126.05470	3.6
140.03406	13.9
142.84691	0.9
145.87759	0.9
200.05493	0.9
214.45973	0.7
218.06734	1.0
226.59215	0.8
226.83263	0.7
229.21049	1.6
236.07814	1.0
243.19633	100.0
244.19951	1.7
251.48755	0.7
277.65048	0.8
462.26877	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0675
Annotation	11-O-Demethylpradinone I
Peak:m/z	Relative Intensity
52.33984	0.3
52.57428	0.3
59.01241	1.9
61.98708	0.4
67.12484	0.5
67.12817	0.4
67.66269	0.3
69.78832	0.3
71.01257	0.5
73.02808	0.4
76.89162	0.9
76.89563	0.4
89.02320	0.4
91.05386	5.1
93.03304	0.8
103.05363	0.6
109.02824	0.8
117.03307	1.3
119.04894	5.4
121.02836	0.7
121.06460	3.9
128.03377	0.5
130.04111	1.1
131.04878	2.1
133.02832	4.2
133.06439	1.2
134.03627	0.6
135.04393	5.2
139.03882	1.4
141.07069	0.5
143.04889	1.7
143.06950	0.4
145.02844	1.2
145.06474	0.6
146.03587	0.6
147.04393	15.2
149.02341	2.1
151.00264	0.5
159.04425	1.6
161.02299	1.8
161.06032	2.2
167.04982	0.9
169.06468	0.6
171.04408	2.7
172.05162	0.8
173.02333	2.1
174.03127	3.1
175.03912	24.3
176.04199	0.5
179.03464	0.7
183.04364	0.8
187.03964	1.2
188.04657	1.0
189.05510	8.4
193.75060	0.4
195.04443	0.6
197.05952	0.9
199.03932	3.6
201.01817	1.7
211.03911	1.3
212.04636	0.7
215.03372	0.7
217.01593	3.4
217.04988	7.2
217.07037	0.5
219.02940	45.6
220.03271	1.0
227.03407	0.9
237.05684	0.5
239.03540	0.4
239.07057	0.5
240.04294	0.6
241.05090	1.3
243.02959	6.5
245.00899	7.1
258.39774	0.4
261.03931	1.1
267.03214	0.5
268.66507	0.4
273.09058	0.6
285.04053	0.9
291.10370	0.4
301.07437	0.6
303.06729	0.8
317.08200	0.5
319.09793	0.9
329.08173	1.1
347.09232	0.5
391.08444	0.6
401.06586	0.7
419.07773	2.3
445.05823	0.9
463.06744	100.0
464.07037	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0675
Annotation	11-O-Demethylpradinone I
Peak:m/z	Relative Intensity
54.25880	0.2
59.01243	2.5
65.03827	0.3
71.01220	0.7
76.05487	0.2
77.95715	0.9
77.96186	0.5
78.32443	0.2
93.03297	1.1
96.95866	2.4
98.34719	0.2
101.02308	0.5
109.02833	0.6
113.02283	0.4
115.05398	0.3
117.03313	0.3
121.02809	1.4
123.04371	1.7
128.03368	0.6
132.02019	0.6
133.02846	2.4
134.03607	0.3
135.04396	4.5
139.03897	1.9
141.06926	1.0
143.04889	0.7
145.06467	0.6
147.04381	0.9
148.22585	0.5
149.02324	3.7
150.03143	0.2
151.03885	1.5
151.62257	0.2
153.06902	0.5
155.04883	0.3
157.06406	0.5
158.03600	0.4
159.04402	0.9
160.01558	0.9
161.02362	0.5
161.05991	0.4
167.04868	0.8
168.05692	0.4
169.06502	5.2
171.04414	2.7
171.07726	0.4
172.05144	0.8
173.05986	3.3
174.03081	0.8
175.03903	4.4
177.01842	1.0
179.04793	0.3
183.04407	0.8
184.05157	0.6
185.02464	0.3
185.05991	1.4
187.03943	0.7
189.05380	0.4
195.04471	0.7
196.05197	1.5
197.06001	9.2
198.06459	0.3
199.03947	4.6
200.04674	0.8
201.05545	0.7
203.03479	0.6
211.04007	1.3
212.04749	0.7
213.05458	2.5
215.03419	0.4
217.00250	0.3
217.04996	0.6
223.04018	1.3
224.04654	0.3
225.05379	1.2
227.03432	1.2
229.05107	0.5
230.34985	0.3
232.76030	0.3
239.03482	0.5
240.04257	2.6
240.95653	0.7
241.05035	70.1
242.05431	3.1
243.02988	0.5
243.06607	0.4
253.05084	0.4
255.03035	1.3
256.03760	0.9
263.07233	0.3
267.02997	3.8
267.06027	0.4
268.03653	0.8
269.04553	2.3
283.02698	0.3
284.03259	1.9
285.03976	2.1
287.05493	0.6
295.02475	0.8
297.04166	0.3
301.08698	0.5
304.07169	0.4
305.08246	0.5
318.16785	0.3
319.10052	0.4
329.08099	0.5
332.06955	0.4
333.07779	0.3
341.02808	0.3
347.09360	0.8
351.08685	0.8
357.07715	1.4
373.07257	0.6
377.18033	0.5
391.08273	1.5
401.06635	2.8
419.07758	100.0
420.08112	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	9.9
67.29705	1.2
81.56414	1.6
86.13556	1.2
88.29646	1.4
101.07021	1.3
109.02808	14.4
133.01834	2.8
133.02821	45.2
133.03810	2.4
147.04401	3.7
151.03885	3.1
157.02834	1.7
169.06548	3.8
171.04404	3.6
173.05946	3.4
175.03947	14.2
177.01819	2.7
195.04471	2.4
196.05278	1.5
197.05983	13.7
199.03894	7.0
201.02005	1.6
209.06059	3.7
217.00262	6.7
217.04945	2.5
219.02911	5.3
223.03912	2.1
228.42128	1.8
237.05560	2.9
238.67253	1.6
239.07040	7.5
241.05045	41.7
243.03038	2.8
265.05130	13.6
267.03040	5.1
283.06116	20.9
284.03308	6.2
285.04160	2.3
309.04095	5.8
366.91632	1.6
401.06531	3.3
419.07742	100.0
420.08069	5.0
445.05768	2.0
463.06775	53.1
463.25787	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49992	0.5
55.01756	0.7
57.03310	0.9
59.00074	2.0
59.01243	100.0
59.02563	1.0
61.98666	0.5
63.14680	0.5
71.01237	13.0
73.02803	5.2
73.26849	0.6
75.00759	0.7
76.27772	0.6
83.01257	2.4
85.02807	6.2
87.00758	0.8
89.02321	2.1
91.46726	0.6
96.95855	0.6
99.00756	1.6
101.02303	8.6
113.02307	5.4
118.49545	0.5
128.03453	1.9
143.03406	1.0
143.10733	1.8
153.79539	0.6
159.02950	0.7
161.04420	4.9
220.93236	0.7
287.15094	1.1
305.16104	10.0
307.09384	1.1
347.17188	2.5
373.14224	1.8
419.15411	1.0
419.20071	1.0
457.76373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00976	1.9
59.01241	32.5
71.01244	13.4
73.02779	3.8
75.61586	1.3
83.01228	1.9
85.02791	5.1
87.00715	2.5
89.02320	2.0
95.01199	1.7
101.02316	7.3
112.92168	1.5
113.02293	4.4
114.25905	1.6
125.02307	2.1
144.72882	1.3
150.55435	1.5
151.59068	1.8
162.96498	1.3
201.27640	1.6
217.00182	4.3
241.18098	5.0
257.17743	1.8
259.19159	36.5
314.16321	1.8
343.13580	12.3
356.10834	1.6
384.43289	1.5
403.23434	25.7
421.16727	5.0
421.24466	39.3
422.24832	1.9
463.25522	100.0
464.25696	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21494	1.3
59.01240	12.4
61.98693	13.5
69.17238	2.1
71.01237	2.5
83.98811	1.6
84.04401	5.4
85.02779	2.0
89.02320	1.7
100.03915	2.2
100.67899	1.9
101.02320	3.6
102.05476	6.8
105.01790	3.6
106.06492	5.5
123.03135	4.4
128.03406	100.0
130.48697	1.9
134.05988	28.1
136.07578	7.2
138.05495	24.8
146.04442	10.4
152.07082	23.3
154.04921	3.4
172.02429	32.1
175.02258	1.8
175.08659	2.1
177.06602	4.5
180.06496	2.8
196.06073	23.1
201.10277	3.7
202.62262	2.0
203.30118	2.0
219.07722	3.4
219.11433	4.3
245.09309	7.8
262.14584	1.9
263.10364	18.7
281.11301	2.3
289.08362	3.1
307.09348	13.1
325.10422	29.9
335.12521	3.8
420.19644	3.0
446.15744	3.8
464.16763	31.4
465.17163	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05519	0.3
57.38525	0.5
59.01244	3.6
61.98683	1.5
63.34414	0.3
82.02843	0.6
84.04400	5.0
85.02837	0.5
92.04879	0.4
94.02870	0.4
100.03942	0.6
102.05469	10.6
103.04156	0.6
106.06485	14.6
108.08056	1.1
110.02363	0.5
118.06467	2.0
120.04436	0.4
120.08049	1.7
128.03407	50.2
129.01770	0.5
129.03725	0.5
131.06053	0.6
134.05992	61.1
134.10249	0.7
135.06323	0.8
136.03929	0.8
136.07559	6.2
138.05528	2.9
140.81854	0.4
146.00099	0.4
146.04482	14.7
154.05002	1.2
158.09657	0.9
159.05524	5.5
161.07130	0.5
172.02429	1.5
173.07132	1.1
173.10747	1.8
177.06580	3.4
178.05003	27.8
178.11719	0.5
180.06587	1.6
183.23256	0.4
189.06589	0.7
191.08273	0.4
201.10272	10.7
203.08231	1.3
203.11858	1.4
205.09653	0.4
217.09792	0.5
219.07777	0.6
219.11327	2.6
242.64583	0.5
245.09305	19.8
246.09352	0.4
247.10892	1.3
263.10333	4.0
289.08304	15.4
290.08737	0.5
291.09964	2.6
307.09375	100.0
308.09689	2.3
309.10934	2.9
420.19830	0.5
464.16586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27309	0.4
52.99408	0.5
56.07035	0.3
57.03316	0.4
58.02839	2.0
59.01242	14.5
61.98700	0.6
66.03342	0.6
70.02831	4.4
71.01243	1.6
72.04399	6.6
73.02808	2.0
74.00600	1.8
74.02328	100.0
74.03824	1.2
75.02679	0.4
83.01238	2.7
84.04407	3.0
86.02354	0.6
91.72713	1.0
96.04410	1.6
96.95927	0.5
98.02325	6.3
98.05970	1.6
98.16333	0.4
99.00735	8.1
100.03882	1.0
101.02317	1.7
112.03925	2.9
116.00008	1.2
116.03400	99.2
116.15117	0.5
126.05473	3.6
128.03450	0.7
131.31445	0.5
137.97340	0.4
140.03415	17.1
141.12665	0.7
144.15565	0.4
156.69017	0.5
158.04474	0.8
164.50891	0.5
165.12741	8.3
174.07652	0.8
181.58353	0.4
183.13824	24.5
185.11749	59.4
186.12090	1.5
200.05539	1.1
207.13857	3.6
209.11787	0.7
218.06679	8.7
220.57664	0.5
227.12869	7.5
236.07762	0.5
241.14389	0.5
245.13928	87.5
246.14293	2.5
251.12885	11.4
269.14114	1.1
287.14984	9.2
288.15082	0.5
347.17117	4.1
360.20026	0.7
364.74561	0.7
446.20364	3.0
452.63297	0.5
463.94101	0.5
464.21378	45.2
465.21555	2.1
485.18808	0.5
486.20444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62965	1.0
52.99394	1.1
53.06516	0.9
53.66339	1.0
56.09930	1.1
57.16287	0.9
59.01242	23.1
59.04659	0.9
74.02331	7.7
84.03587	1.0
91.72687	1.8
99.00731	2.4
101.02290	1.3
116.03382	8.3
121.33233	1.1
126.05479	3.1
128.03427	4.4
138.81503	1.2
140.03419	4.3
149.56169	1.2
165.12738	2.7
183.13805	25.9
185.11742	69.5
186.12071	1.5
218.06842	1.6
227.12785	5.8
236.07811	1.8
245.03685	1.5
245.13927	100.0
246.14359	3.2
266.59344	1.6
355.97107	2.0
464.21509	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99382	1.4
55.78346	0.3
58.99981	0.3
59.01241	21.8
59.02363	0.4
60.01603	0.3
60.84045	0.3
61.98703	0.4
62.16245	0.5
70.02847	0.5
74.02332	2.4
78.95778	0.6
82.19893	0.3
84.04407	0.6
84.32072	0.3
85.02773	0.5
91.19809	0.4
96.04402	0.4
98.02322	0.4
99.00739	1.0
101.81434	0.4
116.03411	3.3
126.05487	1.0
128.03389	0.5
128.07185	0.4
140.01001	0.4
140.03410	2.2
141.12749	0.8
165.12759	3.9
167.10652	0.5
181.18184	0.4
182.84805	0.4
183.13823	25.0
185.11752	75.9
186.12038	1.7
187.37675	0.5
218.06673	1.2
223.13290	0.5
227.12834	6.7
227.45287	0.6
236.07648	1.2
241.05017	0.6
242.05296	0.7
245.03287	0.9
245.13930	100.0
246.14333	2.0
339.88016	0.5
374.49170	0.4
420.07877	2.1
464.21613	5.3
465.21698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	4.6
61.23126	1.0
71.01247	1.3
71.63767	0.9
72.36366	1.1
76.73067	1.0
80.38608	1.0
91.05395	2.7
96.05437	1.0
119.04884	2.5
119.41355	1.1
121.06457	3.0
128.03409	1.9
131.04890	1.9
133.02876	1.2
134.03712	1.3
135.04388	20.8
145.06479	4.9
147.04437	6.5
149.05949	4.3
158.03607	1.6
159.04393	11.4
161.02338	4.2
171.04446	1.4
171.07970	3.0
172.05225	1.7
173.05975	27.9
175.03911	29.6
176.04442	1.7
177.05528	1.9
187.07545	3.0
191.07065	21.4
191.47343	1.1
197.06033	1.8
197.45190	1.1
199.03952	2.8
200.04750	2.6
201.05521	3.7
203.03467	1.3
215.07092	38.0
216.07373	1.6
217.04997	29.2
219.02972	20.9
227.10796	1.3
235.06088	10.2
238.91071	1.1
241.04977	2.7
243.03023	1.8
245.04457	7.2
259.06122	100.0
260.06427	2.4
261.03955	8.0
274.44928	1.2
285.03922	3.1
303.01968	1.8
303.05121	18.7
311.05493	2.2
338.24448	1.2
421.09332	80.2
422.09717	4.1
422.24820	1.3
465.08084	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10643	1.5
57.03299	3.6
59.01243	100.0
59.02452	2.5
63.61854	2.2
66.87323	1.5
69.03309	1.8
71.01240	20.3
73.02804	26.8
83.01233	8.3
85.02816	4.6
87.00739	6.0
89.02287	11.7
97.06454	6.0
99.00745	2.3
101.02304	21.7
113.02302	8.1
119.03328	5.6
119.78525	2.1
137.09612	9.0
151.00238	3.4
161.04446	6.5
179.05496	3.0
187.11095	3.6
199.14874	10.2
201.12758	3.0
217.15916	48.2
232.17468	2.2
243.14040	4.6
260.14236	10.2
261.12494	2.1
261.14819	9.3
285.04007	2.6
340.99969	2.9
465.21417	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.213
Annotation	Neocaesalpin C
Peak:m/z	Relative Intensity
54.60279	1.3
57.03333	4.5
59.00003	1.8
59.01242	100.0
60.00580	1.2
61.98705	4.5
71.00649	1.6
71.01236	21.2
73.02804	20.6
77.18826	1.5
78.95747	9.2
83.01273	5.5
85.02800	8.2
87.00748	5.2
89.02288	9.3
95.01267	2.6
95.13568	1.5
97.02865	1.7
97.06456	3.5
99.00755	2.4
101.02305	19.6
101.02833	1.7
104.20516	1.5
113.02302	11.4
119.03432	4.3
121.06506	3.8
137.09673	7.3
161.04515	7.8
161.09671	1.7
176.06618	1.5
179.05566	3.1
187.11278	3.7
199.14963	4.4
201.12862	3.1
203.05836	1.6
217.15926	38.0
243.14040	4.7
243.20480	1.7
260.14352	9.2
261.14902	8.2
270.88861	1.7
318.50122	1.7
405.19348	3.8
407.27094	1.8
423.20114	2.8
465.14990	3.9
465.21338	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30465	0.2
57.03311	0.3
57.91027	0.6
58.98732	0.2
59.00068	0.5
59.01244	23.9
64.46916	0.2
67.60168	0.2
70.02827	0.3
70.99683	0.7
71.01241	35.9
71.04877	7.8
72.00777	0.5
72.99168	0.3
73.02803	7.8
73.03201	0.5
77.19595	0.2
81.03324	0.2
83.01243	2.3
83.01694	0.2
85.02804	3.1
87.00737	1.1
88.03474	0.1
88.03899	5.5
89.02302	5.6
89.02841	0.4
95.01250	0.5
97.02813	0.4
99.00729	0.7
99.04369	1.9
101.02304	10.2
113.02309	4.3
113.05927	0.3
114.05484	0.4
116.03390	1.1
116.07043	1.4
119.03384	1.6
120.01144	0.6
124.01537	0.3
125.02335	0.7
126.05447	0.2
126.09125	0.5
128.03383	0.5
128.07051	3.4
129.05457	0.6
130.08627	0.5
131.03362	0.4
140.07109	0.3
143.03389	0.8
144.02904	0.5
146.03526	0.7
146.08116	63.3
146.13304	0.4
147.08481	0.6
159.02861	0.2
161.04459	1.1
170.08125	0.4
174.11290	0.6
188.09210	0.7
200.09210	1.5
218.10327	0.9
249.79836	0.3
263.11450	0.9
265.17877	0.3
290.12473	7.1
308.13528	9.3
308.17084	0.5
350.14597	1.9
362.14597	5.3
380.15649	12.4
381.15936	0.3
404.15677	1.5
422.16721	100.0
423.17059	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69088	0.2
55.00118	0.3
56.69722	0.3
59.01245	1.6
60.77591	0.2
63.96106	0.2
71.01250	0.4
73.24864	0.3
79.22639	0.2
82.34486	0.2
84.61077	0.2
86.02331	0.4
96.95894	0.2
101.02307	1.1
116.94496	0.2
119.97250	0.7
120.01118	100.0
120.04500	1.2
128.03377	0.9
160.29398	0.3
186.49438	0.3
194.22005	0.3
224.62831	0.2
233.82135	0.3
245.85005	0.3
277.11255	0.3
411.27191	0.3
416.28101	0.3
422.17194	0.5
445.27750	0.3
466.17261	2.0
467.18362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72184	0.9
56.54638	1.0
59.01233	5.4
61.98691	2.6
71.01250	1.6
73.02806	2.0
74.02302	1.2
75.86256	1.1
78.91771	1.0
83.01246	2.0
84.04400	3.5
87.86872	1.3
96.95861	3.9
100.03918	2.8
102.05492	9.6
106.06506	4.8
108.04391	3.0
110.05972	2.5
128.03404	47.5
134.05994	32.9
136.07581	4.2
140.07123	1.5
142.05057	1.4
146.04475	10.9
152.07056	31.6
159.05576	2.0
166.95187	1.2
175.12160	1.2
176.35379	1.4
177.06625	6.4
177.10530	1.5
181.62419	1.3
190.88547	1.5
191.11740	1.2
195.07764	2.0
196.06081	27.4
201.06587	3.0
201.10309	4.1
203.12842	4.9
208.00218	1.3
208.71808	1.3
219.11375	5.7
235.61742	1.2
245.09291	7.3
245.13815	1.8
247.83258	1.3
263.10376	19.9
281.11383	2.5
298.64786	1.4
307.09311	15.6
308.21149	1.3
325.10431	100.0
326.10825	3.5
351.14874	2.1
386.00189	1.4
466.18655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.4
61.98712	0.3
62.13954	0.3
71.01236	1.6
73.02795	1.2
75.00710	0.7
78.95756	2.4
79.95589	2.6
83.01221	0.4
88.81650	0.3
89.02286	0.3
96.95868	100.0
96.96863	3.5
96.98441	1.3
101.02316	1.9
113.02309	0.6
114.93280	1.2
125.96363	0.3
128.03395	0.4
129.41054	0.3
145.82549	0.3
157.01059	0.3
161.04462	0.6
217.04492	0.3
218.02196	0.6
219.06223	0.3
351.14581	1.2
369.45013	0.3
381.08780	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55125	0.1
68.57306	0.1
78.95739	0.4
79.95589	7.8
94.97940	7.9
96.95885	0.3
100.76530	0.1
106.97941	2.1
107.69530	0.1
111.49593	0.1
116.98353	0.1
122.97453	0.3
124.00615	0.2
124.95081	1.1
124.99011	100.0
125.02416	1.2
125.99314	0.5
160.01845	0.1
164.72594	0.1
169.87083	0.1
182.00150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95424	1.6
59.01246	2.7
61.98689	2.0
65.19141	1.8
68.60515	2.0
74.06465	1.7
86.02341	11.1
88.50719	2.1
120.01112	10.6
127.05001	2.3
127.08654	11.3
128.03409	100.0
153.06573	5.4
171.07648	40.0
213.03166	2.5
215.06653	3.4
231.04462	5.1
249.05484	68.7
273.67438	2.3
299.78363	2.5
351.14368	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19226	0.1
50.31932	0.1
51.30254	0.1
54.05725	0.1
54.44348	0.1
57.03313	0.4
58.00457	0.2
59.00120	1.7
59.01239	100.0
59.02524	1.5
60.01574	0.3
61.98692	0.1
69.03298	0.4
69.59894	0.1
70.99728	0.2
71.01236	9.9
71.02912	0.2
72.99176	0.4
73.02801	8.0
73.04563	0.1
75.00713	0.3
83.01231	2.3
83.01686	0.2
85.02798	3.3
87.00741	0.3
89.02293	7.8
95.01238	0.8
97.02785	0.1
99.00736	0.2
100.99776	0.2
101.02298	9.7
113.02304	5.7
113.03103	0.3
119.03363	3.1
119.04153	0.2
125.02377	0.2
131.03355	0.7
143.03362	0.8
144.69791	0.1
149.04489	0.7
155.03468	0.2
159.02892	0.1
161.04449	1.6
179.05492	1.3
245.15334	0.1
312.92807	0.2
351.14532	0.8
381.22791	1.0
382.95007	0.1
407.13678	0.1
438.81961	0.1
467.24588	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78642	1.2
54.34046	0.8
57.00488	0.9
59.00026	1.7
59.01243	100.0
61.98661	1.5
62.04751	1.1
71.01244	13.7
72.99164	1.6
73.02817	11.3
81.87742	1.2
83.01237	3.9
85.02814	3.5
89.02284	11.2
101.02292	14.4
101.73843	1.1
112.53936	1.4
113.02311	7.6
119.03368	5.5
128.03423	1.9
130.66054	1.3
131.03409	2.1
139.99432	1.4
143.03407	2.0
149.04457	1.4
161.04488	3.2
179.05475	2.1
220.96014	1.4
262.87646	1.7
316.40414	1.8
351.14426	8.5
379.95453	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.0
60.24619	0.1
71.01238	0.7
78.95758	1.9
79.95592	2.5
82.95273	0.3
85.02779	0.2
88.96879	0.1
96.93151	1.1
96.95869	100.0
96.96862	3.0
96.98228	1.4
99.04327	0.2
104.60234	0.1
108.02042	0.3
109.02818	0.6
114.93285	1.1
116.26975	0.2
121.02826	0.2
122.03599	2.5
123.04389	9.5
137.02324	0.4
165.05505	0.2
192.10156	0.2
203.05559	0.5
210.99144	0.2
259.01401	0.3
263.02429	0.2
327.10849	0.9
341.11121	0.2
363.05069	0.1
363.17126	0.2
383.06775	0.5
425.07581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42410	2.0
57.03309	2.3
58.89404	2.1
59.01241	79.2
71.01241	31.8
73.02803	18.7
77.49156	2.3
81.17535	2.4
83.01252	5.0
85.02367	2.8
85.02798	14.3
89.02288	12.8
96.95860	10.6
99.00708	5.0
101.02312	25.1
112.01521	3.8
113.02308	11.4
113.93836	2.6
119.03370	3.4
128.03394	7.9
161.04427	7.3
203.14407	8.9
318.74545	3.1
383.20978	7.1
409.18723	6.8
422.71359	3.6
427.19534	15.2
469.20822	100.0
470.21246	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53096	8.4
59.01014	8.8
59.01247	100.0
60.26983	7.2
60.44835	8.1
61.98687	62.7
67.09280	7.0
69.98409	7.4
71.01228	39.0
73.02801	57.3
74.19231	7.4
74.24686	7.3
83.01241	22.4
89.02296	8.0
101.02319	57.1
113.02302	25.8
114.75728	8.6
126.62859	8.9
146.84790	9.0
150.34048	10.1
161.04457	26.3
215.71178	10.9
365.19827	23.0
383.20718	20.0
425.21835	68.4
451.53659	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54276	2.9
56.01067	2.8
57.03312	2.7
58.09140	3.0
59.00973	7.0
59.01245	100.0
61.98686	3.9
71.01243	28.8
73.02809	52.1
79.35420	3.5
83.01241	15.8
83.04882	88.6
83.87587	3.2
85.02792	7.4
89.02287	6.7
96.95879	8.6
98.95462	5.6
101.02304	44.0
108.93610	10.9
111.04244	4.1
113.02317	15.2
113.74815	3.3
116.92725	16.9
131.03394	4.1
143.03355	4.5
149.05949	6.4
150.05553	4.6
161.04507	12.4
180.39136	3.9
187.11212	4.9
190.05138	4.2
192.95816	11.3
200.07039	4.9
203.14424	9.8
221.11884	10.8
230.95158	4.2
233.09473	5.0
236.25357	3.9
247.13371	29.8
257.87540	4.8
258.12872	3.9
262.07129	6.9
280.19174	4.0
323.05789	27.3
451.45609	4.4
469.15701	22.3
469.21762	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.5
57.22022	0.4
58.99975	1.8
59.01242	100.0
59.02327	1.4
60.01588	0.5
60.70255	0.3
61.98679	0.5
63.33690	0.4
63.57344	0.5
70.25733	0.4
71.01237	6.1
73.02806	3.0
83.01246	1.4
85.02802	3.1
89.02278	2.1
95.01233	0.5
96.91585	0.4
99.00754	0.8
101.02307	5.5
113.02294	3.5
117.64178	0.4
119.03318	0.5
119.41596	0.4
128.03404	0.8
130.08661	0.7
149.79080	0.4
154.00220	0.4
161.04442	2.8
251.91449	0.5
263.01251	0.4
409.06659	0.8
409.22437	2.7
427.23254	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96601	0.1
54.04493	0.1
59.01244	2.7
61.98701	0.2
62.96265	0.4
64.68192	0.2
70.12421	0.1
74.02119	0.2
78.86971	0.1
78.94088	1.2
78.95760	100.0
78.97700	1.5
83.40705	0.2
87.26874	0.1
96.96819	26.6
96.99391	0.4
109.22195	0.2
132.58020	0.2
166.04980	0.2
184.06149	0.2
187.13345	0.7
240.02744	4.6
257.56390	0.2
282.03854	55.3
283.04211	0.7
342.06091	0.5
356.07071	0.4
390.94962	0.2
470.17984	19.0
471.18259	0.4
493.91330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98351	0.5
53.27993	0.4
59.01218	0.8
61.98692	7.4
71.01238	1.1
78.95737	0.6
79.95589	1.1
84.62927	0.8
84.94968	0.9
95.32893	0.6
96.95866	31.0
96.96807	1.3
97.95782	1.2
98.95448	18.6
98.96279	3.2
98.98549	0.6
99.92434	15.0
100.93215	5.2
113.02232	0.9
115.91936	20.1
116.89510	1.6
116.92720	100.0
116.96342	1.0
117.92718	1.7
122.03590	1.4
123.04391	2.7
126.76237	0.6
128.03386	0.8
141.93518	1.1
142.94325	2.4
156.92302	0.7
168.95863	0.8
184.91759	1.5
186.12491	0.6
222.30168	0.7
226.96269	0.7
228.80400	0.7
238.96426	0.6
242.95818	0.7
244.97636	1.1
319.30914	0.7
331.20956	0.7
349.00397	0.7
367.01306	2.0
385.02325	2.4
409.02393	1.7
427.03360	3.0
435.00586	1.3
453.00845	1.0
471.02341	10.7
472.03104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	100.0
60.74977	2.3
61.98679	6.0
71.01238	10.2
73.02811	10.4
80.64230	2.3
89.02285	3.0
101.02306	8.9
105.46835	2.6
106.04086	7.7
107.04884	5.2
113.02313	4.2
117.11320	2.8
123.67673	2.4
134.87761	2.7
135.11627	2.6
154.23982	2.4
161.09656	13.8
179.10701	40.9
198.11896	3.1
203.10696	4.6
205.08781	2.9
223.09729	9.0
307.18808	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23695	1.1
55.18809	1.1
55.24010	1.3
57.03305	1.3
59.00059	2.1
59.01242	100.0
60.01559	1.4
61.98689	2.3
69.03311	1.4
71.01237	18.4
73.02804	30.8
78.95771	3.4
83.01249	8.2
84.43035	1.2
85.02810	3.0
89.02290	8.1
96.95855	3.5
101.02293	24.2
107.04878	1.4
113.02316	9.3
114.04534	1.6
114.20550	1.6
119.03400	3.6
125.02303	1.8
128.03403	3.7
131.03398	3.2
143.03360	1.9
145.34682	1.5
149.04449	1.8
149.05981	3.3
161.04466	3.8
163.11226	4.1
175.71869	1.7
205.12250	15.2
216.26752	1.5
232.49606	1.5
302.31097	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78328	2.1
57.03302	3.8
59.01243	100.0
61.98677	4.9
70.83707	3.2
71.01237	25.0
73.02794	40.1
74.84396	2.7
78.95757	4.6
83.01236	7.7
89.02292	11.5
99.04352	3.3
101.02292	45.4
102.05467	2.8
113.02299	11.3
119.03361	6.9
123.89606	2.8
125.02324	3.4
128.03339	5.9
142.86099	3.3
149.04472	4.6
153.09091	3.3
161.04433	12.0
165.09109	61.1
170.41805	3.0
205.12280	4.8
217.85292	3.1
223.13417	4.7
225.85788	3.7
292.15482	3.4
320.96280	4.2
367.17880	5.3
427.19781	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75142	0.2
57.03305	0.2
57.32557	0.2
58.00463	0.8
59.00081	1.9
59.01241	100.0
59.02594	0.8
59.28150	0.2
60.01578	0.4
61.64798	0.3
69.03308	1.4
70.99680	0.6
71.01237	31.7
72.99165	1.3
73.01160	1.3
73.02803	76.8
75.00732	0.7
78.95758	1.8
81.03315	0.9
83.01238	15.7
83.02922	0.7
83.04878	37.2
83.07106	0.4
84.05186	0.3
85.02804	4.2
87.00734	0.9
89.02295	10.6
95.01247	0.9
96.95889	0.5
97.02814	1.2
99.00734	0.6
100.99637	0.8
101.02301	56.2
101.57319	0.3
113.02306	14.6
119.03369	4.4
121.06458	5.3
125.02306	2.6
128.03357	0.3
131.03374	5.7
143.03368	5.8
149.04439	8.7
155.03397	1.9
157.65691	0.3
161.04453	14.9
162.58493	0.3
163.11105	0.3
203.05573	1.5
205.12277	4.0
221.06639	4.1
371.24716	0.3
472.19559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66373	0.0
58.99920	1.2
59.01241	100.0
59.02412	1.9
60.01566	0.5
66.93574	0.1
69.03312	0.1
71.01240	1.7
72.99172	0.1
73.02803	3.6
73.04414	0.1
75.00767	0.1
83.01238	1.0
85.02818	0.3
87.00736	0.1
89.02297	0.8
95.01247	0.1
99.00763	0.1
100.99415	0.1
101.02301	3.2
101.25629	0.1
103.38168	0.1
113.02304	1.2
118.96838	0.1
119.03364	0.5
125.02334	0.1
131.03345	0.4
137.47858	0.1
143.03360	0.3
149.04430	0.4
155.03424	0.1
160.65309	0.1
161.04451	0.8
203.05659	0.1
221.06776	0.1
231.13907	0.1
395.56396	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33696	0.3
57.05268	0.3
58.17172	0.3
59.00178	1.3
59.01242	100.0
59.02478	1.7
60.01593	0.5
61.98717	0.3
63.14216	0.3
66.65405	0.3
71.01228	1.7
73.02814	2.9
83.01273	0.5
85.02815	0.6
89.02335	0.9
96.95859	3.3
101.02311	2.1
106.04124	1.2
107.04881	0.4
113.02352	1.2
128.03448	0.5
135.11717	0.7
138.03035	0.3
140.45631	0.3
159.11780	0.4
161.04474	0.5
161.09659	1.8
179.10693	8.7
203.10773	1.0
206.50787	0.4
223.09807	1.3
280.99921	0.4
378.40601	0.5
378.85907	0.4
412.22705	0.4
493.37143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3116
Annotation	Comnostin D
Peak:m/z	Relative Intensity
56.28836	0.8
59.01205	1.1
59.11459	1.0
64.76157	1.3
69.03309	8.5
77.29279	1.1
80.02533	1.4
81.03291	1.3
82.75542	1.1
107.04882	5.7
109.06453	82.3
110.06797	2.1
118.07348	1.0
119.28391	1.0
128.68964	1.5
201.12917	1.4
315.26892	2.8
317.35089	1.2
337.29147	1.7
353.28690	3.3
355.30069	44.1
381.31805	1.7
383.33154	16.8
384.33734	1.8
409.31119	14.6
427.32175	63.9
428.32547	3.6
471.31241	100.0
472.31528	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25288	0.5
59.01004	0.6
59.01244	6.1
61.98683	0.8
74.35682	0.5
77.59633	0.6
78.95755	12.3
90.70194	0.6
93.18539	0.6
96.24808	0.6
99.53460	0.5
103.97477	0.6
112.25244	0.6
127.71852	0.6
140.01028	4.4
152.99442	2.8
167.17297	0.6
177.16405	1.3
196.03734	1.7
214.04802	5.7
231.21136	6.1
231.42365	0.6
236.24968	0.6
242.72047	0.6
275.20184	100.0
275.65366	0.8
276.20407	3.7
330.83499	0.6
419.85849	0.8
472.24686	10.5
493.02213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02853	1.0
58.05120	0.9
59.01245	8.7
71.01245	1.5
73.02809	1.3
74.02328	1.7
76.43882	0.9
76.46273	1.0
78.95745	2.6
79.34473	0.9
82.02840	1.1
84.04398	2.2
84.57416	1.0
86.02328	13.0
101.02299	2.1
102.98462	1.6
120.01124	14.0
127.04958	1.9
127.08648	11.0
128.03407	100.0
153.06555	5.9
171.07658	31.6
179.10751	6.5
179.12190	1.4
182.70996	1.2
197.05652	1.4
215.06668	7.2
215.16190	1.2
221.32483	1.3
223.09743	4.7
231.04469	7.3
249.02869	2.3
249.05495	47.6
344.11783	2.4
355.26907	1.1
473.15970	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	100.0
59.02432	1.5
71.01231	18.1
71.01579	1.1
73.02805	19.8
73.03184	1.0
78.95781	2.1
80.91534	10.4
83.01238	6.0
85.02813	6.5
87.00723	1.3
89.02299	6.0
96.95932	1.2
97.02828	1.0
99.00744	1.6
101.02302	22.7
101.02945	1.2
113.02293	9.8
119.03423	1.8
125.02360	1.5
128.03452	2.2
131.03394	1.2
137.90115	1.2
138.27066	1.2
141.01582	40.2
143.03462	1.2
149.04474	2.0
161.04431	6.1
207.10303	3.9
227.17171	1.2
292.39410	1.4
305.16083	7.2
315.65308	1.1
327.13165	3.1
347.17105	1.8
387.16373	15.2
429.17651	16.2
429.22879	1.3
471.63260	1.2
473.20850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33146	0.5
50.42245	0.4
56.17245	0.5
59.01241	24.0
61.98684	0.5
71.01231	2.0
73.02808	5.6
75.15082	0.5
83.01257	0.9
83.11491	0.6
85.02805	1.0
85.34285	0.5
89.02279	1.1
95.04892	1.6
101.02297	2.2
109.06470	1.3
113.02283	1.2
128.03410	1.1
163.11195	3.8
181.12265	19.7
207.10217	1.1
223.13322	1.8
224.74950	0.7
225.11282	100.0
226.11580	2.0
245.15254	0.6
249.11288	1.4
267.12369	1.4
297.98102	0.7
384.51135	0.7
429.17532	2.8
473.23938	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95193	0.1
59.00063	1.8
59.01242	100.0
59.02541	1.4
59.59249	0.2
60.01582	0.3
67.21654	0.1
71.01247	0.6
71.89993	0.2
73.02795	1.1
83.01266	0.2
89.02325	0.2
97.77573	0.2
98.63604	0.2
101.02284	0.9
113.02334	0.5
118.75552	0.2
126.73093	0.2
128.03511	0.2
143.03395	0.3
149.04498	0.2
171.36951	0.2
189.38901	0.2
320.13843	0.2
414.32825	0.2
473.24829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75560	0.2
59.00129	1.8
59.01242	100.0
59.02523	1.6
60.01575	0.9
61.98696	0.5
63.14486	0.3
63.14951	0.3
63.61754	0.2
71.01235	0.4
85.02795	0.2
89.02306	0.5
93.50222	0.3
96.95878	0.5
101.02312	0.3
128.03404	0.5
203.39995	0.3
218.78644	0.3
391.20291	0.4
406.68979	0.3
414.54910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54693	0.7
59.48767	0.9
61.98692	42.1
73.73988	0.8
77.14213	0.9
82.95281	1.0
88.98666	1.5
96.95889	1.3
119.04888	72.0
128.03430	3.2
162.98296	1.3
163.03902	100.0
205.05008	2.3
211.85384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28321	0.9
51.59257	0.9
53.07582	0.8
53.19744	0.9
59.01246	4.5
59.01514	0.9
61.98695	26.9
65.54501	1.0
70.30013	1.2
73.02785	1.2
74.69872	0.9
82.95277	1.2
91.73329	1.1
93.03329	1.2
116.86713	1.0
119.04897	95.7
120.05172	1.5
122.04772	1.2
128.03436	3.8
135.04425	2.3
163.03906	100.0
164.04271	2.1
169.02751	1.2
242.80554	1.4
295.11435	1.4
309.08887	1.8
367.10437	4.6
493.43018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79455	0.2
56.00674	0.2
59.01233	0.7
63.76164	0.2
70.02839	0.7
71.01243	7.4
71.01637	0.4
71.02338	0.2
71.54183	0.2
72.00404	0.2
72.00762	0.9
72.99172	1.1
78.95750	0.5
82.58552	0.2
88.01495	0.4
88.03896	33.0
89.02292	0.9
89.04179	0.2
91.73376	0.3
95.02356	0.3
96.95855	0.6
101.02343	0.3
113.03445	2.2
114.01105	0.4
114.01836	4.4
115.00235	20.2
128.03426	0.3
131.04504	6.6
131.98425	0.8
132.02901	100.0
132.06793	1.4
133.01302	23.6
133.03316	0.8
135.02858	0.2
180.42136	0.2
301.54373	0.3
322.80475	0.2
327.16727	0.2
341.11026	0.4
344.53821	0.2
372.61728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64101	0.7
59.01235	3.0
61.98689	3.8
64.44937	0.8
65.64308	0.8
75.98141	0.9
78.23105	0.8
78.47070	0.9
84.04398	1.6
85.21347	0.8
87.72049	0.7
96.04452	1.1
96.95840	1.3
99.00901	0.8
99.86752	0.8
100.35339	0.8
102.05470	33.1
108.04385	1.3
122.06012	3.6
124.07552	3.1
128.03407	73.1
130.28494	1.0
132.04427	17.5
133.05190	7.1
134.06021	2.2
135.04408	1.6
146.04480	21.4
146.05756	1.1
148.03915	1.2
150.05481	13.1
160.07613	2.3
163.00314	1.3
165.04250	4.1
171.06793	1.2
176.07112	1.8
184.07486	1.3
186.05573	1.6
186.09160	14.8
187.08740	2.8
198.09212	4.1
212.05803	1.7
213.06718	5.6
214.12410	1.7
215.11893	3.4
225.06667	1.7
226.07417	5.4
227.08264	4.0
228.05463	1.6
229.09804	20.6
239.08270	2.7
239.11958	1.6
240.10599	10.0
241.09801	24.8
241.12112	1.8
252.11261	4.2
253.06149	1.6
253.11722	1.4
254.06943	1.7
255.11374	8.5
257.12933	16.7
265.09879	3.3
267.07608	1.0
268.08682	2.6
272.07990	1.4
283.10886	100.0
284.11301	2.5
299.05743	1.0
301.11960	42.0
302.11932	1.1
326.15305	1.3
327.09915	20.1
345.11035	9.6
386.17194	8.7
412.15100	7.4
430.16190	43.2
431.16229	1.1
456.14169	2.7
474.15176	24.4
474.21375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59774	0.6
53.94537	0.5
55.38256	0.5
57.17995	0.6
59.01242	3.7
71.01231	1.0
73.02818	0.7
74.02331	1.1
74.98923	0.5
78.95746	0.6
80.51306	0.6
83.75872	0.5
84.04410	2.1
85.02792	0.6
90.08846	0.9
91.73309	0.7
95.03666	0.8
96.04435	1.6
96.95870	9.8
96.96788	0.7
102.05464	35.9
106.06501	0.9
107.04881	1.6
108.04388	1.4
122.05981	3.4
123.04375	0.9
124.07524	4.4
128.03404	76.8
132.04428	18.0
133.05206	10.4
134.06003	2.9
135.04398	2.8
143.04517	1.7
146.04472	24.1
148.03922	0.8
149.04770	0.6
150.05496	16.3
159.05479	0.9
160.03886	0.8
160.07465	1.5
163.00238	3.0
165.04233	5.6
171.06815	1.0
172.11235	0.8
174.05597	0.6
176.07054	2.3
177.04297	0.9
182.06073	0.7
184.07544	1.3
186.05505	1.4
186.09167	14.8
187.05035	1.1
187.08638	5.2
193.09784	1.0
198.09238	4.9
199.08739	1.3
209.12767	0.7
211.06331	1.2
212.05838	1.6
212.10808	1.5
213.06665	4.2
213.10136	0.9
214.07198	0.8
214.12337	2.3
215.11842	3.7
225.08060	1.1
226.07446	6.9
227.08298	3.6
228.05316	1.0
229.09781	23.1
230.10168	0.9
239.08191	1.2
239.11754	1.4
240.10547	9.0
241.09793	31.7
252.11169	3.4
253.06302	1.5
253.11908	2.0
254.07114	1.8
255.11398	6.5
257.12943	18.7
265.09790	3.3
267.07513	0.8
268.08646	3.4
272.08359	0.9
282.12524	1.0
283.10889	100.0
284.11075	2.6
299.05573	2.8
301.11926	43.3
302.12180	0.8
306.07748	1.8
324.17017	1.3
326.15103	1.2
327.09879	16.1
345.10934	13.4
359.82861	0.7
386.17279	7.5
412.15082	8.0
430.16199	46.6
431.16644	0.9
456.14050	4.0
474.15170	39.6
475.15439	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71605	0.5
54.29524	0.5
55.44278	1.4
58.02840	4.3
59.01239	3.1
65.53128	0.5
69.03305	0.9
70.02834	2.1
71.01229	1.8
72.04385	0.7
76.40520	0.6
80.04876	1.3
82.02862	0.9
83.01239	1.7
84.04397	7.9
86.05975	0.7
87.05502	6.9
88.03896	20.1
89.02282	3.4
94.02836	0.8
96.04408	1.8
97.03946	1.8
98.02330	2.7
98.05959	4.7
99.00723	2.2
100.03901	10.6
100.50326	0.7
101.02277	1.2
101.07085	0.8
102.05465	27.3
107.87204	0.8
109.01535	0.7
111.00744	0.9
112.03908	3.1
112.07529	1.9
113.07074	3.8
114.05435	1.3
116.07049	4.5
123.05496	0.9
124.03913	21.5
124.04784	1.3
125.02352	0.8
126.05544	0.8
128.03406	97.9
129.03748	0.7
129.10210	17.9
136.03917	2.6
138.05487	0.9
140.03427	2.6
141.06593	5.3
142.04984	10.3
146.04471	18.0
154.04979	1.0
155.08182	1.6
159.07639	2.5
160.01131	0.6
160.06044	7.8
166.05019	0.9
173.09280	3.5
183.11380	0.7
184.06105	1.7
185.09229	1.4
199.07227	0.7
201.12373	1.5
202.07138	9.5
217.08177	0.8
231.72525	0.6
243.09787	0.8
245.11397	5.4
262.55301	0.7
274.09372	6.7
345.13049	81.9
346.13367	2.5
430.18362	4.8
456.16068	0.6
474.17316	100.0
475.17856	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04110	0.4
59.01231	1.4
61.98690	0.4
71.01242	0.5
71.33327	0.3
71.93416	0.4
72.78903	0.4
78.95760	12.6
89.03277	0.5
126.12596	0.4
130.13095	0.4
137.03853	0.4
140.01097	3.4
152.99461	1.4
158.31087	0.5
171.00491	1.0
196.03700	1.3
214.04716	2.7
259.20779	0.6
277.21735	100.0
278.22009	3.3
358.64145	0.5
474.26300	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	6.8
60.61754	3.0
63.64879	3.0
65.32762	3.3
70.72581	3.7
78.95755	39.9
116.94250	3.7
140.01096	8.1
183.62440	4.3
196.03755	15.6
249.16248	4.5
277.21710	100.0
474.26199	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43250	0.3
59.01244	3.6
61.98671	0.4
78.95293	0.6
78.95761	11.0
79.14952	0.3
83.36765	0.3
96.96820	0.4
121.99933	0.3
140.01067	3.2
142.92012	0.4
152.99449	1.7
171.00539	0.7
196.03680	1.3
205.19749	0.5
214.04803	4.2
216.53957	0.4
233.22795	1.2
238.78169	0.3
259.20612	0.6
277.21738	100.0
277.34308	1.0
278.22095	2.8
284.14142	0.4
474.26199	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68571	0.2
56.68668	0.2
59.01244	0.3
71.01241	13.5
72.99165	4.4
81.28636	0.2
87.00739	0.6
88.03912	0.9
89.02288	2.6
89.42403	0.2
114.97053	0.6
115.00238	41.8
115.03768	0.5
116.00581	0.6
132.02907	2.9
132.97339	1.4
133.01306	100.0
134.01637	1.0
141.19002	0.3
155.60855	0.4
233.87416	0.3
255.22411	0.3
347.48923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80733	1.5
58.96865	1.8
59.01245	14.0
59.73129	1.6
61.66374	2.0
61.98689	6.8
63.96106	3.0
70.37109	1.9
71.01250	2.1
71.98985	2.2
72.99764	3.4
73.02785	2.6
74.00557	13.1
78.95757	2.1
79.95617	2.1
82.02842	15.7
82.63393	1.9
83.01237	2.1
84.04380	2.9
86.02333	4.1
88.03922	2.4
88.98663	5.0
89.02306	5.7
96.95869	100.0
96.98444	2.7
100.02145	2.2
107.06020	8.7
114.93267	2.7
119.04905	2.0
125.07062	14.9
127.05043	3.8
127.08656	10.2
128.03407	87.0
132.04425	4.7
141.04817	2.3
145.06007	2.0
151.05031	7.6
163.03996	2.8
164.04243	2.3
167.10727	4.7
169.06088	33.8
171.07660	52.8
173.07106	12.1
185.03819	37.3
203.04897	5.4
211.09683	6.9
229.02853	77.7
230.03281	2.3
230.34329	2.0
247.03967	7.1
264.04291	12.3
294.02933	2.1
346.10477	3.5
351.45084	2.3
457.20804	2.2
475.21768	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
57.75393	1.0
59.01241	100.0
59.02446	2.0
61.98689	4.5
66.74296	1.0
67.53378	1.0
71.01240	19.2
73.02810	10.3
80.91545	7.5
83.01231	5.4
85.02811	9.7
85.47537	1.2
86.02348	1.1
87.00723	1.4
89.02300	3.2
96.95883	2.9
99.00728	3.0
101.00836	1.7
101.02301	19.5
102.05444	1.3
113.02309	8.1
115.03895	2.1
119.03336	1.4
125.02306	1.9
128.03403	4.9
141.01575	70.0
161.04463	5.4
171.07716	1.4
200.24567	1.5
206.77582	1.3
213.37930	1.3
227.11313	2.3
307.17676	14.5
329.14594	9.6
371.17172	3.3
389.17963	31.1
431.19165	29.9
475.21609	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25048	0.3
53.28380	0.4
56.98589	0.3
59.00161	1.7
59.01241	100.0
59.02496	1.8
60.01578	0.7
63.57468	0.4
71.01234	1.0
73.02827	0.9
75.08884	0.4
79.95596	0.7
85.02825	0.6
89.02314	0.5
96.93518	0.3
96.95868	16.6
96.98460	0.4
97.59270	0.3
101.02313	1.1
101.43574	0.4
105.94120	0.4
107.32552	0.3
113.02328	0.7
113.46111	0.3
127.29189	0.4
128.03406	1.7
150.21790	0.4
171.07619	0.5
183.99179	0.9
193.01625	0.4
226.00455	0.5
227.07135	0.4
228.55067	0.4
248.51036	0.4
271.06140	1.0
271.15536	0.4
405.37537	0.4
415.12244	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62478	1.3
58.02842	7.6
59.01231	4.6
60.97542	1.0
61.98680	1.8
64.78692	1.1
71.01272	1.2
74.02330	17.6
74.80701	1.1
82.02856	1.6
86.02327	5.8
86.98953	1.2
87.05504	3.3
88.25574	1.3
90.00072	2.4
96.95886	4.6
97.03955	1.4
99.05503	14.9
101.07072	2.8
109.03958	1.4
112.03938	2.1
112.28838	1.2
123.05530	1.6
125.03569	2.0
125.09615	3.6
127.05023	2.9
128.03403	38.3
129.99590	1.4
135.05498	3.7
136.04768	1.3
141.06563	3.9
143.04506	60.1
145.06096	2.4
146.04477	3.9
153.06602	3.7
160.00638	16.9
163.39505	1.3
166.09781	2.8
167.04581	3.9
169.08626	2.1
177.03351	3.8
177.95345	1.4
179.04546	11.0
181.06120	2.3
197.05638	1.7
204.31522	1.6
210.08795	7.8
254.07867	17.2
267.78482	1.4
272.08884	33.0
288.06696	6.5
306.07675	100.0
379.88876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2782
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
57.02290	0.2
59.01227	0.6
64.02718	0.3
75.99376	0.2
78.95759	38.0
78.97657	0.6
81.08575	0.3
89.56310	0.7
89.56842	0.5
92.86165	0.3
96.96813	3.2
106.73092	0.3
115.27650	0.3
121.99954	0.3
123.03207	0.3
128.91289	0.3
140.01071	2.0
152.99474	6.6
155.00380	0.3
160.20480	0.3
171.00525	6.5
180.27176	0.3
182.36250	0.3
194.72630	0.3
196.03714	1.3
204.47090	0.3
214.04811	3.4
222.82207	0.4
279.23291	100.0
280.23645	4.1
319.98395	0.3
356.40338	0.3
360.11115	0.9
368.79025	0.3
402.24170	0.8
476.27826	30.6
477.28018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96307	0.9
60.13286	1.0
61.98685	1.1
62.69913	0.8
65.04729	0.9
65.60879	0.9
65.96556	0.9
67.09795	1.1
76.02644	1.2
78.95761	19.6
84.26258	1.1
99.91113	1.0
104.74390	1.0
118.48801	1.0
120.62661	1.1
140.01086	5.9
180.41396	1.2
196.03764	11.3
209.72928	1.2
214.04880	2.2
279.23300	100.0
280.23776	2.4
358.30447	1.3
385.07010	1.5
385.78601	1.2
476.27869	24.2
477.27585	1.7
500.05994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97886	0.1
55.42520	0.2
59.00972	0.3
59.01243	3.7
64.59641	0.1
70.32183	0.2
71.01241	1.6
71.94424	0.2
72.99162	2.6
74.70470	0.2
74.98989	0.5
75.00731	31.9
87.00729	0.4
89.02301	5.9
96.95863	0.7
99.00760	0.2
113.02201	0.2
115.00241	0.6
117.01802	2.0
119.03352	0.3
132.02910	0.2
133.01300	1.0
134.01624	0.2
134.98622	1.1
135.02870	100.0
136.03214	0.9
179.05582	0.2
251.20409	0.2
269.97668	0.2
293.24118	0.2
304.56696	0.2
311.06931	0.2
341.10892	0.8
438.70660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2706
Annotation	Terragine D
Peak:m/z	Relative Intensity
50.95716	0.7
57.03312	0.9
59.01242	20.6
60.53619	0.7
61.68867	0.7
66.63442	0.7
71.01234	10.3
71.04867	0.9
73.02808	3.8
83.01252	1.5
84.76677	0.8
85.02804	4.3
87.00715	3.1
89.02303	1.8
98.52276	0.8
101.02302	5.3
111.00751	0.8
113.02302	2.5
124.01664	0.8
155.14267	1.3
167.14230	0.9
169.74037	0.8
195.07710	0.8
255.19704	5.2
273.20728	29.9
370.80829	0.9
417.24966	13.1
435.26013	35.5
477.27084	100.0
478.27377	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99919	0.2
52.78225	0.3
57.38555	0.4
58.01172	0.3
59.01245	1.7
60.85555	0.3
61.98690	0.8
66.03356	0.4
68.36771	0.3
84.03902	0.4
84.04402	6.3
85.02831	0.4
87.16036	0.3
94.06476	0.6
96.95850	1.1
97.01539	3.4
98.02356	0.4
98.05969	0.8
98.71319	0.3
101.02250	0.4
102.05469	6.6
106.03609	0.4
106.06483	18.7
107.06798	0.4
108.04393	0.7
110.02339	20.8
111.02734	0.3
118.06492	0.4
124.03905	2.7
125.01054	0.5
126.05482	7.8
128.03407	39.8
129.01807	0.4
129.03787	0.4
131.06029	0.6
134.01898	0.9
134.05989	75.7
135.06346	1.0
136.07646	0.3
142.26175	0.3
146.04475	6.2
153.96344	0.4
154.01346	26.1
155.01750	0.4
158.09662	1.2
159.05528	7.0
168.02893	0.8
169.03705	23.0
170.04488	6.4
171.09200	0.5
172.02414	2.5
173.07088	1.7
173.10774	2.1
177.06606	4.8
177.98824	0.4
178.05005	34.7
179.05441	0.6
189.06624	0.6
191.08133	0.4
199.05046	0.6
200.10736	0.8
201.10255	14.1
202.10541	0.4
203.08223	1.5
217.09819	0.7
219.11339	2.4
225.10344	0.5
227.08189	0.8
238.91696	0.3
243.11394	2.3
245.09296	25.1
263.10379	5.8
269.09448	0.4
287.10193	0.5
289.08313	21.5
290.08545	0.6
299.05685	0.4
307.09369	100.0
308.09735	3.1
315.64780	0.3
398.13327	0.4
416.14615	1.3
434.15536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09326	1.0
55.01751	10.3
57.03317	1.1
57.23541	1.3
58.02565	1.7
58.02842	31.7
59.01242	74.3
59.02361	1.4
67.03953	1.2
69.03308	9.1
71.01248	13.2
73.02803	72.4
75.00739	1.7
77.74580	1.2
83.01241	78.5
84.67422	1.4
85.02821	1.5
89.02296	1.4
99.00734	1.8
99.04356	1.9
100.03891	13.1
101.02304	45.9
105.01804	2.8
113.02304	23.2
125.02283	2.0
131.03391	5.6
134.39969	1.6
135.55045	1.5
140.03438	13.9
141.96054	1.4
142.00159	1.7
142.04980	89.4
143.03365	3.1
197.15448	3.0
199.13106	1.5
202.07214	6.7
204.92957	1.4
215.16484	100.0
216.16727	2.0
217.00380	2.0
239.16452	2.7
257.17612	27.3
287.18671	6.6
298.20352	2.8
305.18585	1.7
317.19772	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97829	0.2
54.96593	0.2
56.39635	0.3
64.73782	0.2
66.94587	0.2
78.95759	13.1
78.97620	0.3
90.09397	0.2
96.96809	0.7
121.99893	0.3
126.73399	0.2
140.01071	1.6
152.99500	2.2
171.00516	1.7
196.03720	1.1
214.04774	3.1
227.17538	0.2
281.24860	100.0
282.25183	2.5
478.29398	14.6
479.29663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2941
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.56103	0.7
61.98689	1.5
78.93890	1.0
78.95759	40.3
78.97351	0.7
83.98383	0.7
91.73336	1.2
96.96789	1.4
140.01004	5.1
142.13879	0.9
143.36110	0.8
150.96466	0.8
152.99477	4.9
171.00562	5.6
185.82153	0.9
191.18260	0.7
196.03717	8.2
196.62666	0.8
214.04762	2.2
218.31415	1.0
238.29536	0.9
281.24863	100.0
282.25250	2.9
351.29529	0.9
443.65567	0.9
478.29425	37.5
479.30426	1.3
494.14713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49321	0.9
58.00453	0.9
58.99965	0.9
59.01244	80.1
59.02402	1.7
61.98691	2.0
69.03315	1.3
71.01244	25.8
71.04874	1.4
72.99183	1.2
73.02807	61.2
75.51981	1.0
80.98199	1.2
83.01241	14.7
85.00564	1.2
85.02807	100.0
85.04811	1.6
89.02290	9.3
96.59824	1.0
96.95857	1.5
97.02823	1.4
99.00757	4.3
101.02303	53.0
103.03867	9.9
113.02305	14.3
119.03375	5.5
125.02304	1.9
131.03357	5.5
135.14716	1.2
143.03386	5.6
149.04453	12.5
155.03326	2.6
161.04460	22.0
163.11229	1.7
171.06561	12.7
181.12312	3.5
183.10114	2.0
199.13359	3.0
203.05548	1.8
207.10229	7.3
221.06613	9.1
225.11311	12.0
243.12386	10.3
253.09378	1.7
307.10358	36.4
338.19803	1.2
383.66949	1.3
391.19913	1.6
393.14081	3.8
479.21286	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99061	0.3
55.01752	0.5
57.03300	0.6
58.00472	0.5
58.15026	0.4
59.00061	2.1
59.01241	100.0
59.02561	1.0
69.03316	0.5
71.01234	9.3
71.01591	0.7
72.15095	0.4
73.02809	4.2
73.61721	0.5
80.42361	0.4
83.01226	2.3
85.02795	7.1
85.99957	0.5
87.00754	0.9
89.02297	0.9
95.01226	0.9
96.95866	0.6
99.00745	1.8
101.02304	11.1
105.97054	0.4
113.02297	4.8
147.84846	2.6
150.46936	0.5
161.04456	1.9
194.67198	0.5
240.55803	0.4
256.70395	0.4
315.18021	0.6
333.19104	3.7
357.19125	1.2
375.20114	4.0
393.21283	5.4
417.21356	5.8
435.22366	98.8
436.22583	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26658	0.8
50.28713	0.9
52.09709	1.0
52.29934	1.0
55.01711	1.0
57.03305	0.9
59.01243	82.0
59.02431	1.5
62.34758	0.9
69.03292	1.5
71.00877	1.4
71.01242	26.5
71.04874	1.3
73.02805	51.3
73.04425	1.2
74.25306	0.9
74.75271	0.9
83.01244	12.4
83.04863	1.0
84.94952	1.4
85.02806	100.0
85.04841	1.5
87.00722	2.5
89.02290	10.0
95.01270	1.2
96.95866	1.7
97.02798	3.1
99.00742	11.6
101.02303	53.4
103.03864	7.9
113.01564	1.4
113.02309	21.6
118.33811	1.2
119.03388	5.3
123.07985	1.3
125.02288	2.4
125.09599	2.8
128.03372	1.4
129.33636	1.1
131.03355	5.7
132.82564	1.2
143.03380	5.2
149.04466	12.0
161.04445	21.1
163.11148	4.9
171.06538	11.2
181.12239	9.6
199.13307	10.3
203.05542	2.1
207.10226	20.2
221.06642	8.2
225.11310	33.7
243.12375	23.4
307.10376	35.8
308.10498	1.2
377.78586	1.3
393.14117	5.5
397.14340	1.3
474.29871	1.3
479.21353	71.5
480.21204	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11011	0.3
50.46645	0.3
64.19612	0.3
66.86827	0.3
74.45039	0.4
78.95760	20.5
85.37982	0.6
85.38431	0.5
96.96799	0.5
106.16010	0.4
111.01856	0.8
112.15732	0.4
152.99461	2.8
158.92331	0.6
168.04231	3.1
192.56879	0.4
209.19354	0.4
224.06885	7.7
227.94415	0.4
242.08003	1.6
255.23289	100.0
256.23590	2.8
279.63766	0.4
281.24838	1.7
282.25156	2.6
283.25470	3.5
400.86554	0.6
479.64600	0.5
480.30948	23.2
481.31372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10702	0.3
59.01241	0.7
61.97336	1.5
61.98693	100.0
61.99870	1.4
66.87491	0.3
71.86462	0.3
84.47485	0.3
133.02852	0.7
142.04984	0.4
177.01863	0.5
181.14742	0.3
204.34386	0.3
229.60191	0.3
303.12512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29087	0.2
57.82191	0.2
61.97436	2.0
61.98694	100.0
62.00149	0.8
66.87793	0.3
75.70268	0.2
84.50840	0.2
91.72910	0.8
176.56003	0.3
332.17862	0.3
482.25763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	10.3
58.02839	22.1
59.01251	46.7
71.01252	8.5
73.02802	44.0
83.01241	53.9
87.40560	6.3
93.87473	5.6
94.16897	5.5
97.12982	4.9
99.04334	6.0
100.03893	45.7
101.02300	51.1
110.36884	5.2
111.65380	5.6
113.02306	9.8
140.03375	11.0
142.04979	100.0
161.04446	10.0
189.24196	6.0
202.07220	25.6
232.72200	6.0
243.19720	81.8
285.20798	25.9
482.25305	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99910	4.8
58.02834	10.1
59.01244	46.8
71.19870	5.3
72.63198	5.3
73.02805	47.6
73.76393	4.1
74.25921	5.3
76.02643	4.6
77.24474	5.9
83.01242	71.1
91.72746	10.1
100.03922	10.2
101.02273	32.2
113.02342	12.8
140.03423	9.2
142.04967	65.3
147.42665	6.3
184.70665	7.5
205.79816	5.8
231.17651	6.9
243.19633	100.0
243.21989	11.2
285.20673	39.4
429.43677	7.0
482.25403	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44452	0.2
59.01239	0.4
62.70331	0.2
68.35618	0.2
69.96955	0.2
72.03711	0.2
78.95773	0.6
79.95593	2.7
91.73370	0.2
93.03316	3.9
96.93510	1.4
96.95869	100.0
96.98594	1.2
98.89205	0.2
114.93269	0.7
121.81046	0.2
123.04412	0.3
137.02315	7.4
138.67497	0.2
168.53661	0.2
179.93141	0.2
199.13486	0.2
210.99139	0.3
212.77132	0.2
253.00360	0.3
397.04483	0.5
490.46097	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.9
68.55276	0.3
71.01247	0.3
71.16170	0.2
77.30602	0.3
77.95683	0.2
78.47507	0.3
78.95754	1.0
79.95582	2.3
84.94974	0.4
85.02805	0.3
96.93409	1.6
96.95870	100.0
96.98667	0.8
114.93275	1.1
119.04900	1.0
137.05966	9.3
235.02954	0.4
259.01300	0.5
261.00864	1.2
341.12384	0.5
483.13065	0.3
494.31686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72537	1.0
57.52934	1.2
57.54849	1.1
59.01239	4.1
62.84491	1.0
70.06901	1.1
71.01234	1.7
73.62482	1.2
78.95763	1.2
79.95586	1.5
96.95869	100.0
99.00729	1.3
101.02319	2.0
112.74698	1.2
119.04888	6.1
135.35840	1.4
136.20058	1.3
163.03944	4.2
216.09203	1.4
219.70959	1.6
281.10327	2.1
379.07108	2.7
397.08319	4.1
483.20868	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	2.7
61.98682	0.9
71.01233	0.8
81.03313	17.9
83.02689	1.2
83.04876	78.1
83.06828	1.3
86.02324	1.8
89.55818	0.7
92.04910	40.6
92.07224	0.9
93.05228	0.7
93.36857	0.6
96.95861	1.0
99.59035	0.7
101.02278	0.8
101.05920	0.7
117.22871	0.7
118.02844	15.9
127.03896	3.6
145.04897	3.0
157.03966	1.6
160.03883	4.4
161.03357	1.1
162.01880	4.8
173.03438	0.7
175.05037	24.3
183.24806	0.9
187.05040	28.3
188.05402	0.8
201.03027	5.6
203.04485	1.3
205.06125	4.3
219.04070	29.3
231.03947	0.9
233.10262	19.7
249.05150	100.0
250.05426	1.3
263.02441	0.8
450.64426	1.0
465.13818	1.5
483.15613	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	52.6
83.40881	4.9
83.41357	5.8
86.02338	19.5
103.59161	5.4
120.01231	6.2
127.08643	8.7
128.03406	77.4
128.64459	5.1
171.07639	49.2
215.06760	16.7
220.14688	12.4
221.15414	100.0
249.05484	8.5
354.17438	6.1
455.83942	6.7
483.21756	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35376	0.3
58.02856	0.4
58.70005	0.2
59.01244	1.8
61.98716	0.2
74.00545	0.4
74.02334	1.3
74.97206	1.6
74.98955	100.0
75.00453	1.0
75.99266	0.6
76.22889	0.3
81.05101	0.3
82.02847	1.0
83.61090	0.3
83.86174	0.3
84.04391	1.3
86.02328	3.0
88.03918	0.9
96.04391	0.4
96.95878	0.3
102.05480	0.5
102.36777	0.3
109.07578	0.5
120.01134	1.1
123.26926	0.3
127.05004	1.4
127.08646	7.7
127.09589	0.5
128.03407	31.9
129.03717	0.3
153.06609	0.8
154.33418	0.3
169.06082	0.6
171.07660	53.0
172.08023	0.4
203.04910	0.5
205.16046	0.4
215.06743	2.0
218.99808	0.3
233.15492	0.6
267.14346	1.5
324.66647	0.3
332.17401	0.3
353.23288	0.4
354.23431	0.4
389.09897	0.3
450.46585	0.3
483.21628	2.0
483.27921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53475	1.1
55.40699	1.1
57.73481	1.1
59.01240	2.2
61.98442	1.3
61.98697	13.4
72.85732	1.4
84.04386	3.9
86.02319	10.0
96.95848	1.2
110.33255	1.2
120.01099	11.8
127.04954	3.2
127.08634	12.1
128.03401	100.0
153.06563	5.4
164.39360	1.3
171.07655	42.2
209.94209	1.3
215.06654	3.5
231.04460	8.0
249.05496	67.6
260.82190	1.2
267.95499	1.4
452.27670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2238
Annotation	Didrovaltrate acetoxy hydrin
Peak:m/z	Relative Intensity
51.02377	0.4
51.68813	0.4
58.00461	0.4
59.00114	1.7
59.01243	100.0
59.02539	1.3
61.98705	0.4
63.57137	0.5
68.50152	0.4
71.01241	15.3
72.99155	0.7
73.02803	7.4
83.01234	2.3
85.02808	5.3
87.00745	1.1
87.38960	0.4
89.02297	13.8
89.62774	0.5
95.01255	1.0
96.95841	0.4
99.00744	0.9
101.02308	13.3
113.02303	7.7
119.03362	4.7
125.99737	0.4
131.03394	1.0
136.71817	0.4
139.44189	1.1
143.03400	1.2
157.34343	0.5
161.04456	3.8
179.05542	1.6
202.71031	0.5
289.77689	0.5
308.88950	0.6
397.22372	8.5
431.04977	0.6
439.23340	1.1
441.21497	1.0
483.22403	40.2
484.22385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
68.38869	0.4
78.95760	18.4
83.17416	0.5
85.60108	1.0
85.60606	1.0
89.67796	0.5
91.61973	0.4
96.96805	1.8
124.23161	0.5
150.98039	0.5
152.99478	28.4
157.42877	0.7
171.00505	1.8
175.68759	0.5
201.18405	0.5
201.91061	0.5
218.27316	0.5
221.14780	0.5
227.03253	3.6
245.04160	1.1
255.23291	100.0
256.23682	1.8
325.18430	0.5
389.50919	0.5
391.22778	0.5
400.86713	0.7
409.23276	0.6
483.27313	51.4
484.27612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.273
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
54.19727	0.3
59.01212	0.5
75.10450	0.3
78.95756	7.4
83.09296	0.4
85.60150	0.6
85.60590	0.5
86.89668	0.3
96.96796	0.7
141.01535	0.5
152.99471	13.6
171.00525	1.0
183.01115	1.0
206.62650	0.4
224.88184	0.4
227.03239	2.8
237.22224	0.5
243.32922	0.4
245.04349	1.3
255.12383	0.9
255.23289	100.0
256.23569	2.0
257.75229	0.4
319.55148	0.4
325.18420	2.0
483.27310	26.4
484.28003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08100	0.2
62.69839	0.2
78.95761	7.3
85.60152	0.2
96.96810	0.5
108.16150	0.2
117.24786	0.2
152.99477	15.3
171.00549	1.2
227.03267	2.8
237.22211	0.2
240.49316	0.2
245.04295	1.3
255.12953	0.9
255.23294	100.0
256.23648	2.7
259.36169	0.2
284.69919	0.2
325.18387	0.2
483.27307	27.0
484.27991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	73.6
61.98694	3.2
63.45550	2.0
64.68473	2.1
65.43828	2.2
71.01239	66.9
72.99160	4.5
73.02789	2.1
73.40412	2.7
75.00756	2.4
80.56568	2.4
85.02806	4.0
89.02296	100.0
91.72775	4.8
101.02306	18.3
113.02337	16.2
119.03360	8.1
129.61734	2.3
143.03456	5.7
161.04538	6.0
179.05518	17.6
180.53326	2.7
193.79391	2.5
216.38860	2.6
236.36710	2.7
265.16086	2.9
303.23288	34.5
341.11011	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67130	19.4
59.01234	82.9
65.80426	17.1
70.02847	23.0
73.02814	30.2
78.48357	18.9
78.95755	20.8
95.34736	18.2
99.00721	28.8
101.02313	26.0
103.54126	17.3
112.03934	19.0
140.03447	98.7
141.29390	23.4
191.09726	23.9
215.16505	100.0
274.51746	26.4
331.42764	24.6
339.59030	26.7
354.96588	22.3
473.44302	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19025	0.1
55.49292	0.1
55.57992	0.1
59.01238	0.4
59.05518	0.1
64.20864	0.1
71.01250	0.5
73.02790	0.2
75.00738	0.3
89.02309	0.2
91.05386	0.1
91.72728	0.2
93.03300	0.5
101.77200	0.1
117.01091	0.1
117.01817	0.4
117.03357	0.3
119.01312	1.2
119.04890	100.0
120.05227	1.4
121.02822	0.1
133.06439	0.2
135.02872	1.4
145.02888	0.1
147.04417	0.1
161.06006	0.2
162.98166	0.9
163.03903	91.4
164.04240	1.9
176.04686	0.1
178.27170	0.1
198.20163	0.1
205.04968	0.4
265.74835	0.1
281.06659	0.4
289.88522	0.1
307.08328	0.2
367.10376	5.3
368.10614	0.3
399.02554	0.1
485.13031	6.8
486.13510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.5
64.53061	0.2
71.01236	1.1
72.99158	0.8
73.01079	0.2
73.02802	5.8
75.00734	0.6
87.00731	7.2
89.02293	0.2
93.03313	1.6
96.95874	0.3
116.98332	0.2
117.01803	14.3
117.03217	1.7
119.01234	1.0
119.04890	92.5
119.08070	1.1
120.05209	1.3
134.54898	0.2
135.02863	2.8
145.02831	9.3
161.05901	0.3
162.98033	0.9
163.03903	100.0
164.04253	1.3
173.93332	0.3
199.18451	0.2
205.05049	0.5
219.06606	1.0
221.04559	0.4
235.41615	0.3
237.07709	0.9
250.31143	0.3
263.05612	0.8
281.06573	0.5
307.08215	0.3
367.10345	9.4
368.10693	0.3
387.38705	0.2
421.97437	0.3
425.10727	0.6
485.13013	15.5
486.13519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67250	0.1
59.00997	0.2
59.01247	1.6
71.01249	0.3
73.02806	0.6
83.25566	0.2
83.52367	0.2
87.00734	0.5
89.02319	0.2
93.03314	0.5
96.95888	0.8
98.95401	0.2
99.92410	0.2
101.02331	0.2
109.52691	0.2
116.92731	0.7
117.01788	0.8
117.03333	0.2
119.04893	99.2
119.08226	1.3
120.05231	1.3
128.03424	0.3
133.06471	0.2
135.02925	0.2
145.02818	0.4
147.04370	0.4
159.32574	0.2
161.06010	0.2
163.03908	100.0
163.09489	1.0
164.04263	1.3
176.04829	0.2
205.04965	0.8
263.05597	0.3
290.11856	0.2
307.08255	3.0
367.10358	8.6
368.10876	0.2
374.88583	0.2
485.12936	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15326	0.7
55.01743	0.7
59.01241	77.9
59.02440	1.6
69.03300	1.5
70.58534	0.6
71.01240	26.5
72.99152	1.6
73.00951	0.8
73.01302	1.1
73.02802	71.0
73.04459	1.4
74.98792	0.6
76.99578	0.7
81.03318	0.9
83.01239	15.8
85.02795	3.4
85.22382	0.7
87.00714	0.8
89.02298	10.3
97.02779	1.1
99.00730	1.5
101.02303	53.9
101.04974	1.0
106.30569	0.6
113.02305	13.9
119.03383	5.3
125.02316	1.8
128.03363	1.3
131.03354	4.8
143.03372	3.8
146.68187	1.7
149.04440	4.7
152.65813	0.7
155.03442	0.8
161.04425	11.9
185.04626	0.9
189.12766	2.5
203.05605	1.2
207.55626	1.8
219.13853	2.4
221.06619	2.6
381.19159	8.1
399.20264	4.8
441.21317	100.0
442.21738	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11736	0.2
59.01242	8.6
61.81712	0.3
62.78123	0.3
69.20274	0.2
71.01237	4.0
73.02796	1.0
81.03333	0.3
83.01234	0.6
83.04842	0.5
85.02783	1.2
87.00730	0.7
89.02298	4.2
99.00704	0.3
101.02299	4.4
113.02282	1.9
119.03364	1.6
123.28767	0.3
157.04872	0.4
161.04477	1.6
177.16455	0.3
179.05518	0.9
205.19516	0.8
227.61214	0.4
231.17580	0.7
235.08151	0.9
249.18591	100.0
249.28952	1.0
250.18973	3.9
253.09285	14.5
316.21725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56157	0.1
62.94997	0.2
62.96272	8.8
62.97655	0.1
64.32890	0.1
71.40467	0.1
78.95760	3.7
82.71315	0.1
94.87613	0.1
123.40269	0.1
125.86701	0.1
203.76837	0.1
280.12344	3.1
312.11316	0.4
336.33957	0.1
349.21701	0.4
405.27878	0.2
406.28494	0.1
413.18854	0.6
421.31155	2.6
427.20303	0.2
428.21246	0.4
429.21988	0.3
453.21930	0.2
455.23608	0.8
469.25159	12.1
470.25623	1.1
485.28296	100.0
486.28653	5.1
502.24915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33474	0.3
58.72824	0.3
59.01239	3.2
61.98686	0.7
62.17739	0.3
66.61620	0.3
66.94299	0.4
67.06210	0.3
67.38556	0.3
70.80824	0.3
73.02804	0.3
78.59058	0.3
78.93856	1.7
78.95759	100.0
78.97381	1.0
91.72654	0.6
96.95863	0.7
96.96819	25.0
117.03284	0.4
119.04894	23.6
120.05227	9.4
128.03410	0.7
130.75984	0.3
145.02850	0.6
163.03909	13.3
164.04248	8.2
203.12874	0.7
213.27638	0.3
221.52979	0.5
229.70503	0.3
240.02794	3.5
247.15488	0.8
282.03851	51.1
283.04193	0.8
342.06033	0.5
356.06885	0.9
367.10452	1.5
368.10672	4.2
415.92734	0.4
486.17496	27.7
487.17612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1747
Annotation	spiruchostatin B
Peak:m/z	Relative Intensity
50.68145	0.2
57.14893	0.2
59.01244	3.3
61.98710	0.4
62.96265	0.3
67.05985	0.2
71.01256	0.3
75.00721	0.6
78.93830	1.4
78.95761	100.0
78.97420	1.2
96.95927	1.4
96.96820	27.6
98.95450	0.5
101.02314	0.3
115.91938	0.4
116.91968	0.4
116.92719	2.1
117.01781	0.3
117.92737	1.3
118.92583	0.2
119.04892	15.6
120.05235	7.2
128.03409	0.8
143.10631	0.3
145.02826	0.3
163.03911	10.9
164.04247	6.3
166.05075	0.3
184.91687	0.2
203.12828	0.4
221.52945	0.6
240.02776	4.4
262.17801	0.4
266.98410	0.3
278.52740	0.3
278.55975	0.3
282.03860	57.8
283.04239	1.0
283.09729	0.3
307.08221	0.3
308.08609	1.1
342.05914	0.7
356.07135	0.6
367.10287	0.5
368.10843	1.5
486.17557	29.2
487.17615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31113	0.2
59.01230	0.7
60.26234	0.1
71.01244	0.5
74.36612	0.1
75.62211	0.1
89.02296	0.4
91.05384	0.2
93.03318	0.7
96.95869	10.1
98.77418	0.2
98.95428	0.3
101.02301	0.5
117.03336	0.2
119.01421	1.4
119.04891	100.0
120.05219	2.2
128.03413	0.5
131.03288	0.2
162.98346	0.7
163.03905	71.5
164.04234	1.4
172.61902	0.2
255.80978	0.2
344.32019	0.2
452.14035	0.2
487.14615	19.9
488.14990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02836	0.7
59.00970	0.2
59.01242	2.7
67.02875	0.2
69.16907	0.2
70.02840	0.2
71.01235	1.7
72.00752	0.5
72.99147	0.5
73.02809	0.2
74.02322	1.7
74.72803	0.1
78.95763	0.2
82.02833	0.6
82.82734	0.2
84.03896	0.2
84.04405	3.3
85.02803	0.3
86.02334	0.5
87.00721	0.2
89.02299	2.8
90.75827	0.2
91.69820	0.2
96.95876	2.7
97.03925	0.7
98.02328	0.5
99.00702	0.2
99.05496	0.6
101.02292	1.2
101.07063	2.8
102.05466	4.1
103.38764	0.1
105.07115	0.2
107.02380	0.2
109.03937	6.6
113.02287	0.9
119.03352	1.1
125.03440	3.0
127.05006	17.9
128.03409	9.9
131.03430	0.2
138.33238	0.2
141.01840	0.2
143.03391	0.4
145.01579	1.2
145.06073	100.0
145.09760	2.2
145.99844	0.2
146.04475	12.0
146.06401	0.9
151.04349	0.2
161.04430	0.5
179.05521	1.7
212.01770	0.2
222.02065	0.2
327.08643	0.2
341.10892	7.0
389.13120	0.2
407.13788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76708	0.2
53.42253	0.2
57.20782	0.3
58.02829	0.3
59.01245	2.1
63.82314	0.2
67.02853	0.3
71.01247	1.6
72.00785	0.3
72.99164	0.3
74.02338	1.9
82.02838	0.9
84.04406	3.3
85.02800	0.3
86.02330	0.6
87.44998	0.2
89.02303	2.1
97.03936	0.7
98.02335	0.7
99.05490	0.5
101.02328	1.2
101.07093	1.8
102.05466	9.2
107.02354	0.4
109.03941	7.3
113.02313	0.4
113.67438	0.3
115.00228	0.3
119.03372	0.8
125.03436	3.1
127.05010	19.6
127.99552	0.3
128.03412	13.2
133.01297	0.6
143.03436	0.3
144.08420	0.3
145.01439	2.9
145.06076	100.0
146.04477	24.1
146.06418	1.1
157.21123	0.2
161.04474	0.6
162.22813	0.2
171.53175	0.3
175.02495	0.3
179.05548	1.1
198.90627	0.3
277.51907	0.3
278.19980	0.3
341.10886	4.7
487.17270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	74.7
61.98696	7.1
71.01257	7.2
74.02335	22.3
75.36212	4.4
79.39162	4.3
102.05512	15.1
104.03370	4.4
107.80496	4.3
128.03400	48.7
146.04550	5.8
168.00101	5.9
187.13432	11.5
208.14424	5.1
209.19127	11.3
236.20187	5.1
236.24297	4.8
239.12991	7.2
253.18233	17.4
266.21429	6.5
271.19260	13.0
292.19489	5.6
328.21210	6.9
358.22464	11.7
463.67419	5.1
487.20490	7.5
487.26630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07676	0.2
55.01715	0.2
56.20401	0.2
57.03295	0.2
57.06938	0.2
59.01242	5.9
62.43672	0.2
62.56649	0.3
63.03542	0.2
67.06408	0.2
71.01242	3.7
73.02802	1.1
83.01234	0.5
83.04852	0.3
85.02802	1.0
87.00742	0.5
89.02299	3.1
95.01232	0.3
101.02306	4.2
113.02280	1.7
119.03336	1.4
143.03323	0.3
161.04469	1.3
166.21790	0.2
179.05498	0.6
201.55705	0.2
227.14525	0.3
233.19064	0.9
235.08167	1.2
251.20157	100.0
251.31430	0.7
252.20511	2.7
253.09288	12.1
254.09666	0.3
487.31598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20809	2.1
53.26910	2.6
58.73621	2.4
59.01237	9.7
71.01244	30.3
71.04864	4.7
73.02811	4.0
83.01256	3.7
85.02807	10.3
88.03886	5.8
96.95845	5.8
97.88271	2.6
99.00694	3.2
99.04383	3.0
99.26653	2.7
99.39623	2.9
101.02303	5.0
113.02298	15.6
119.04900	9.8
120.05281	3.7
128.03337	4.5
138.01610	43.5
143.34027	3.1
146.08098	16.9
155.87357	3.2
163.03838	4.2
164.04247	3.2
166.01089	7.3
177.11198	3.0
182.07887	9.7
192.06302	4.2
226.28653	3.2
240.08528	49.4
290.12360	4.4
306.08282	3.5
362.14581	100.0
384.12805	74.9
402.13858	25.9
444.15195	8.4
489.16409	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98816	0.2
59.01255	0.2
74.02345	0.4
84.04415	0.4
85.02831	0.3
91.74900	0.2
96.64967	0.2
98.02328	0.3
101.02303	0.4
102.02546	0.4
102.05466	37.0
102.08093	0.6
102.16685	0.2
103.05858	0.2
109.03931	0.6
110.04298	0.3
112.23677	0.3
115.01389	0.2
127.05006	1.8
127.99274	0.3
128.03406	29.1
128.07129	0.4
129.03801	0.5
142.12158	0.3
145.06081	8.0
145.99333	0.7
146.04474	100.0
146.06390	2.8
146.09004	1.2
147.04784	1.0
172.71474	0.3
222.16124	0.2
229.98100	0.3
341.10983	0.5
342.11523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45004	0.1
52.17492	0.1
54.18734	0.1
57.03304	0.1
58.99998	0.3
59.01243	17.4
59.02359	0.2
59.94292	0.1
60.01549	0.1
62.39274	0.1
62.94954	0.1
66.52770	0.1
71.01247	0.9
73.02797	0.8
78.95758	1.6
79.95587	2.3
83.01234	0.3
85.02802	0.3
89.02287	0.3
96.38724	0.1
96.93221	1.3
96.95872	100.0
96.98168	1.1
97.95804	0.2
101.02312	1.0
113.02306	0.5
114.93290	1.0
128.03415	0.5
161.04468	0.4
240.08746	0.2
289.23422	0.1
305.16074	0.4
331.12292	0.2
347.17212	0.6
359.11606	0.2
385.12170	0.2
445.11658	0.4
489.17517	0.2
489.24548	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06937	1.4
50.92379	1.6
55.01751	6.2
56.67480	1.6
56.67785	1.7
57.03317	4.1
59.01243	100.0
64.55799	1.7
69.03305	4.1
71.01241	83.7
72.99168	5.6
73.02810	15.3
78.95743	2.0
81.03326	4.5
83.01254	16.5
85.02805	58.8
87.00726	6.3
89.02295	40.6
93.03326	4.6
95.01244	6.7
96.95879	2.7
97.02819	9.4
99.00737	57.9
101.02306	47.6
105.77434	1.9
108.02052	8.0
109.02835	11.5
111.08092	3.0
113.02308	70.8
113.03102	4.1
113.72647	2.1
119.03393	16.9
119.04893	18.0
120.05226	6.7
121.02847	4.1
122.03608	54.3
123.04389	98.4
125.02296	17.8
128.03363	3.1
131.03419	2.4
135.04436	13.5
137.02306	19.7
143.03383	43.7
143.04436	3.6
155.03413	12.6
161.04449	29.6
163.00291	9.0
163.03891	11.3
164.04251	4.7
165.04350	2.5
165.05598	3.2
179.03609	2.6
179.05525	13.5
185.02112	2.9
203.05556	16.8
221.06590	3.5
245.06569	2.7
250.87753	2.5
285.09937	3.3
323.09879	29.5
327.10977	11.8
343.04721	7.0
365.10815	16.5
426.26056	2.3
447.15234	16.7
473.83072	2.5
489.15073	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.1
57.03331	1.3
59.00072	1.5
59.01244	100.0
69.03330	5.2
70.99739	1.1
71.01241	59.7
72.99200	3.5
73.02808	6.4
78.95797	1.1
81.03338	3.6
83.01238	8.0
85.02809	19.4
87.00706	6.0
87.08210	1.1
89.02303	48.1
93.24097	1.4
95.01281	5.5
96.95894	4.5
97.02817	10.7
98.95483	3.7
99.00746	8.9
101.02306	40.4
107.04890	1.3
107.74866	1.2
108.02008	5.8
109.02811	7.4
111.00798	2.5
111.08007	6.2
113.02307	30.3
113.03084	1.6
116.92765	4.6
119.03374	20.1
119.04922	5.6
120.05222	2.3
121.02853	3.1
122.03602	33.1
123.00806	2.0
123.04392	44.4
124.01536	11.5
125.02316	29.3
127.03967	3.7
128.03447	3.4
128.45107	1.2
129.01848	1.7
131.03407	2.5
132.96002	1.5
133.06505	1.4
135.79184	1.2
137.02354	3.7
139.03952	4.1
141.01855	4.0
143.03374	11.7
149.04469	1.8
152.39590	1.3
152.99448	2.3
155.03461	2.3
157.07605	1.2
161.04477	20.4
163.03981	3.4
164.04382	1.8
165.05540	1.9
167.03444	3.5
173.08090	6.1
179.05495	6.2
203.05605	3.5
203.35794	1.4
221.06819	2.7
231.06595	10.5
245.06665	21.7
245.08945	1.6
249.07681	2.9
263.07828	4.6
291.09000	1.7
305.08908	4.8
323.09802	7.2
327.10956	3.0
365.10867	9.1
411.13159	2.1
429.14236	5.6
433.38800	1.5
447.14996	10.1
489.15979	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27000	0.6
59.01241	100.0
59.02462	2.0
61.98689	1.5
63.47439	0.6
63.57830	0.9
71.01234	1.2
73.02813	1.2
73.17869	0.7
82.42678	0.7
83.30117	0.6
89.02309	1.2
101.02338	1.1
113.02299	1.3
128.03394	0.9
151.12469	0.8
166.86974	0.8
170.07858	0.7
197.05956	1.2
222.86780	0.9
387.20154	0.9
429.21677	1.3
445.21091	1.1
453.05139	0.9
489.23587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99953	1.2
59.01241	100.0
59.02390	1.9
71.01248	1.1
89.02303	1.0
96.95882	1.6
101.02306	1.3
110.40501	0.6
113.02348	0.7
119.17110	0.7
128.03432	0.8
154.98570	0.7
154.99841	0.7
167.79779	0.8
170.41956	0.8
180.46661	0.9
180.92792	0.8
197.06030	2.2
211.66006	0.8
298.15186	0.9
424.57916	0.8
429.20847	0.9
445.21124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93353	0.4
56.42890	0.3
59.01240	5.9
61.24319	0.4
63.01448	0.4
63.29060	0.4
71.01243	3.1
73.02786	0.7
78.42097	0.4
85.02789	0.9
88.04879	0.3
89.02312	3.1
94.77325	0.4
101.02304	3.2
107.05386	0.4
113.02297	1.5
119.03353	1.3
161.04428	1.1
235.08186	1.2
253.09352	12.5
253.21733	100.0
254.09929	0.6
254.22090	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87921	0.4
59.01244	22.1
60.01575	2.1
61.01667	0.8
71.01241	1.1
73.02805	1.3
78.95746	0.7
79.95569	0.8
83.01227	0.8
84.93715	0.8
85.02798	1.0
90.63467	0.4
96.93291	0.5
96.95872	38.8
96.98234	0.6
97.95807	1.3
98.95454	21.9
98.96278	3.3
98.97908	0.5
99.00734	0.6
99.92439	12.2
100.93224	6.8
101.02306	1.4
106.02009	0.4
113.02310	0.8
115.91944	25.8
116.89153	1.4
116.92723	100.0
116.95853	1.2
117.92776	2.0
128.03391	1.5
132.92380	0.4
135.04350	0.5
140.92700	0.6
142.94298	1.3
158.93855	0.6
161.04539	0.5
165.01848	0.8
173.92586	0.6
184.91751	1.4
254.07899	0.4
287.05795	0.6
306.07712	0.9
351.05270	0.9
361.18976	0.5
369.06442	4.0
371.08182	1.3
387.07370	2.0
405.08713	3.4
411.07709	1.4
411.82394	0.4
419.07642	1.0
429.08618	2.7
447.09662	4.2
455.06619	0.8
491.08627	10.4
491.16702	0.6
491.18130	0.4
492.08722	0.5
492.62711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84599	2.0
57.03302	3.0
59.01244	100.0
59.28567	2.0
61.98698	5.0
64.24480	2.1
66.06525	2.0
71.01241	19.5
71.04877	3.1
73.02806	9.0
83.01243	6.9
85.02817	9.2
86.38262	2.1
87.00729	3.8
89.02293	7.6
94.05725	2.4
96.95856	11.6
99.00763	4.5
101.02298	19.4
113.02328	9.8
119.03362	3.9
128.03401	13.1
128.89780	2.6
132.61774	2.3
147.08069	4.9
161.04448	6.8
174.81386	2.8
179.70662	2.4
206.24663	2.6
275.09628	5.6
309.20105	2.6
330.16684	2.8
333.13739	15.6
343.12234	4.7
361.13431	16.3
375.14746	5.5
403.14362	9.6
405.12308	11.4
447.13446	25.2
447.18643	4.8
491.16843	3.9
492.21124	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.1
65.67500	0.1
67.71204	0.1
71.01249	0.3
75.00751	0.2
78.95765	1.0
79.95587	2.6
85.02817	0.3
86.02317	0.2
88.03978	0.2
88.04740	0.2
96.95869	100.0
96.98330	1.5
97.95827	0.2
101.02325	0.3
113.02278	0.2
114.93288	0.8
128.03401	0.8
156.98969	0.3
157.01053	0.2
165.01913	0.2
166.66599	0.2
171.07773	0.2
266.02353	0.2
287.05554	0.2
307.17606	0.3
349.18753	0.7
387.13382	0.3
405.14578	0.3
428.76868	0.2
490.30698	0.2
491.11151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64477	0.6
54.88690	1.0
55.01770	0.7
58.42237	0.7
59.00043	1.9
59.01242	100.0
59.02332	1.5
63.02273	1.1
63.02911	0.6
65.00198	1.8
69.03336	1.8
71.01237	28.4
72.99187	1.4
73.01144	1.1
73.02803	59.7
75.00750	1.3
81.01915	0.7
81.03316	1.1
83.01236	14.8
84.93214	0.7
85.02817	5.2
89.02296	10.1
89.02760	0.9
89.96359	0.8
95.01259	1.2
100.99628	1.0
101.02301	52.9
107.01273	3.2
112.55718	0.9
113.02306	17.4
119.03386	5.7
125.02347	2.5
131.03372	4.9
135.04388	13.1
143.03389	4.9
149.04459	7.8
151.00259	16.8
155.03403	1.4
157.07224	0.8
159.61969	0.9
161.04454	14.8
163.96701	0.9
164.45958	0.9
173.28912	0.8
189.12761	1.1
190.40030	0.8
195.10190	4.9
199.55856	0.9
199.57793	0.8
203.05737	2.3
221.06725	3.2
223.01559	1.0
238.37932	0.9
260.10849	0.9
287.05664	15.7
287.08633	1.5
301.25522	0.9
447.22638	2.7
491.12057	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
57.03301	1.9
59.01242	23.8
69.03300	1.1
71.01236	9.8
73.02794	3.9
83.01235	2.2
85.02801	6.2
87.00728	3.5
89.02312	1.5
89.67857	1.1
99.00754	1.4
101.02286	7.3
111.00729	1.5
113.02307	2.5
119.03376	1.2
124.01561	1.4
126.81251	1.0
133.10101	1.3
137.89194	1.0
151.57999	1.4
233.07935	1.3
237.66055	1.2
245.07933	12.2
269.21268	3.7
287.22281	40.0
291.02954	1.1
299.22110	1.6
301.23798	1.9
301.89615	1.1
329.23413	2.0
340.05621	1.2
355.96228	1.1
383.38910	1.3
431.26480	18.5
449.27609	47.3
450.27658	1.3
464.87640	1.5
491.28650	100.0
492.29031	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74052	0.5
55.01749	1.2
57.03316	0.8
59.01244	19.6
66.80859	0.5
68.46978	0.5
69.03307	0.6
71.01237	9.2
72.99158	1.2
73.02805	2.5
83.01255	3.5
85.02791	4.6
85.99966	0.9
87.00723	2.9
89.02294	1.0
92.23854	0.6
95.01268	0.8
97.02801	1.1
98.95466	0.6
98.96326	0.7
99.00710	0.8
101.02297	5.8
111.00705	0.7
113.02291	2.5
117.39851	0.5
124.01538	0.8
125.02321	1.8
135.83881	0.6
138.21489	0.5
138.64716	0.5
141.12650	0.7
174.01558	0.7
203.47952	0.5
216.98981	0.5
245.41441	0.6
255.23184	0.7
269.21204	1.7
285.20755	0.7
287.22287	29.3
288.22519	0.7
299.22223	0.8
301.23840	0.8
329.23276	1.2
431.26645	15.2
449.27597	38.1
450.28040	1.3
491.28635	100.0
492.28857	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.8
59.93484	0.2
66.66083	0.3
66.82045	0.2
66.90978	0.2
71.01239	2.6
73.02803	1.1
76.69484	0.2
83.01233	0.4
85.02813	0.9
87.00733	0.5
89.02295	2.4
99.00707	0.3
101.02295	3.4
103.33270	0.2
112.15343	0.2
113.02315	1.8
113.02971	0.3
119.03353	0.7
119.50879	0.3
125.02365	0.3
125.27618	0.3
130.56580	0.3
133.04938	0.3
143.03391	0.4
157.04865	0.3
161.04446	1.0
161.63431	0.3
163.04065	0.3
167.89737	0.3
179.05582	0.4
235.08202	1.2
253.06544	0.4
253.09285	10.5
255.12866	1.0
255.23296	100.0
256.23599	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06934	0.4
51.39186	0.4
52.62003	0.6
58.02848	1.2
59.01247	3.3
65.12512	0.5
71.01226	2.1
72.04390	0.8
80.04890	1.0
83.01250	3.1
84.04393	3.7
85.02792	1.4
87.00740	0.6
87.05495	5.2
88.03900	6.6
89.02303	10.5
91.73285	0.6
96.95849	2.5
97.03919	1.0
98.02332	2.0
98.05982	1.6
99.05490	0.6
101.02311	1.5
102.05469	16.6
106.77906	0.5
107.01260	0.8
112.07536	1.7
113.02295	0.6
113.07054	1.5
116.07035	3.6
124.03910	7.8
125.02286	2.6
127.08592	0.7
127.99620	0.6
128.03406	48.7
129.03731	1.3
129.10208	12.9
141.06531	3.6
142.04970	9.8
146.04478	10.1
151.00261	6.4
155.08173	1.5
159.07661	2.6
160.06047	37.6
161.06363	0.7
169.01268	2.9
173.09274	0.9
199.07193	6.5
240.99078	0.6
245.11414	8.6
246.11736	0.6
271.09393	2.0
289.10425	100.0
290.10681	2.5
309.41693	0.6
349.14725	0.6
492.19397	3.6
493.12091	6.0
493.49387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53937	0.5
52.88310	0.5
59.01243	5.2
61.98672	0.5
71.01224	0.8
74.02340	0.7
78.95752	1.1
79.95609	0.8
91.73325	0.6
96.93394	0.9
96.95866	41.3
97.95810	1.2
98.92952	0.6
98.95447	26.7
98.96274	4.8
98.98291	0.7
99.00711	0.8
99.92432	10.9
100.93208	7.8
101.02317	0.6
115.91936	28.2
116.92717	100.0
116.96336	1.1
117.92750	1.6
128.03413	3.2
128.12669	0.6
140.92722	1.2
171.07779	0.8
184.91713	0.9
229.05415	1.6
249.05476	1.2
306.07510	1.2
353.07050	1.0
371.07898	3.7
373.09055	0.9
378.68433	0.7
389.08875	1.4
407.10202	3.9
413.08960	2.8
431.10034	4.2
449.11099	5.1
493.10172	14.1
493.25104	0.8
494.10245	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1201
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
57.03328	3.1
57.03545	0.6
59.01246	4.1
62.57898	1.4
62.58184	1.1
63.02271	0.8
65.00183	6.1
69.03301	0.8
71.01247	3.8
73.02790	0.8
79.24109	0.6
81.03315	1.7
83.01238	12.5
84.04389	1.2
85.02806	2.7
87.00748	0.8
87.05494	2.2
88.03898	2.4
89.02286	4.6
91.73299	1.0
93.03336	1.0
95.01285	0.7
96.95871	3.9
96.99165	0.7
97.02830	1.3
98.02350	1.1
98.05975	1.1
99.00740	1.4
101.02293	2.0
102.05470	5.6
107.01244	13.6
113.02308	2.5
113.99438	3.0
115.00240	1.2
116.07075	0.6
119.03325	0.6
124.01529	2.1
124.03930	2.4
124.98896	0.6
125.02316	30.2
127.00253	0.7
128.03410	15.0
129.03767	2.0
129.10201	4.0
130.10532	0.8
137.02287	1.1
139.03827	0.9
141.06578	1.2
142.04965	3.0
146.04485	4.6
147.04742	0.9
149.02376	1.4
151.00258	83.3
153.01801	0.7
154.09134	0.6
154.99736	3.0
159.07672	1.1
160.06058	12.6
161.04518	0.7
161.06380	2.0
167.03394	1.9
168.00543	2.2
169.01331	41.0
174.01646	0.7
175.00328	4.0
176.18761	0.6
193.01366	5.6
199.07181	1.7
211.02414	1.9
245.11473	1.1
277.05643	6.3
289.10428	26.9
290.10773	11.0
325.14148	0.8
337.07797	13.8
372.49319	0.7
395.34583	0.7
403.08990	0.9
492.18033	0.8
493.12021	100.0
494.12283	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	2.7
57.03307	2.2
59.01243	84.4
59.74944	2.1
65.16404	1.8
67.78332	2.5
69.97706	2.6
71.01241	87.3
72.99195	2.4
73.02806	20.4
83.01224	5.5
85.02789	21.3
87.00752	3.2
89.02295	100.0
89.02844	5.2
95.01232	3.3
96.95868	80.5
97.02828	2.5
99.00748	4.8
101.02304	45.1
106.04086	4.6
107.04891	49.7
107.05583	4.7
109.68689	2.0
113.02297	24.9
119.03368	12.2
125.02266	2.7
126.50866	2.5
128.03419	3.4
131.03371	4.6
135.04378	3.6
136.93953	2.4
138.71228	2.2
143.03358	6.2
149.04419	6.5
151.03902	41.8
159.02815	2.9
161.04466	23.6
179.03366	2.3
179.04056	3.1
179.05531	29.2
180.08437	2.2
246.63771	2.6
313.09369	11.9
351.03857	2.8
351.12729	4.3
428.24875	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59719	1.1
51.72873	1.5
57.02417	1.1
59.01242	100.0
59.02460	1.5
59.10411	1.8
61.98699	2.1
67.33215	1.2
69.03289	2.0
69.66233	1.5
69.94006	1.6
71.01239	30.7
73.02804	56.5
73.04442	1.8
80.52300	1.8
81.03321	1.4
83.01238	14.5
85.02825	3.5
89.02301	10.8
101.01646	2.8
101.02304	46.4
113.02312	16.6
119.03352	5.5
125.02302	2.2
131.03362	6.0
143.03400	4.5
149.04456	7.7
155.03342	1.6
161.04449	15.1
221.06711	3.6
241.48454	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85022	0.6
54.52456	0.6
55.01752	1.1
57.03313	6.4
59.00101	1.8
59.01242	100.0
59.02515	1.7
68.96263	0.6
71.01239	19.3
72.99193	1.1
73.02805	27.1
73.17259	0.7
79.05397	1.5
83.01249	6.6
83.04898	3.0
85.02798	5.6
86.14931	0.7
87.00757	2.7
89.02306	6.9
92.92676	1.3
95.01277	1.0
99.00768	1.1
99.30701	0.7
101.02303	23.1
107.04931	0.7
108.02045	0.9
109.02838	3.0
111.04381	1.2
113.02310	7.7
119.03403	2.0
121.06505	2.1
123.08035	1.0
125.02308	0.8
125.05988	1.5
131.03418	1.9
135.08073	1.0
137.09630	1.6
143.03386	0.9
149.09634	2.7
151.13649	0.7
152.08337	1.4
153.09183	1.1
161.04457	4.1
165.09137	1.5
179.10675	0.8
179.83206	0.7
205.12260	0.8
213.12874	1.4
231.13866	8.0
231.15581	0.7
271.17035	6.8
289.18167	4.4
433.22748	1.2
451.23633	2.8
475.14319	1.3
493.24939	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02048	0.5
52.56625	0.4
57.03316	8.7
58.90955	0.4
58.99994	1.7
59.01242	100.0
59.02323	1.4
63.56807	0.5
69.03300	0.7
71.01237	19.7
72.99165	0.9
73.02805	25.8
79.05379	2.8
81.03336	0.7
83.01244	7.1
83.04884	3.6
85.02804	5.5
87.00722	2.5
89.02301	7.2
91.72874	1.1
95.01232	1.0
97.02826	0.8
99.00753	0.9
101.02303	23.5
109.02802	2.5
109.06489	0.6
111.04393	1.2
113.02301	8.5
119.03397	1.9
121.06514	2.2
123.04382	0.8
123.08043	1.8
125.02338	0.9
125.06002	0.7
131.03398	1.4
135.08101	1.4
137.09630	1.9
143.03421	1.7
149.04454	0.7
149.09647	2.4
152.08293	1.0
153.09117	2.0
155.03381	0.7
161.04472	4.3
161.09612	0.6
163.11209	0.6
165.09138	1.3
167.10683	0.8
179.10701	0.8
213.12851	1.4
217.12292	0.9
219.13898	0.6
225.11330	0.6
231.13855	9.7
231.15973	0.7
271.17020	6.7
289.18170	5.4
387.50320	0.5
433.22568	1.0
451.23721	1.8
453.60565	0.6
493.24609	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76278	0.1
57.03318	6.4
58.00461	0.3
58.99928	1.2
59.01242	100.0
59.02421	1.8
60.01572	0.2
66.63125	0.1
67.01715	0.2
69.03304	0.9
70.99550	0.3
71.01241	18.7
71.02752	0.3
71.04887	0.2
72.99171	0.6
73.01038	0.3
73.02805	24.7
73.04374	0.4
75.00720	0.4
79.05392	2.5
79.97460	0.1
81.03313	0.4
83.00729	0.1
83.01240	6.0
83.04879	3.8
85.02808	5.4
87.00726	2.4
89.02301	6.3
89.04409	0.2
93.06947	0.4
95.01240	0.9
97.02804	0.8
97.06443	0.2
99.00722	1.2
101.02303	19.8
101.04877	0.3
107.04865	0.2
108.02035	0.5
109.02813	2.6
109.06437	0.3
111.00826	0.2
111.04380	1.2
113.02309	7.5
119.03374	2.0
119.08514	0.2
119.97855	0.1
120.05675	0.2
121.06460	2.0
122.03667	0.2
123.04383	0.3
123.08036	1.1
125.02316	0.9
125.05952	1.2
129.01759	0.1
131.03372	1.5
135.08040	1.3
136.55621	0.1
137.09616	2.2
138.06709	0.5
143.03389	1.4
147.08017	0.6
148.15906	0.1
149.04454	0.9
149.09593	2.1
151.07542	0.4
152.08353	0.8
153.09132	1.7
155.03383	0.4
159.02916	0.3
161.04446	3.9
161.09596	0.5
163.07536	0.2
163.11169	0.5
165.09126	1.4
167.10635	0.5
171.08080	0.2
175.11139	0.2
177.09099	0.1
178.09920	0.2
179.05464	0.3
179.10638	0.7
185.13200	0.2
187.11177	0.6
189.12668	0.2
198.10323	0.3
201.12769	0.6
203.05507	0.2
203.14308	0.2
205.12276	0.2
213.12772	1.2
215.10677	0.2
217.12215	0.5
219.13814	0.5
225.11345	0.2
229.15903	0.4
231.13878	7.8
247.17015	0.2
255.13928	0.2
271.17047	5.9
288.17255	0.2
289.18100	4.7
315.14551	0.2
353.47156	0.1
433.22009	0.5
451.23444	2.1
451.29410	0.3
491.26212	0.2
493.24490	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2443
Annotation	Glabcensin L
Peak:m/z	Relative Intensity
53.94522	0.2
55.01740	0.3
57.03316	1.2
58.00464	0.3
59.00076	1.9
59.01241	100.0
59.02578	1.0
60.01553	0.3
64.14525	0.2
69.03304	0.3
71.01237	11.8
71.04897	0.2
73.02805	4.6
77.95711	0.2
83.01249	2.1
83.04887	0.2
85.02806	6.4
85.03298	0.4
87.00719	0.5
89.02291	4.6
95.01273	1.0
97.02820	0.3
99.00737	1.5
101.02299	8.9
102.57767	0.2
113.02312	4.8
119.03374	1.3
125.02351	0.5
127.70837	0.2
129.28906	0.2
143.03426	0.4
159.02939	0.6
161.04457	3.4
197.24745	0.3
231.14120	0.3
283.04337	0.7
289.18179	1.1
433.22287	3.2
433.27271	0.3
451.23361	14.0
455.49493	0.2
492.29333	0.4
493.24298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38910	1.9
57.03300	2.3
59.01242	100.0
71.01234	25.6
73.02806	44.0
76.36529	2.0
83.01246	8.7
85.02825	3.3
89.02310	7.0
89.62254	2.3
96.95880	20.7
101.02304	34.3
113.02322	12.8
117.93475	2.3
119.03423	2.8
143.64040	2.8
161.04411	5.2
195.68550	2.6
198.02481	2.9
213.82405	2.5
245.07956	5.1
269.09177	3.0
370.16315	3.1
449.23825	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63936	0.1
57.82817	0.1
59.01241	1.5
70.02471	0.1
71.01240	0.6
73.02837	0.2
78.95777	0.5
79.95588	2.0
85.02831	0.3
89.99146	0.2
96.95869	100.0
96.98466	1.3
101.02319	0.3
106.04115	0.3
107.04884	6.6
112.79006	0.2
114.93262	0.8
122.51789	0.2
151.03912	2.2
163.25166	0.2
176.27196	0.2
206.99693	0.8
249.00806	2.9
263.02338	0.2
303.01599	0.2
333.02966	0.3
348.04532	0.2
351.03964	0.6
355.10361	0.5
393.05164	1.1
411.06223	1.2
418.60413	0.2
453.06989	0.4
455.23071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.2
55.81088	0.7
57.03299	0.7
57.11713	0.7
59.01244	74.5
59.02480	1.3
61.98707	0.8
70.99739	0.8
71.01241	25.7
71.02886	0.8
72.99165	1.8
73.02805	33.8
83.01241	9.3
84.05235	0.7
85.02811	6.7
87.00735	0.7
89.02302	11.7
95.01241	1.3
96.95840	0.9
99.00745	2.1
99.81570	0.6
101.02307	26.4
113.02306	8.2
119.03384	3.6
128.03387	0.9
131.03355	1.5
137.09567	1.0
143.03412	1.3
144.45291	1.8
161.04453	3.0
161.05791	0.8
187.14835	6.1
203.81277	0.9
231.13879	15.2
241.19508	1.2
247.99504	0.7
291.20987	0.9
321.22076	2.2
349.21710	1.1
393.19373	3.4
411.20230	17.5
453.21344	100.0
454.21616	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
57.03317	1.6
58.00470	1.2
59.00177	1.6
59.01242	100.0
59.02454	2.3
61.98691	1.3
70.99448	0.6
71.01238	40.5
72.99176	2.0
73.02805	42.4
75.00758	0.8
83.01235	15.7
83.01693	1.0
85.02806	12.8
87.00740	1.8
87.62797	0.6
88.87279	0.6
89.02297	21.9
89.02840	1.2
92.79380	0.6
95.01262	2.5
96.95877	0.8
97.02805	1.3
99.00756	2.2
99.04406	0.8
100.99296	0.6
101.02301	49.5
101.04978	0.9
102.05503	0.9
113.02307	18.1
113.66424	0.6
119.03365	8.1
125.02321	1.8
128.03429	1.8
131.03374	3.3
137.09595	1.5
143.03348	4.2
144.45384	1.2
149.04507	2.4
161.04448	8.3
172.54123	0.6
179.05624	1.9
187.14812	3.4
231.13878	34.6
241.11589	0.8
249.15100	3.1
359.98483	0.7
383.87314	0.7
393.19260	16.8
411.20258	14.6
453.21332	53.7
454.21841	2.0
482.04642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82919	0.5
55.01743	1.2
59.01245	3.3
69.03306	1.8
71.01240	5.2
72.99156	0.7
86.02996	0.6
87.04382	1.6
90.58306	0.7
95.04884	26.4
97.06449	67.5
97.09082	0.9
98.06793	0.8
99.04374	1.1
103.40218	0.6
113.02314	15.6
115.07514	10.6
123.04390	2.0
125.02317	14.4
131.03362	0.7
134.67947	0.6
140.99442	0.6
141.05460	30.9
142.07100	0.5
146.19305	0.6
159.06535	11.1
167.03462	4.1
171.92134	0.7
185.04480	15.3
211.87364	0.6
228.53191	0.7
229.04076	0.7
281.28497	3.9
311.47757	2.0
338.97037	0.6
381.86478	0.7
481.88083	0.7
485.56299	0.7
497.34888	100.0
498.35275	6.1
514.51538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23759	0.2
51.53683	0.2
59.01241	2.3
61.33791	0.2
61.98666	0.3
62.96276	0.3
63.20515	0.2
68.99652	0.3
69.28860	0.2
69.95125	0.2
71.52077	0.2
73.57835	0.2
75.05949	0.2
78.93777	1.5
78.95760	100.0
78.97487	1.5
96.94138	0.3
96.96819	25.6
96.99168	0.6
109.01568	0.2
113.01081	0.4
121.12491	0.2
148.08061	0.2
162.79800	0.2
184.06105	0.3
215.16580	0.3
240.02779	4.4
259.19171	0.2
282.03848	52.1
283.04102	0.6
334.47607	0.2
342.06100	0.4
356.06961	0.6
498.20877	18.0
499.21542	0.4
519.52905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72541	0.3
55.85194	0.4
59.01239	2.5
78.93845	1.5
78.95763	100.0
78.97428	1.1
78.97892	1.0
92.09650	0.4
96.95914	2.1
96.96820	25.1
104.41901	0.5
166.33183	0.4
201.98119	0.5
217.93985	0.7
240.02786	4.4
282.03857	54.5
283.03964	0.5
356.06766	1.4
372.47437	0.5
498.21085	19.4
499.21082	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00126	1.1
59.01239	7.6
61.58742	0.9
65.76649	0.9
67.38708	1.0
69.44480	1.0
71.01267	1.0
71.23264	1.0
78.95765	16.8
84.96553	1.1
90.42489	1.2
92.54456	1.1
108.02068	2.4
112.39584	1.1
112.50206	1.1
137.89388	1.2
140.01089	6.1
153.21225	1.3
171.98293	3.7
196.03764	3.2
203.18019	2.6
214.04814	10.6
257.22748	19.6
273.00180	1.2
278.35855	1.5
289.43140	1.3
301.21747	100.0
302.22174	1.6
350.25839	1.9
495.07980	1.3
498.17264	2.8
498.26294	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38878	0.7
50.87951	0.6
52.39239	0.7
57.77062	0.6
59.01238	8.2
59.16723	0.6
60.05444	0.9
60.90599	0.8
66.60040	0.7
73.11383	0.7
73.96321	0.6
78.93781	1.0
78.95757	53.2
78.97519	0.9
87.83353	0.8
91.72631	0.7
95.33315	0.9
117.06963	0.9
121.99979	2.3
124.69652	0.8
134.30766	0.8
140.01064	16.4
152.99481	5.1
196.03738	29.4
203.17984	3.1
214.04836	6.5
257.22751	18.6
271.20758	1.2
301.21732	100.0
302.22186	2.7
331.52402	1.4
353.90778	0.9
498.26285	41.2
499.26602	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.4
57.03307	0.3
59.01247	3.3
68.99680	2.6
69.03310	0.6
71.01234	3.6
72.99166	0.4
73.02790	1.5
74.01674	0.4
75.00722	1.3
83.01230	1.3
83.04881	0.4
84.43832	0.4
85.02803	6.0
87.00729	2.4
89.02279	2.5
95.01238	1.4
96.99170	0.4
97.02785	0.9
99.00726	6.3
101.02290	2.8
109.02805	0.9
111.00739	1.6
112.98642	0.6
113.02300	6.3
113.98695	0.8
113.99456	13.0
114.00259	0.7
115.00243	6.8
119.03348	0.5
121.02754	0.4
127.00254	4.0
129.01811	2.0
139.00255	1.7
141.01782	0.5
153.01749	0.6
156.00481	0.6
157.01309	4.0
157.03473	0.9
161.04343	0.4
169.01338	1.2
174.01613	10.7
175.02370	1.7
200.52216	0.4
221.00513	0.4
221.06593	0.4
277.05688	3.2
308.42349	0.4
366.23022	0.4
418.17215	0.5
439.10931	7.9
453.95239	0.5
499.13092	100.0
500.13260	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26699	0.3
57.03315	0.4
59.01246	2.8
61.44556	0.3
67.01789	0.4
68.99676	2.4
69.03311	0.8
70.66415	0.3
71.01237	2.7
73.02782	1.3
75.00716	1.0
83.01223	1.4
85.02810	5.5
87.00719	1.8
89.02303	1.9
95.01221	1.1
97.02790	0.9
99.00735	5.8
101.02285	2.8
111.00732	2.0
111.12841	0.4
112.98656	0.4
113.02298	4.8
113.99456	11.8
114.00257	0.6
115.00226	5.9
119.03342	0.9
123.61301	0.3
125.02305	0.7
127.00241	3.5
127.10871	0.4
129.01796	2.2
139.00256	1.3
141.01831	0.7
150.16196	0.4
153.01915	0.7
156.00516	0.5
157.01349	2.4
166.80228	0.3
169.01266	1.1
174.01598	8.5
175.02330	1.8
180.74718	0.5
184.72401	0.4
221.06686	0.7
223.06566	0.5
260.25885	0.4
271.42740	0.4
277.05682	2.1
418.17374	0.4
421.09769	0.4
439.05533	0.7
439.10999	7.9
481.12003	0.4
491.84503	0.5
499.13071	100.0
500.13333	3.0
514.66675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53957	0.6
52.63077	0.7
53.09629	0.6
59.00066	1.0
59.01243	60.0
71.00873	1.2
71.01242	19.5
73.02805	19.4
83.01229	4.6
83.04836	0.9
85.02806	3.0
85.89279	0.8
87.00735	2.2
89.02298	7.7
91.73347	0.9
93.36739	0.8
96.95890	0.9
101.02303	16.1
113.02282	5.0
119.03369	3.0
123.89080	0.7
128.03432	1.7
131.03407	1.3
144.09920	1.6
161.04459	1.5
161.09627	4.6
189.12776	9.9
233.11823	8.7
345.73495	0.9
395.17026	7.1
413.18106	16.2
455.19269	100.0
456.19412	3.9
499.13193	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00029	3.8
59.00970	8.5
59.01241	100.0
61.98689	10.1
71.01225	23.6
72.95461	3.7
73.02804	38.6
77.16858	4.9
89.02309	4.9
96.95863	79.4
100.40574	4.4
101.02298	28.6
105.68858	4.1
109.47674	4.3
112.41597	4.1
113.02349	5.5
116.11809	4.6
128.03389	10.2
130.20874	5.8
141.01567	4.7
144.11528	4.8
161.09653	15.0
189.12791	28.6
209.76279	5.2
213.68124	4.9
231.17262	5.1
233.11806	50.4
413.18488	7.6
413.79355	6.8
455.19223	83.1
459.80560	5.4
459.86768	6.3
471.68036	5.7
499.13693	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06342	3.8
52.75610	4.4
56.73764	4.2
59.01245	99.7
69.13440	4.7
71.01237	26.3
73.02785	10.6
83.01263	7.6
85.02810	10.6
85.07991	4.1
89.02294	20.7
91.73361	6.5
94.09323	5.1
96.95854	5.2
101.02289	24.4
113.02296	12.2
119.03394	6.2
128.03410	9.5
142.99306	5.6
152.01039	10.9
157.18303	5.8
166.02650	23.2
167.03444	32.2
178.02655	13.8
181.04951	19.4
182.05771	24.5
191.03279	6.4
198.41272	5.8
229.08723	7.6
251.77577	5.7
265.10785	17.6
280.13254	6.4
301.17545	5.9
325.34317	6.2
409.14966	24.3
424.17404	15.4
427.16122	41.3
439.19705	65.5
442.18417	25.1
457.20825	100.0
484.19418	19.5
499.21588	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79626	0.2
57.23865	0.2
59.00146	1.4
59.01241	100.0
59.02507	1.5
60.01576	0.4
71.01234	1.0
73.02804	0.9
83.01238	0.2
89.02303	0.4
91.72730	0.4
101.02312	0.6
113.02306	0.4
126.43192	0.2
128.03410	0.3
133.33463	0.2
158.88821	0.2
186.51437	0.2
209.67329	0.2
395.74265	0.2
432.93961	0.2
457.02512	0.2
460.49765	0.3
520.41577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.2
59.01245	0.6
64.83690	0.5
66.26031	0.5
76.13841	0.6
76.97337	0.5
81.34987	0.6
95.04907	1.4
96.09143	0.6
97.06444	11.3
97.35957	0.7
123.08012	6.0
125.06022	1.3
125.09589	100.0
125.13523	1.1
126.09886	1.2
169.08614	2.6
187.09677	37.0
225.28558	0.7
228.44981	0.7
243.12375	17.2
255.23285	64.0
256.23669	1.2
261.13419	23.1
371.94955	0.7
499.36462	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34239	0.2
50.66856	0.2
51.42970	0.2
51.77859	0.2
54.04996	0.2
59.01242	4.0
59.24725	0.2
61.98680	0.2
71.01243	0.6
78.95759	16.7
78.97598	0.3
80.12278	0.2
86.01398	0.3
96.62196	0.3
96.96821	0.9
113.76226	0.3
121.99998	0.4
140.01045	3.6
152.99472	2.6
171.00539	1.7
186.54010	0.3
195.43916	0.3
196.03705	1.8
198.89757	0.2
214.04822	4.1
259.24408	1.3
303.23300	100.0
303.37399	0.9
304.23718	1.8
329.21951	0.4
500.27841	14.1
501.28229	0.5
502.32666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72982	0.3
59.01242	4.7
64.29132	0.4
70.32357	0.4
70.85575	0.3
71.10925	0.3
75.04646	0.3
78.95763	11.4
79.47435	0.3
83.04874	0.5
84.78094	0.4
93.89635	0.3
131.21060	0.4
140.01073	4.2
152.99469	1.6
166.37666	0.4
167.47693	0.3
171.00487	0.6
196.03722	2.0
205.19522	1.2
214.04860	5.3
231.21027	0.6
248.59674	0.4
259.24362	5.9
259.44504	0.4
285.22226	0.5
303.23309	100.0
304.23709	2.8
348.02100	0.4
500.27872	10.6
500.35242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76942	0.6
59.01243	6.0
60.23351	0.6
61.16423	0.5
61.68153	0.4
62.96273	0.9
70.22115	0.5
71.01235	0.6
78.93924	0.9
78.95760	40.0
83.04850	0.6
95.86047	1.1
95.86582	0.7
121.99989	1.7
140.01054	11.3
148.81873	0.6
152.99443	4.2
195.96617	0.7
196.01939	1.2
196.03737	19.9
205.19569	2.1
214.04776	5.8
259.24319	7.9
262.59988	0.5
277.15430	0.7
303.23300	100.0
304.23618	2.2
319.52390	0.6
329.22098	1.3
377.72913	0.6
500.27847	38.0
501.28088	1.7
522.49847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44315	0.3
59.01239	3.0
64.85931	0.3
71.01228	0.7
74.33134	0.3
74.66078	0.3
92.51914	0.3
93.03343	0.4
96.66866	0.3
96.85899	0.3
96.95858	1.3
101.02277	0.6
103.87311	0.3
107.04874	0.4
113.02274	0.4
117.03329	2.1
119.01225	0.8
119.04891	87.5
119.08116	1.2
120.05231	1.7
121.02861	0.5
132.05704	0.3
133.06447	0.8
135.02893	1.0
135.04373	0.9
145.02844	8.8
161.05945	1.4
162.97977	0.9
163.03906	100.0
163.09105	1.1
164.04211	2.0
179.03430	0.7
191.07042	1.4
205.05026	0.9
210.18654	0.4
217.05103	0.4
222.24905	0.4
235.06091	24.9
236.06471	0.6
236.80945	0.4
257.90219	0.4
277.07376	0.4
367.10336	4.0
385.87222	0.4
419.69290	0.4
423.86874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23972	0.5
59.01234	3.5
62.79250	0.5
66.94561	0.5
67.30518	0.5
78.95757	8.5
83.04841	0.9
83.79449	0.5
108.97373	0.6
112.29088	0.5
136.48950	0.6
163.34317	0.7
168.04219	2.4
185.04634	0.6
224.06891	1.6
227.20132	2.3
233.22699	0.9
242.08023	3.7
259.20782	1.0
277.21735	100.0
278.22101	2.6
313.90643	0.7
344.85443	0.7
351.85928	0.6
452.28073	1.6
502.29501	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48755	0.6
59.01253	1.1
69.06655	0.7
78.95766	6.6
107.01610	0.9
117.43422	0.8
137.86386	0.8
168.04251	1.4
184.91394	0.9
211.32803	0.8
224.07014	1.3
232.33293	1.0
236.93703	0.8
242.07993	2.4
244.82491	0.7
265.47394	0.9
276.42682	0.8
277.21744	100.0
278.22195	3.4
391.74869	1.0
502.29483	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2944
Annotation	LysoPE(0:0/20:3(5Z,8Z,11Z))
Peak:m/z	Relative Intensity
52.24509	0.1
59.00971	0.3
59.01245	3.8
61.98687	0.6
71.01244	0.5
78.95763	7.0
82.66618	0.1
83.04871	0.3
85.23727	0.1
96.96832	0.2
114.07070	0.2
121.99995	0.3
129.96367	0.1
138.70595	0.2
140.01068	2.5
152.99455	0.8
171.00534	0.4
196.03729	1.6
214.04816	4.4
227.03371	0.2
285.62112	0.2
287.23785	0.2
305.10703	0.8
305.24884	100.0
306.25223	3.3
502.29462	8.9
503.30112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52584	0.3
52.94478	0.3
59.01240	1.8
60.65256	0.3
71.01239	0.4
74.32782	0.3
77.37595	0.4
78.95303	0.4
78.95762	8.5
79.35419	0.3
138.14993	0.3
140.01082	2.7
152.99478	0.9
171.00670	0.4
182.99100	0.4
196.03735	1.8
214.04823	2.8
287.23657	0.6
305.24881	100.0
305.38516	1.0
306.25247	2.0
401.33575	0.4
502.29434	10.6
503.29413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.162
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
51.15839	0.7
57.03313	2.1
58.00463	1.1
58.99949	1.2
59.01241	100.0
59.02404	1.9
66.86305	0.7
69.48903	0.9
71.01237	62.8
71.02783	1.0
72.99165	2.4
73.02822	4.9
83.01244	4.5
85.02805	13.2
87.00721	6.8
89.02294	92.6
89.04458	1.5
91.72710	1.5
95.01223	4.8
97.02831	1.4
99.00719	2.1
99.47441	0.9
101.02298	43.2
113.02303	32.4
113.03093	1.3
119.03363	35.4
125.02325	1.5
131.03394	3.3
136.49138	1.3
141.04404	0.8
143.03401	8.0
149.04440	3.6
160.80681	0.8
161.04440	12.3
179.05521	49.3
221.06538	4.3
238.08479	0.9
295.65784	0.9
299.64722	1.0
323.09845	15.7
338.28970	1.0
341.10809	2.0
502.15659	1.1
503.16211	84.0
504.16589	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82061	2.2
51.37725	2.0
51.81298	1.9
54.83012	2.5
58.62497	2.1
59.01241	11.6
61.88088	2.1
61.98697	22.9
66.75005	2.1
67.15521	2.7
71.01242	9.4
74.26034	2.1
83.01229	3.2
85.02806	3.2
87.99410	2.3
89.02278	4.9
96.95873	15.3
101.02283	7.9
113.02325	5.8
128.03416	9.4
134.03561	2.8
135.02866	6.2
135.04399	100.0
136.04781	2.6
158.87277	3.0
161.04449	4.1
167.07297	2.6
179.03406	97.9
192.99586	3.2
229.98721	3.1
235.98143	2.7
279.24237	3.1
467.21344	88.9
503.14130	10.4
503.19821	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53796	6.0
59.01239	21.9
61.98672	10.5
64.81187	7.3
67.85230	6.9
70.69241	6.9
70.95197	7.0
79.44431	7.8
85.65484	9.0
89.81041	7.5
95.42139	7.5
101.88378	7.6
104.71878	9.1
106.72785	7.9
130.51451	8.8
183.01184	10.4
503.28296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47065	1.4
55.69804	1.7
59.01243	12.2
65.89566	1.6
73.02794	2.6
78.77863	2.0
82.62308	1.9
84.51673	1.9
87.56804	1.9
101.02321	2.3
130.74208	2.1
134.01015	2.3
147.60194	2.0
191.74341	1.9
309.01270	2.2
503.27869	100.0
504.27914	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.16282	0.3
57.03310	1.3
58.02827	0.4
59.01229	0.6
61.98666	0.2
63.66784	0.2
66.42056	0.2
74.02320	0.7
82.02335	0.3
82.02832	5.6
84.04399	5.8
86.02326	4.1
88.03897	0.3
96.04420	0.3
102.05421	0.3
109.03940	0.4
109.07574	2.7
110.02339	0.9
110.05963	0.7
112.03900	0.3
112.94373	0.2
113.09584	8.4
120.01105	3.7
123.05489	0.5
125.02106	0.2
126.05502	0.5
127.05002	3.6
127.07724	0.4
127.08633	5.4
127.99164	0.7
128.03401	100.0
128.07132	1.4
129.03772	1.2
144.01106	0.3
145.06075	0.7
146.04474	0.7
151.08641	0.9
153.06581	11.2
157.36514	0.2
159.08386	0.7
160.47266	0.2
169.09698	0.4
171.07648	17.0
171.73792	0.2
172.07977	0.3
194.12921	0.7
195.07661	2.8
197.05617	1.2
215.06619	1.0
231.04419	9.7
238.11922	0.6
239.06697	2.3
249.05493	8.8
255.06717	0.3
256.12985	0.5
264.09927	2.1
272.09003	0.2
282.10934	4.3
300.11990	2.6
306.07761	0.6
308.08710	0.3
326.06592	0.3
326.09836	1.5
342.04251	0.3
342.07654	1.4
344.11020	9.0
360.08722	5.1
375.16183	0.3
378.09781	22.2
378.28464	0.3
379.10062	0.6
471.79175	0.2
486.19110	0.5
504.20285	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	0.5
63.67125	0.4
67.50504	0.4
78.95764	5.8
82.34747	0.3
90.32434	0.4
128.36090	0.4
152.99460	0.6
168.04199	1.6
168.81927	0.4
224.06918	1.0
242.07887	2.4
279.11047	1.0
279.23297	100.0
280.23639	1.7
464.61960	0.4
504.24329	0.7
504.31039	8.1
515.83728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19328	0.3
56.38692	0.3
59.01238	0.5
63.11791	0.3
74.26384	0.4
78.95758	5.4
82.03362	0.3
123.61671	0.4
140.01045	2.3
152.99490	0.6
157.46170	0.3
170.45822	0.4
185.31406	0.4
191.55893	0.3
196.03687	1.1
214.04756	2.4
307.26434	100.0
308.26743	1.8
462.61481	0.4
504.30997	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05505	2.5
52.10645	2.3
56.32626	3.0
56.78266	2.4
70.10865	2.5
78.95749	22.1
96.86905	2.8
114.49744	2.8
114.97856	3.9
140.01059	5.9
196.03732	10.2
219.12590	3.9
307.23138	5.9
307.26471	100.0
308.10559	3.4
465.44714	3.6
504.30927	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2575
Annotation	Amoritin
Peak:m/z	Relative Intensity
54.97130	0.4
59.01231	1.9
60.59002	0.4
78.95764	8.5
91.48578	0.9
94.49462	0.6
96.96816	0.8
97.03837	0.4
103.23257	0.5
125.28255	0.5
152.99478	14.9
163.26157	0.5
166.30881	0.5
168.90681	0.6
171.00540	1.6
227.03241	2.9
245.04404	1.5
277.21735	100.0
278.22125	2.1
418.58044	0.6
505.25778	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00972	2.7
59.01245	35.4
59.01546	1.9
59.02416	1.3
61.98696	2.0
71.01241	24.0
72.00761	13.5
73.02776	1.7
78.95803	1.7
85.02812	3.3
87.00724	2.2
87.92969	1.1
89.01755	3.0
89.02299	48.5
91.72653	1.5
91.73180	2.5
96.95857	3.4
101.02296	15.9
113.02306	13.3
119.03368	15.8
128.03392	2.8
130.84035	1.5
143.03368	3.5
143.19525	1.5
147.03223	2.3
147.04408	47.7
158.92419	1.6
161.04451	4.5
164.07074	98.7
167.08304	1.3
176.16759	1.4
179.05530	25.4
225.25189	1.8
341.10904	100.0
342.11322	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	8.1
58.02567	2.0
58.02842	29.6
59.01242	69.6
59.02470	1.7
68.39851	1.4
69.03309	7.3
71.01232	12.1
73.02802	78.5
75.00710	3.1
80.44681	1.3
82.99526	1.8
83.01242	79.3
84.25743	1.6
85.02821	1.9
91.73338	3.4
97.94894	1.7
99.04385	3.6
100.03901	12.5
101.02305	43.5
105.01807	4.5
113.02291	22.3
131.03363	6.7
140.03404	8.4
142.04984	85.5
143.03397	2.4
163.38277	1.6
195.34850	1.6
202.07169	6.4
225.18645	2.7
243.19644	100.0
285.20755	25.3
315.21887	5.1
326.23376	5.1
372.45264	2.0
380.37842	2.1
462.79419	1.9
520.21820	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.7
62.82702	0.2
62.99174	0.2
67.65617	0.2
71.01230	0.7
73.02806	1.8
73.69021	0.2
79.95575	1.8
83.01221	0.2
87.00711	0.3
90.96990	0.6
91.72627	0.5
96.93138	1.2
96.95869	100.0
96.98217	1.4
101.02299	0.8
114.93342	0.4
116.92725	0.3
117.01791	0.3
118.96516	0.5
119.04885	2.6
128.03355	0.5
132.98076	0.7
144.51602	0.2
145.02818	0.3
152.03732	0.2
159.04234	0.2
160.97565	0.3
163.03900	1.6
175.48544	0.3
176.04716	0.3
185.02113	1.0
241.03758	0.3
259.05060	0.3
303.04822	1.8
307.08218	0.5
361.08075	0.3
365.14578	2.4
379.09335	0.4
380.56732	0.2
399.78143	0.3
403.09207	2.6
421.10287	2.5
425.10886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76628	0.2
57.03303	0.7
59.01245	2.7
62.76039	0.2
67.51957	0.2
71.01227	1.1
72.99157	1.6
73.02802	0.3
73.62347	0.2
75.00731	17.7
75.02419	0.3
85.02779	0.7
87.00734	11.2
89.02298	1.1
91.69735	0.3
95.85347	0.2
96.95860	0.4
99.00737	2.4
101.02296	1.3
103.00271	0.2
105.01797	10.2
111.00750	0.3
117.01778	0.5
119.03347	0.4
120.66192	0.2
129.01802	2.6
133.01253	0.4
135.02867	0.6
147.02866	4.2
163.02409	0.4
165.03947	100.0
165.09291	1.2
166.04271	0.9
196.13870	0.3
208.94431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51350	0.4
57.03316	2.7
58.00459	0.6
58.99953	1.5
59.01242	100.0
59.02356	1.6
62.83754	0.4
69.03314	1.7
70.99565	0.4
71.01238	25.4
72.99171	0.9
73.01073	0.9
73.02804	55.3
73.04367	1.0
75.00768	0.6
81.03307	0.9
82.39449	0.5
83.01237	12.0
85.02805	4.2
85.06451	0.6
87.00768	0.9
89.02297	9.2
95.01252	0.7
97.02821	0.8
99.00743	0.6
100.99497	0.5
101.02303	44.1
101.04858	0.9
101.24207	0.5
101.53687	0.5
103.85485	0.4
107.04883	4.9
107.05467	0.4
109.02838	1.4
109.13650	0.5
111.04391	0.6
113.02300	13.2
119.03387	3.5
119.04961	0.5
123.04354	0.5
123.08105	0.6
125.02303	2.9
131.03403	3.8
133.02861	0.9
135.08064	1.0
137.06007	1.1
143.03395	4.2
147.08063	0.5
149.04504	4.3
149.05887	3.4
155.03400	2.1
161.04457	9.2
163.11195	5.9
177.12782	0.7
187.09814	0.6
187.11183	3.3
190.09869	0.6
193.01445	0.6
203.05502	0.8
205.12276	40.6
206.12802	0.5
221.06627	0.5
223.13460	1.8
253.00587	0.5
274.53256	0.6
439.03546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
57.01392	0.5
57.03296	0.8
59.01242	23.4
62.36446	0.5
69.03288	0.8
69.56245	0.5
70.57069	0.5
71.01242	10.1
73.02805	4.2
79.86792	0.6
83.01255	2.8
84.82661	0.8
85.02827	3.6
87.00745	2.6
89.02290	1.1
89.77635	0.5
91.10800	0.5
99.00730	1.0
101.02291	5.1
110.37274	0.7
110.37943	0.7
113.02300	2.7
125.02310	1.2
142.69196	0.7
147.37288	0.7
155.47647	0.6
169.12134	0.5
185.11804	1.5
201.71263	0.5
203.12437	0.5
211.17096	0.6
211.36026	0.6
241.15901	0.6
241.18047	3.5
257.17529	1.7
259.19150	40.5
260.19473	0.6
271.19150	0.9
273.20901	0.6
301.20221	1.0
403.23416	12.9
421.24454	37.9
422.24564	0.8
463.25516	100.0
464.25516	2.9
465.93729	0.7
507.28143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76415	0.3
57.29830	0.1
59.01229	0.6
59.40287	0.2
62.27184	0.2
71.64503	0.2
78.95766	8.0
92.02351	0.3
96.96818	0.8
110.23933	0.2
152.99483	14.3
161.02348	0.3
171.00531	1.5
176.42023	0.2
206.70876	0.2
218.38695	0.2
227.03233	2.1
245.04341	1.6
261.22360	0.4
279.23309	100.0
279.35281	0.9
280.23676	2.9
308.00259	0.2
321.59695	0.2
368.29999	0.2
507.27322	26.0
508.27875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	5.6
64.05044	1.1
68.80066	1.0
78.95751	12.2
83.01696	1.1
84.04153	0.9
90.31435	1.1
92.70477	1.0
121.02839	1.1
140.01060	3.7
152.99432	5.0
167.14371	2.3
181.25763	1.1
185.68723	1.1
196.03653	1.9
207.17442	1.6
211.98859	1.2
214.04800	5.0
223.20612	2.0
233.15247	1.2
249.18535	6.8
267.19669	100.0
268.20047	3.1
275.16544	9.6
293.17612	35.4
311.18631	50.9
312.19168	1.8
345.62769	1.2
438.39249	1.2
464.25903	3.1
508.23163	59.2
509.23898	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.06
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.0
61.98667	0.1
67.17615	0.1
71.01242	0.4
73.02813	0.1
78.95768	0.5
79.95586	2.2
86.79050	0.1
89.02270	0.3
94.65038	0.1
96.93272	1.5
96.95869	100.0
96.98103	1.1
97.95805	0.2
100.10164	0.1
101.02316	0.5
113.02239	0.2
114.93286	0.9
119.04884	4.5
128.03409	0.3
147.06590	0.2
152.03250	0.1
163.02495	0.3
163.03906	5.2
205.05048	0.2
261.00974	0.2
339.12033	0.3
367.93237	0.2
449.19839	0.2
509.18512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.06
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59773	0.1
59.01236	0.7
61.70623	0.1
61.98681	0.2
63.60320	0.2
66.23224	0.1
70.14468	0.2
71.01225	0.3
78.95766	0.6
79.95596	2.0
87.21218	0.2
87.47264	0.2
91.46436	0.2
96.83250	0.2
96.95868	100.0
96.98315	1.5
101.02320	0.2
105.34709	0.2
114.93285	0.8
117.03359	0.2
119.04892	7.3
119.05760	0.3
128.03415	0.2
163.03905	7.8
163.09334	0.2
164.04260	0.2
193.01828	0.7
218.99724	0.9
233.01292	0.6
235.02866	1.8
261.00803	4.6
267.01733	0.2
273.01016	0.2
363.04233	0.3
367.10352	0.7
405.05328	1.1
423.06110	1.0
465.07559	0.2
467.21368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	8.3
71.01217	2.5
73.36398	1.4
83.04890	2.7
84.04397	4.2
85.02802	1.5
100.07520	1.4
102.05466	55.0
103.88512	1.3
106.04067	1.5
107.04881	1.7
109.06469	1.5
128.03406	97.5
128.69009	1.2
135.08083	1.6
146.04460	17.1
189.12852	7.5
207.13881	6.0
245.56543	1.5
251.12914	8.5
336.18164	1.9
362.16113	6.4
380.17117	26.2
438.31702	1.6
465.22296	1.6
485.94107	1.5
491.20401	5.9
509.21368	100.0
510.21954	4.6
510.77042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.6
55.03942	0.5
57.03316	2.3
59.00090	1.3
59.01242	85.5
59.02525	1.3
61.98692	2.5
69.03311	1.3
70.18822	0.5
70.65604	0.6
70.99766	0.8
71.01239	43.2
71.02917	0.5
71.04883	0.9
71.66174	0.5
72.31181	0.6
72.99195	1.2
73.02805	15.7
73.03201	1.0
75.00743	1.3
81.03306	0.5
83.01235	10.9
85.00833	0.7
85.02293	1.3
85.02806	24.9
85.99948	1.4
87.00736	3.9
89.02303	6.9
91.72706	0.6
95.01239	4.1
96.95871	13.8
97.02824	3.1
99.00735	5.9
100.99760	0.7
101.02305	38.2
111.00749	4.4
112.01518	1.4
113.02307	23.9
113.09595	0.7
114.51672	0.7
118.97935	3.0
119.03374	2.5
119.04916	0.6
124.01557	1.1
125.02312	4.5
128.03430	1.0
129.01791	1.1
141.01837	0.7
142.02271	1.0
143.03397	5.5
143.10637	2.8
145.18266	1.4
159.01741	0.7
159.02869	3.7
161.04454	10.8
163.03862	1.2
194.85039	0.6
208.13632	0.6
223.13574	0.7
234.89604	0.7
261.00870	0.7
287.15039	4.7
305.16068	12.1
320.26172	0.6
375.16522	1.4
419.19174	0.8
449.20319	100.0
450.20676	3.8
465.14444	0.9
467.21338	68.3
468.21588	2.3
509.22592	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.7
57.03306	3.1
58.99993	2.1
59.01242	100.0
61.48295	1.3
63.17083	1.3
64.09375	1.3
69.03308	3.0
70.63716	1.5
71.00869	3.3
71.01237	42.8
72.99164	1.7
73.02808	11.4
82.57117	1.3
83.01246	10.6
85.02810	19.4
87.00719	2.8
89.02302	42.2
95.01279	3.4
96.95878	6.8
97.02850	2.2
99.00750	3.0
101.02299	46.9
113.02312	21.9
119.03384	17.1
124.01537	34.1
125.02329	6.0
127.19828	1.6
128.03407	8.2
128.99397	1.7
131.03392	1.7
143.03394	6.1
143.10698	5.0
161.04486	8.9
171.79744	1.6
174.21730	1.6
179.05548	8.6
213.45627	1.6
221.06747	1.9
225.65688	1.9
235.08226	11.1
251.12863	6.1
253.06642	2.3
305.16043	8.6
347.17151	4.4
449.20239	13.6
467.21313	82.9
500.10196	1.8
509.22382	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97717	0.4
57.62157	0.5
59.01247	1.1
61.97366	1.8
61.98693	100.0
61.99836	1.3
79.20549	0.4
139.22215	0.4
139.51025	0.5
193.66843	0.5
245.76547	0.4
339.25485	0.5
382.18973	0.4
405.69208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.2
60.93434	2.5
61.16214	2.4
61.98694	100.0
97.96526	3.1
104.42133	2.5
140.99748	3.1
153.03206	3.0
193.04938	3.2
420.64893	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
58.53094	0.2
59.00173	1.5
59.01244	100.0
59.02481	1.7
61.98678	0.3
71.01241	6.6
73.02806	2.6
73.85469	0.3
83.01260	1.1
85.02810	3.5
87.00745	0.5
91.73357	0.9
95.01267	0.8
99.00759	0.7
101.02305	4.7
113.02299	2.9
125.02337	0.3
130.37230	0.3
130.42427	0.3
159.02933	0.5
161.04437	3.2
163.91267	0.3
230.85298	0.3
467.30136	7.4
509.24216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
61.98705	1.8
63.96107	0.3
80.34298	0.3
86.02341	0.4
95.55152	0.3
96.95881	1.7
101.02313	0.3
104.27673	0.3
119.97853	1.3
120.01119	100.0
120.04838	0.9
121.01469	0.5
169.24820	0.3
172.30493	0.3
173.06465	0.4
186.10300	0.3
296.20221	0.4
466.17575	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50955	0.5
59.01233	1.8
71.11034	0.5
75.86890	0.5
79.95576	2.4
84.04380	3.2
91.36996	0.5
96.93343	1.3
96.95867	100.0
97.01549	1.1
97.95805	3.8
97.96356	0.9
98.95446	5.6
98.96278	1.2
99.92442	2.2
100.93182	0.8
101.02307	0.9
102.05460	2.3
106.06477	3.8
110.02349	6.7
114.07411	0.7
114.93225	0.9
115.91931	2.9
116.92722	19.3
118.69896	0.6
119.04881	2.3
120.05206	1.4
124.03919	0.8
126.05466	2.6
128.03404	17.8
134.05994	15.0
145.96863	0.6
146.04486	2.7
154.01350	8.5
159.05571	1.1
163.03922	4.7
164.04213	2.5
166.08640	8.0
169.03700	8.6
170.04480	3.5
171.20148	0.7
172.02371	1.0
201.10326	1.8
210.07660	10.1
219.11337	1.0
233.12857	0.9
243.11299	0.8
245.09273	4.6
251.13934	0.7
263.10364	1.8
274.29922	0.7
276.10712	0.8
277.11902	5.4
295.13037	0.9
307.09473	1.3
321.10980	6.5
339.11984	35.3
340.12155	0.9
388.00443	0.9
447.83588	1.4
511.02051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07468	1.1
57.03306	1.1
59.01242	100.0
59.02478	1.6
71.01237	9.6
72.71588	1.0
73.02779	2.5
83.01224	2.9
85.02787	5.2
85.63595	1.3
89.02303	5.4
101.02312	9.3
112.05606	1.2
113.02292	6.4
161.04457	6.2
163.34645	1.5
252.70862	1.6
302.99420	1.5
381.22809	8.0
451.23535	14.8
520.62982	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84958	0.1
57.03314	0.4
58.00449	0.2
58.99871	0.7
59.01240	100.0
59.02407	1.9
60.01585	0.2
65.11823	0.1
68.91537	0.1
69.03323	0.2
71.01237	10.9
71.02850	0.3
72.99178	0.4
73.02803	9.7
73.04464	0.2
75.00735	0.2
83.01240	2.5
83.01695	0.2
85.02802	2.7
85.03294	0.2
87.00752	0.3
89.00334	0.2
89.02295	9.8
89.04540	0.1
95.01251	0.7
96.12640	0.1
96.95881	0.3
97.02829	0.2
99.00758	0.5
99.04353	0.1
101.02299	11.2
112.10274	0.1
112.69693	0.1
113.02309	4.8
116.37529	0.1
119.03358	3.6
125.02348	0.4
128.03476	0.1
131.03374	1.1
143.03375	1.2
149.04459	0.8
155.03419	0.3
159.02911	0.1
159.44592	0.1
161.04453	2.2
179.05544	2.0
179.07040	0.2
179.51462	0.1
202.59819	0.1
203.05573	0.2
209.20615	0.1
224.03015	0.1
262.64142	0.1
373.61261	0.1
381.22766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50764	0.4
55.01743	0.6
55.21914	0.4
57.03309	1.1
58.99957	1.8
59.01243	100.0
59.02367	1.6
63.57064	1.0
71.01241	13.3
73.02809	11.4
73.82214	0.5
83.01242	3.5
85.02806	3.2
86.98410	0.6
89.02302	11.7
92.35019	0.7
95.01242	0.7
101.02309	13.4
101.02956	0.8
113.02291	5.6
113.88135	0.6
118.68503	0.7
119.03381	4.5
125.02317	1.0
125.04335	0.6
128.03384	0.7
131.03380	1.1
143.03426	1.3
149.04414	0.9
159.02838	0.6
160.09955	0.5
161.04460	3.9
179.05573	2.3
194.12939	0.6
263.53842	0.6
376.08649	0.7
381.23441	1.1
440.34744	0.6
450.30402	0.5
451.23456	8.1
451.32843	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.5
57.03306	2.6
59.01242	68.3
59.02428	1.0
62.01493	0.5
69.03310	0.9
70.84875	0.6
71.01238	30.8
71.02841	0.7
72.50230	0.6
72.99168	1.4
73.02803	12.1
75.00731	0.8
75.68113	0.6
80.72900	0.6
83.01241	7.8
85.02807	19.5
85.99953	1.3
87.00706	3.1
89.02306	3.8
95.01235	3.1
96.95870	24.8
96.96797	1.2
97.02796	1.7
99.00748	4.6
101.02303	31.5
102.95309	0.6
111.00726	5.5
112.01523	1.4
113.01555	1.0
113.02309	16.0
115.02024	0.9
115.02732	1.1
115.03829	1.0
118.94058	2.6
119.03398	0.7
124.01522	1.0
125.02302	4.6
128.03452	0.8
129.01788	2.0
141.01649	1.2
141.68588	0.7
143.03397	3.4
144.81372	1.9
153.86942	0.7
159.02863	3.6
161.04443	8.4
162.97775	0.7
171.07617	0.6
178.96207	5.9
179.05435	0.7
190.02242	0.7
195.11026	0.8
203.40460	0.7
221.03815	0.6
232.09735	0.7
234.13019	0.6
234.70973	0.7
272.15244	0.6
272.53995	0.7
282.50040	0.8
289.16586	4.7
307.17621	11.0
377.18066	0.7
403.19745	1.4
425.10953	3.2
451.21872	100.0
452.22076	4.0
469.22913	51.4
470.23123	2.4
505.47687	0.7
511.23932	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.1
57.03295	2.5
59.00065	1.8
59.01242	73.4
59.02523	1.0
67.17047	0.6
67.42236	0.6
69.03296	1.2
70.99702	0.8
71.01239	33.0
72.99153	1.3
73.02803	14.1
73.46405	0.7
74.85384	0.5
78.24895	0.6
83.01237	9.3
85.02805	19.9
87.00732	2.8
89.02307	4.0
91.72703	0.9
95.01239	3.1
96.95870	21.5
97.02810	2.6
99.00731	5.4
101.02302	29.5
111.00745	5.3
112.01511	1.7
113.01546	1.5
113.02301	17.4
115.03882	1.1
118.94093	4.0
119.03318	1.0
124.01494	0.9
125.02338	5.5
128.03366	1.0
129.01805	1.7
141.01761	0.8
143.03415	5.0
144.81364	1.4
159.02846	3.1
161.04427	10.0
178.33186	0.7
178.96207	3.6
289.16580	4.3
295.27005	0.8
297.41537	0.8
307.17606	11.5
403.19907	1.5
425.10947	3.3
439.13394	1.0
451.21866	100.0
452.22229	3.6
468.96960	0.9
469.22913	52.4
470.23376	1.0
511.24191	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.2
58.99918	1.2
59.01242	100.0
59.02428	2.2
62.98830	0.8
71.01244	10.2
73.02790	1.0
82.76399	1.0
85.02813	3.3
89.02294	10.1
101.02296	6.1
112.94945	0.8
113.02306	4.8
114.88709	0.9
119.03369	3.6
125.71169	1.0
128.03394	1.2
161.04465	2.7
165.09038	1.0
181.23561	0.9
190.35481	1.0
225.91608	1.2
271.17041	2.3
289.18195	1.3
451.23303	3.1
451.32831	1.8
467.22833	2.7
533.33362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46287	0.5
51.22385	0.5
56.59272	0.6
57.03318	1.7
59.00013	1.4
59.01243	100.0
59.02335	1.5
63.14102	0.6
64.49204	0.6
70.57424	0.5
71.01245	9.4
73.02814	3.4
78.95725	1.0
80.20238	0.6
83.04871	0.9
85.02826	2.4
87.00745	1.2
89.02296	8.1
98.47469	0.6
100.60672	0.7
101.02311	6.7
105.27118	0.6
106.27527	0.6
113.02309	3.9
116.97119	1.2
119.03360	3.9
143.03395	0.8
161.04425	1.3
169.07124	0.6
170.64761	0.6
179.05592	0.8
191.53180	0.7
213.12816	0.6
231.13921	1.2
264.17313	0.6
271.17099	2.1
289.18268	0.8
309.97705	0.6
323.77982	0.7
419.22687	0.9
451.23547	3.1
451.32852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00972	0.9
59.01242	11.8
65.97839	0.6
71.01231	4.1
73.02793	1.6
73.15285	0.7
83.01228	0.7
83.04891	0.9
85.02801	1.2
85.52977	0.6
89.02299	5.7
93.60467	0.7
101.02302	5.9
113.02304	2.3
119.03364	1.7
121.32254	0.7
161.04433	2.1
172.79691	0.8
177.16293	0.9
208.84503	0.7
231.21211	4.5
253.09283	19.3
275.20187	100.0
276.20584	2.2
330.89099	0.8
403.93146	0.8
467.54001	0.8
476.18497	0.8
537.33972	0.8
538.31079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13724	0.1
50.13928	0.1
50.39235	0.1
54.34657	0.1
58.02851	0.2
59.00073	0.9
59.01241	44.4
59.02581	0.4
60.01573	0.1
71.40375	0.1
77.07696	0.1
80.04927	0.2
81.03313	3.6
81.03776	0.2
82.06480	0.2
83.02891	0.2
83.04878	12.0
90.39521	0.1
100.07587	0.1
107.06029	0.4
108.04420	0.4
125.07059	1.6
126.05476	0.3
143.08145	0.6
176.04211	0.1
207.14995	1.8
224.17635	2.7
225.16043	8.9
226.16414	0.3
242.18674	0.7
247.06029	0.1
250.15454	0.2
268.16895	0.2
290.22211	0.2
309.21906	0.4
324.26715	0.9
333.22961	2.4
351.23978	0.8
367.27179	1.0
385.28177	0.3
433.31866	5.5
434.31488	0.2
451.32916	100.0
452.33218	4.2
469.22983	0.2
478.34116	0.3
511.34662	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96289	1.0
59.01255	3.1
71.01257	0.8
74.02345	3.4
82.02867	1.9
82.69246	0.9
84.04388	5.0
86.02340	1.0
86.39967	1.2
96.95890	3.3
99.05498	2.2
101.07051	8.5
109.03946	9.5
119.04905	6.4
127.05003	68.8
128.03415	11.6
136.07599	1.0
178.21352	1.1
190.08571	1.4
219.11388	2.6
221.12933	4.5
247.10861	21.7
247.13225	1.2
265.11945	100.0
266.12323	2.3
273.77432	1.1
427.17419	3.5
469.18277	72.2
470.18668	1.4
513.33881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54778	0.6
57.03305	1.2
58.00453	1.6
58.99943	1.1
59.01241	86.2
59.02399	1.8
59.26924	0.9
69.03316	3.8
70.99507	0.9
71.01239	67.3
71.02789	1.2
72.99159	2.2
73.00958	0.7
73.02803	52.2
73.04404	1.1
75.00735	0.8
81.03310	3.3
83.01236	14.5
85.02805	41.6
85.04850	0.8
87.00732	7.5
88.43314	0.7
89.02295	85.1
89.04472	1.1
95.01245	5.5
96.95860	4.5
97.02808	24.8
99.00710	3.9
99.04384	1.6
101.02302	99.4
101.04901	1.6
103.03868	5.9
111.00733	1.5
113.02308	34.8
113.03109	1.7
115.03874	5.7
119.03365	31.5
122.99941	0.9
125.02299	4.8
128.03394	0.9
131.03354	7.3
143.03380	19.3
149.04448	2.7
161.04449	96.2
171.06552	0.8
179.03230	1.1
179.05522	69.6
221.06619	100.0
222.06944	1.4
263.07712	19.8
281.08768	12.1
307.82999	1.1
341.10794	2.5
365.04410	0.9
375.43381	0.8
378.86475	1.0
409.13437	2.6
427.14566	31.8
428.14825	1.4
440.50665	0.8
513.18195	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82536	0.5
57.03317	1.2
57.37255	0.6
58.00463	1.1
59.00074	1.6
59.01240	80.2
59.02537	1.1
62.91582	0.6
67.99945	0.6
70.99693	1.0
71.01238	56.9
71.02972	0.9
72.99177	1.4
73.02803	11.5
75.00713	1.1
83.01239	3.8
85.02805	36.6
87.00730	4.6
89.00122	1.6
89.02295	100.0
91.72732	1.6
95.01240	2.4
99.00712	1.7
100.99712	0.9
101.02302	62.9
103.03854	6.2
111.00727	0.9
113.02302	28.2
119.03367	36.5
120.01144	3.9
121.01450	0.9
122.00697	5.6
123.01047	1.1
125.02309	2.9
128.03378	0.7
131.03403	6.3
134.03633	1.2
143.03381	8.8
149.04413	4.4
151.26373	0.7
154.06131	2.5
161.04443	13.9
171.06566	0.7
178.00887	0.8
179.05525	96.3
189.76938	0.7
221.06624	71.0
266.10187	0.8
281.08740	5.3
305.08719	0.9
338.51657	0.8
341.10959	2.3
382.83810	0.8
427.14572	76.5
428.14661	1.0
454.75729	0.8
469.19153	1.6
478.17508	2.6
492.65524	0.7
512.70227	0.7
513.18207	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34789	0.5
53.84911	0.6
55.01761	0.9
57.32508	0.7
59.00033	1.9
59.01242	100.0
61.98699	1.7
69.03301	1.0
71.01241	33.3
72.99186	0.7
73.01178	1.0
73.02805	68.2
73.04282	1.1
73.04630	0.8
75.00728	1.1
78.19509	0.6
78.93906	0.7
78.95761	34.5
81.03305	0.7
81.89252	0.7
83.01240	17.0
85.02806	3.6
87.00743	0.9
89.02299	9.6
90.94588	0.7
93.81779	0.7
95.01281	1.7
96.95884	1.1
96.96824	9.8
99.00748	0.8
101.02303	50.9
113.02303	15.5
115.81006	0.6
119.03386	4.0
125.02321	1.9
126.98940	0.7
128.03401	1.5
131.03377	4.8
135.04344	0.7
143.03377	4.9
149.04431	4.5
155.03401	1.5
161.04449	10.8
178.18822	0.7
203.05608	1.3
221.06628	1.4
240.02762	1.0
282.03864	21.8
344.09848	1.0
417.91254	0.8
513.16278	0.7
514.20514	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79876	1.0
54.52009	1.3
58.99955	1.2
59.01242	100.0
59.02394	1.5
61.61940	1.1
61.98688	4.6
62.41017	0.9
63.98813	1.0
71.01231	3.8
73.02790	1.3
89.02311	1.5
95.36857	1.2
121.38190	1.2
144.79520	1.2
174.01517	1.5
183.47636	1.6
204.95924	1.4
453.24905	3.2
474.69778	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.5
61.98677	1.8
64.79558	1.2
71.01248	3.6
71.40009	0.9
80.37229	1.0
86.71554	1.0
87.70360	1.1
89.02317	4.4
91.75655	1.1
101.02316	4.3
101.48996	1.0
113.02305	1.4
119.03346	1.1
145.32861	1.2
161.04494	1.6
165.22250	1.3
167.13013	1.0
243.91348	1.3
253.09254	16.4
277.21750	100.0
278.22098	2.6
477.83322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	0.4
59.01246	5.7
61.98681	0.7
63.95725	0.3
66.18503	0.3
66.89285	0.3
68.94260	0.3
69.66508	0.3
71.01244	3.4
73.02790	1.0
75.98892	0.3
83.01229	0.4
85.02815	0.6
87.00710	0.3
89.02296	4.2
93.49285	0.3
99.04530	0.3
101.02310	4.0
113.02323	1.9
119.03349	1.1
133.04913	0.5
135.17752	0.3
143.03348	0.4
152.99452	0.4
154.69853	0.3
161.04471	1.8
179.05495	0.7
200.93304	0.4
233.22704	0.5
233.39397	0.4
235.08261	1.1
235.41905	0.4
253.09270	14.4
275.19995	0.4
277.21738	100.0
278.22006	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83346	0.2
59.00968	0.3
59.01245	3.5
61.98691	3.3
62.96262	0.4
68.79093	0.2
71.01236	0.6
73.02804	0.8
78.93777	1.3
78.95761	100.0
78.97487	1.4
83.04893	0.5
87.12041	0.2
89.02287	0.6
96.94208	0.4
96.95832	0.6
96.96820	26.3
96.99169	0.4
101.02290	0.9
113.02309	0.4
128.03384	0.5
213.48929	0.3
231.15991	0.4
240.02747	4.9
282.03857	57.7
283.04031	0.5
311.12772	0.3
342.05896	0.6
356.06842	0.7
359.09982	0.3
395.11554	0.2
433.38882	0.3
452.55243	0.3
514.20599	31.8
515.20941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69047	0.6
59.01242	46.0
59.02403	1.1
60.01569	1.8
61.98690	9.6
71.00869	1.1
71.01236	11.8
72.01595	0.7
72.99137	0.9
73.02805	24.3
74.02328	1.0
74.03123	1.1
78.95760	100.0
78.97607	1.9
83.01241	4.6
85.02802	2.0
85.86164	0.8
89.02285	3.6
95.01199	0.9
96.95860	1.8
96.96819	25.9
97.56924	0.8
100.66048	0.8
101.02298	20.0
102.02641	1.1
102.05438	1.6
113.02296	5.8
114.01897	0.8
114.02644	1.8
119.03365	1.0
128.03387	1.6
131.03369	1.2
143.03381	1.4
149.04428	0.9
161.04472	4.3
184.99776	0.8
240.02818	4.8
282.03845	54.0
356.07065	1.2
382.58209	0.9
514.20557	31.4
514.26440	1.3
515.21210	1.1
515.31171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06387	0.3
59.01245	3.7
61.98694	4.4
78.94041	1.5
78.95760	100.0
78.97723	1.4
96.95851	0.7
96.96817	27.9
102.05452	0.6
106.07606	0.6
116.47849	0.4
117.11419	0.4
128.03407	1.7
131.87741	0.4
142.26640	0.5
149.79312	0.5
213.49071	0.7
225.85054	0.4
240.02747	4.9
282.03848	56.8
283.04129	0.5
317.46289	0.5
342.05826	0.5
356.06821	1.4
364.18625	0.4
497.56396	0.4
514.20563	30.8
515.20880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78559	0.6
59.00105	1.6
59.01241	100.0
59.02510	1.7
59.17284	0.6
61.98695	2.4
70.54849	0.7
71.01248	3.2
72.02455	0.6
73.02806	5.2
77.85197	0.7
78.95775	0.8
83.01250	1.5
85.02789	1.1
89.02317	1.3
90.34047	0.6
96.95853	4.0
101.02296	4.2
102.05512	1.0
113.02301	1.6
114.48241	0.6
128.03419	1.6
143.03448	0.8
154.84119	0.7
159.98618	0.7
171.07664	0.9
214.95628	0.9
397.75745	0.9
455.22656	1.1
515.27142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83838	0.5
61.98696	2.4
63.94727	1.9
63.96103	100.0
64.96880	3.2
71.23272	0.5
137.73309	0.7
177.09467	78.8
209.16052	0.7
267.52051	0.7
401.69333	2.0
411.26993	0.8
515.32324	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02610	0.2
59.01240	4.2
61.98692	0.5
66.41921	0.4
66.42223	0.3
71.01234	3.3
73.02800	1.1
83.01244	0.6
85.02799	0.6
87.00761	0.4
89.02302	3.5
96.22477	0.2
101.02313	3.3
110.77682	0.2
113.02286	1.5
115.03863	0.3
119.03352	1.0
143.03395	0.4
152.99455	0.5
161.04454	1.5
163.07545	0.8
179.05531	0.6
183.06099	0.3
235.08194	0.8
240.34854	0.3
251.19257	0.3
253.09283	12.1
269.76193	0.3
279.23300	100.0
279.35245	0.9
280.23611	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79588	1.7
53.79520	1.9
59.01239	2.5
61.98692	11.5
66.64545	2.4
71.04874	4.6
81.53445	2.0
92.53519	1.9
99.04374	3.4
109.06437	5.1
113.05948	2.9
123.04376	12.3
123.08016	2.1
127.07532	9.0
130.25760	2.4
136.05190	17.2
137.05959	98.6
137.09695	2.4
150.06721	3.3
151.07539	13.6
153.05441	4.7
155.06987	12.1
165.09114	8.4
186.56894	2.1
193.08601	18.8
208.92781	2.1
211.09769	4.1
281.28543	8.7
307.31723	2.5
323.29620	5.7
341.30603	75.3
419.35358	100.0
461.36319	4.9
479.37503	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	1.4
59.01244	2.3
61.97332	1.5
61.98693	100.0
61.99876	1.4
62.98392	1.5
62.99117	0.6
63.78677	0.1
63.99115	4.3
65.03602	0.1
66.03362	0.3
71.01245	0.6
72.00770	0.2
73.02812	1.4
74.01165	0.2
74.02326	2.8
81.04457	0.2
82.02844	0.2
83.01239	0.4
84.04433	0.2
86.02321	1.4
86.02715	0.2
86.05952	0.2
87.05510	0.4
89.02325	0.2
91.73314	0.2
96.04434	0.2
96.95852	0.3
97.03916	0.4
99.05502	2.9
99.95405	0.2
101.02293	0.9
101.07085	0.4
101.19843	0.1
102.05469	0.6
107.06035	0.2
109.03945	0.7
109.07582	0.2
111.05503	0.2
112.03874	0.2
112.26371	0.2
113.02344	0.2
123.05516	0.4
125.03436	0.4
127.05010	0.7
128.03407	8.7
135.05518	1.0
135.11714	0.3
137.07083	0.2
141.06586	0.6
143.04510	9.9
145.06056	0.4
146.04468	1.0
153.06587	0.7
155.08255	0.2
161.04416	0.3
165.09129	0.6
166.09784	0.3
167.04517	0.3
167.08182	0.6
170.03194	0.3
179.04539	2.6
181.06134	0.3
184.10815	0.2
185.05583	0.2
192.07683	0.3
197.05621	0.3
209.11729	0.4
210.08794	2.6
228.09903	0.2
243.10611	0.4
250.14526	0.3
254.07835	5.3
272.08902	6.7
294.13516	0.4
387.16119	1.5
455.33945	0.2
498.19312	2.1
516.20355	12.0
517.20758	0.2
519.65704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28019	0.2
52.10208	0.3
61.98682	0.4
78.95763	2.1
79.95588	2.5
85.44378	0.3
96.93404	1.6
96.95869	100.0
96.96753	4.8
96.98660	0.9
147.33659	0.3
149.00636	0.3
152.03743	0.3
171.82112	0.3
376.22098	0.4
467.19437	0.3
489.14935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1566
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
50.35519	0.6
59.01237	4.2
60.30218	0.8
60.97772	0.7
71.01238	3.1
71.26942	0.7
73.02813	0.8
78.95750	0.8
83.01215	0.9
85.02812	1.6
87.00761	1.0
89.02295	3.1
91.17917	0.8
96.95864	2.0
101.02311	3.0
113.02290	2.3
119.03365	2.0
121.02824	1.8
128.03413	10.7
130.08626	2.9
133.02853	2.2
134.03609	65.4
137.02304	7.7
139.03896	2.4
149.05963	16.7
150.03139	0.9
161.04459	1.7
178.02621	36.7
179.05542	1.2
180.10692	0.8
193.04987	100.0
201.91618	0.8
226.23672	0.8
245.06740	1.0
323.09894	4.4
370.16028	1.0
517.15564	8.3
517.22058	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1565
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
59.01241	3.5
74.14888	0.9
81.42149	1.0
82.06039	0.9
82.38721	0.9
84.04472	0.8
84.68172	0.8
89.02316	0.9
96.95842	1.4
101.02290	1.0
112.03937	0.9
128.03412	4.4
132.29207	1.0
133.02855	1.9
134.03610	46.5
137.02328	8.5
149.05966	13.3
152.13576	0.9
178.02632	33.3
193.04994	100.0
194.05246	1.0
379.96289	1.1
515.84564	1.2
542.87958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45712	0.3
59.01236	1.5
64.06802	0.5
65.26084	0.3
67.05355	0.3
69.02118	0.3
69.20364	0.3
71.01250	2.4
71.02366	0.6
72.00767	17.8
87.00739	3.5
89.01253	1.5
89.03423	100.0
89.05879	0.8
89.47796	0.4
96.27399	0.3
115.00237	6.2
115.01362	8.4
131.07404	0.3
131.08147	7.5
131.09087	0.8
132.00093	1.1
132.04030	86.2
132.08327	1.9
158.01988	1.3
174.01579	0.8
174.08754	2.0
175.02377	13.9
175.04643	42.7
175.11214	0.5
181.21016	0.4
214.23650	0.5
479.09549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34411	0.3
56.71769	0.2
57.09068	0.4
57.09332	0.3
68.71409	0.2
73.25986	0.3
82.02840	3.4
84.04408	2.0
84.08020	0.3
89.45617	0.3
100.03845	0.3
102.05460	0.6
109.03960	0.9
109.07574	0.4
109.96744	0.2
110.02286	0.5
112.03909	0.9
123.05457	0.3
127.05016	2.9
127.99654	1.2
128.03409	100.0
128.07550	0.9
129.01810	0.3
129.03731	0.5
130.08615	24.8
134.03604	0.9
138.19077	0.3
141.10208	1.0
142.87077	0.3
145.05972	0.4
146.04512	0.4
149.05989	0.3
151.08670	0.6
160.21684	0.3
163.97258	0.3
165.05696	0.3
169.09732	0.5
171.14932	0.3
178.02657	0.9
179.11679	0.5
184.00284	0.2
193.04993	2.1
195.07664	0.7
197.11139	0.5
197.12886	6.3
199.74965	0.3
213.12318	0.3
215.13971	0.5
223.10883	2.1
238.08455	0.3
239.06726	3.9
241.11926	11.1
259.13007	8.3
259.15775	0.3
282.18274	0.3
294.00162	0.3
308.16144	0.3
325.25415	0.3
326.17050	0.5
334.65237	0.3
352.15152	1.5
370.16248	6.8
388.17310	8.9
481.19492	2.0
499.20474	5.5
507.10843	0.5
517.21533	25.6
518.21625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80971	0.2
55.72836	0.2
56.12317	0.2
57.09053	0.4
57.09306	0.2
59.01225	0.2
66.62294	0.2
70.90659	0.2
74.02333	0.4
79.21915	0.2
82.02839	3.4
83.05996	0.3
84.04403	2.3
85.17300	0.2
96.95875	0.5
98.02358	0.3
101.07069	0.3
102.05499	0.3
109.03944	0.8
109.07594	0.4
110.02318	0.4
112.03919	1.1
127.05022	2.5
127.99466	1.3
128.03409	100.0
129.03780	0.5
130.08614	25.9
133.50883	0.2
141.06589	0.2
141.10217	1.3
146.04459	0.4
150.43478	0.2
151.08664	0.5
169.09767	0.6
169.13335	0.3
171.14833	0.5
178.02623	0.3
179.11798	0.8
180.55032	0.2
181.73726	0.2
195.05962	0.2
195.07703	0.8
197.12888	7.0
213.12392	0.3
215.13924	0.5
223.10814	2.1
238.08444	0.3
239.06711	3.7
241.11917	10.9
259.13007	7.8
308.16284	0.5
352.15244	1.4
370.16235	7.3
388.17279	10.0
481.19507	2.2
499.20490	6.1
507.11417	0.3
517.21545	25.4
518.21844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76948	1.2
57.03312	1.5
59.00095	1.8
59.01244	100.0
59.02505	1.5
59.08629	1.5
60.35241	1.5
66.17051	1.4
71.01244	27.1
72.99152	1.5
73.01238	1.7
73.02808	58.6
77.21376	1.6
83.01243	13.4
85.02821	5.0
89.02290	9.5
89.38696	1.8
96.95892	2.8
98.99320	1.5
101.02306	50.8
113.02306	15.9
119.03348	7.4
125.02267	2.1
128.03401	6.5
131.03377	6.2
135.24730	1.5
143.03368	6.1
149.04454	7.8
155.03407	3.7
161.04460	14.9
203.05719	2.3
221.06683	4.9
245.84903	2.1
249.05385	1.7
290.49881	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33937	0.6
58.62748	0.6
59.01244	4.4
61.98708	0.8
65.22879	0.6
69.86590	0.6
71.01227	2.9
71.29320	0.6
74.53407	0.6
85.02814	0.8
89.02287	2.7
100.37965	0.6
101.02314	3.4
113.02289	2.0
118.42911	0.7
119.03354	1.2
127.84386	0.7
137.97954	0.8
152.99474	1.1
161.04503	1.4
167.33305	0.7
253.09291	12.1
281.24869	100.0
282.25214	2.3
435.24985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61964	0.8
58.19736	0.6
59.01242	24.2
61.66739	0.8
61.98693	100.0
61.99986	1.4
71.01243	5.5
73.02805	12.3
83.01223	3.5
85.02814	0.9
89.02312	2.4
92.54172	0.7
96.95873	1.9
101.02302	12.1
113.02301	4.4
119.03371	1.2
125.91916	0.7
128.03439	2.7
131.03409	1.6
143.03409	1.9
146.66190	0.7
149.04489	2.5
161.04517	3.5
205.16968	0.7
205.47929	0.7
213.59271	0.7
220.85466	0.8
221.06676	1.3
236.97163	0.7
333.22415	1.0
458.48969	0.9
465.01663	0.9
518.30225	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28189	0.2
52.52694	0.2
66.03316	0.3
71.12292	0.3
72.10460	0.3
74.02339	0.5
80.80383	0.3
81.20213	0.3
82.02831	2.5
82.75777	0.3
84.04407	1.3
96.95860	0.7
101.18958	0.3
107.30107	0.3
111.54636	0.3
112.03912	1.0
126.09223	0.3
127.05004	1.2
127.99625	1.1
128.03406	100.0
128.10638	0.5
129.03740	0.5
130.04738	0.8
130.08609	66.7
131.08978	0.5
132.53384	0.3
141.10251	1.4
151.08612	0.9
153.10204	0.5
155.73312	0.3
167.11902	0.4
169.13268	0.4
171.14975	0.4
179.11804	2.8
193.05035	0.8
194.05223	0.4
197.12883	10.7
204.89319	0.3
223.08591	0.5
223.10831	8.8
241.11923	21.1
259.12994	68.4
260.13376	0.9
467.33511	0.4
534.17419	0.4
538.88806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37781	0.4
75.99397	0.5
82.02837	2.4
84.04419	1.2
85.98544	0.5
96.04386	0.6
96.95892	1.1
112.03899	0.8
119.41070	0.6
123.04365	1.4
127.04979	0.8
128.03410	100.0
130.08614	66.5
130.12582	0.8
133.02841	0.7
141.10242	1.7
151.03908	7.9
151.08661	0.8
153.10201	0.8
153.53929	0.5
179.10448	0.7
179.11848	3.4
197.12891	9.8
223.10828	9.0
241.09444	1.0
241.11920	20.0
253.38179	0.6
259.13007	66.3
379.14066	0.6
424.78949	0.6
472.27582	0.6
475.99509	0.6
519.13672	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04246	0.6
57.03313	1.1
59.01244	1.0
72.78364	1.0
75.57902	0.8
82.02838	5.4
84.04395	6.8
86.02334	3.1
92.78023	0.7
95.03088	0.7
96.95860	1.5
98.82323	0.8
100.56219	0.8
102.05461	3.5
109.07575	2.3
110.02376	1.1
120.01126	2.8
120.19477	0.9
127.05013	3.5
127.08608	5.0
128.03406	100.0
128.07404	1.2
129.03725	1.2
129.09096	2.9
130.08652	1.3
146.04468	3.6
153.06593	10.0
171.07652	18.0
180.66772	0.9
192.40446	0.9
195.07683	3.6
197.05687	1.1
215.06709	1.4
231.04466	8.8
239.06779	2.0
240.49152	0.9
241.13388	1.1
249.05476	9.2
264.09940	2.3
282.10989	4.2
296.29108	0.9
300.11996	2.3
342.07779	1.5
344.11026	11.5
360.08731	6.9
378.09787	31.0
396.87451	1.0
414.16714	1.4
458.15573	2.0
476.17743	2.4
520.19794	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52043	33.2
55.09409	37.5
59.01231	100.0
59.75702	32.5
249.18491	53.0
338.63882	54.0
394.92303	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.9
56.70885	0.5
57.03316	0.7
59.01242	22.8
61.02209	0.6
67.79459	0.5
69.03291	0.7
71.00876	0.9
71.01238	10.6
71.04871	1.7
72.99160	0.9
73.02807	4.3
83.01234	2.4
85.02788	4.1
87.00739	3.8
88.54039	0.9
88.54506	0.6
89.02306	1.5
95.01231	0.9
99.00756	0.9
101.02306	4.8
104.83517	0.5
109.58110	0.5
112.01568	0.7
113.02332	3.5
125.02318	1.4
140.37779	0.7
151.26079	0.6
155.14311	2.1
177.89081	0.7
199.13272	0.8
255.19661	5.1
273.20718	33.2
399.23715	0.6
417.19489	1.0
417.24976	15.5
418.25967	0.7
435.25980	38.1
436.26288	1.7
439.28220	0.7
446.48428	0.8
477.27081	100.0
478.27341	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89888	2.2
53.21322	2.1
59.01233	4.4
63.72625	2.3
78.95759	12.6
80.12264	2.3
80.51715	2.6
84.33550	2.3
136.05182	3.9
138.15762	2.8
167.14374	3.4
176.21753	3.2
193.15912	7.1
212.65958	2.8
214.04765	3.8
249.18588	38.7
275.16586	26.0
281.21338	5.5
293.17627	86.6
325.20209	100.0
522.24817	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00111	1.4
59.01242	77.9
59.02483	1.0
67.95470	1.0
69.03294	1.1
71.01237	26.3
73.02805	53.0
83.01231	12.4
84.15789	0.9
85.02806	100.0
85.04961	1.3
89.02299	8.7
96.95874	1.9
99.00708	1.1
101.02304	53.4
103.03864	7.6
113.02309	10.7
115.00208	1.1
119.03379	5.4
125.02294	1.8
126.33533	1.4
131.03378	4.2
143.03387	4.5
148.17459	1.0
149.04451	10.3
155.03386	1.2
155.10654	1.2
161.04465	19.6
171.06503	12.4
199.09674	1.8
203.05525	2.8
221.06596	9.4
272.65430	1.6
307.10382	40.0
324.68518	1.4
393.14096	6.2
441.96481	1.4
479.18091	1.4
479.24731	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29505	1.5
59.01228	1.5
63.39421	1.8
74.84124	1.8
82.02855	4.4
82.54914	1.8
84.04405	4.4
96.95894	3.1
101.07048	2.9
109.03944	6.9
109.57607	1.8
113.02175	1.9
115.20596	1.6
119.04887	28.3
127.04999	28.0
127.99254	1.9
128.03409	100.0
163.03894	32.4
194.09283	4.0
195.07706	2.4
212.10419	5.8
221.12982	2.8
235.68968	2.3
247.10869	9.8
265.11908	28.6
270.93054	1.9
332.15933	3.3
358.14093	3.1
376.15079	19.5
381.73682	2.6
394.16452	11.1
401.72836	2.4
426.54279	2.0
447.63202	2.1
487.18744	3.7
505.19409	9.6
523.20398	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00802	49.7
54.57500	47.3
59.01234	100.0
131.56604	57.3
222.90111	68.9
251.20178	85.3
401.76343	81.2
523.26465	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	14.7
71.01225	1.9
72.67593	0.4
73.02797	1.1
82.93745	0.4
83.01214	0.4
88.42621	0.4
89.02296	2.4
101.02303	2.5
102.45916	0.5
113.02271	0.8
113.99428	1.2
114.80595	0.4
119.03358	0.6
133.04933	0.5
156.00499	1.8
161.04413	1.1
174.01605	8.9
174.03084	0.6
227.20122	100.0
228.20467	1.8
235.08221	3.2
245.41835	0.4
253.09271	11.1
371.01120	0.5
384.70737	0.6
423.27957	0.5
463.27966	1.0
472.38290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27633	0.3
59.01214	0.4
71.11719	0.3
79.95594	2.0
84.50010	0.3
96.95866	100.0
96.98426	1.5
116.92698	0.8
123.29804	0.3
135.04398	4.4
179.03424	6.9
200.11362	0.4
205.11359	0.3
234.99239	1.3
241.55988	0.4
277.00269	2.3
383.09961	0.8
421.04477	1.0
525.20392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	100.0
67.64924	66.6
82.55907	73.5
84.68401	70.5
98.03996	78.7
98.47676	70.3
121.24509	80.8
204.17963	90.8
253.35925	89.7
274.01910	79.8
294.12244	90.5
333.27237	90.5
339.07748	89.9
339.12018	98.2
351.44025	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3072
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
51.56648	1.4
54.71197	1.3
56.78938	1.4
56.84697	1.5
59.01243	100.0
61.98703	1.9
65.90213	1.3
71.01232	4.0
78.19074	1.5
89.02308	7.0
91.72797	3.5
91.73321	2.4
101.02333	3.6
113.02286	3.8
117.20232	1.6
120.87276	1.6
150.12848	1.6
150.22942	1.8
161.04445	4.9
465.28806	6.7
465.92548	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69166	0.4
57.15330	0.4
59.01235	1.7
78.93867	1.5
78.95761	100.0
79.52005	0.4
84.09942	0.4
88.14617	0.4
90.43394	0.4
96.96823	25.4
97.35912	0.3
99.58378	0.4
120.70967	0.4
210.36024	0.6
240.02733	4.6
282.03857	56.9
356.06860	1.7
373.53125	0.5
526.24231	21.6
527.24701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38302	0.6
51.50763	0.6
54.97290	0.7
57.03317	0.8
59.01243	49.3
61.98684	0.9
69.03326	1.6
71.01237	18.1
73.02802	16.6
73.03201	1.1
73.83678	0.7
83.01235	4.2
85.02815	6.8
87.00733	1.2
89.02299	10.4
95.01244	1.7
95.04898	1.2
96.95879	2.0
99.00756	1.3
101.02304	17.5
113.02301	6.6
119.03336	4.0
121.94870	0.8
128.03442	1.0
134.34642	0.8
143.03459	1.0
150.34868	0.9
161.04509	1.8
161.94423	0.8
173.23100	0.8
176.05910	0.8
194.15538	0.8
253.65424	0.9
261.14999	6.6
308.31683	0.9
423.20218	5.4
441.21268	14.5
483.22369	100.0
484.22589	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22099	2.1
54.47989	2.3
56.48071	2.2
59.01243	100.0
71.01236	19.1
73.02802	35.2
77.26550	2.7
79.41670	2.5
83.01243	7.3
85.02800	2.8
89.02304	9.1
96.59180	3.4
96.95857	7.6
101.02306	39.0
113.02313	11.7
124.98943	2.8
126.32068	2.8
131.03413	2.9
136.18898	2.9
143.03510	3.5
149.04472	5.0
159.64088	2.9
161.04469	8.3
175.14828	5.4
251.27940	3.4
261.15063	6.0
321.17310	4.1
423.20377	4.8
483.22253	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72971	1.4
59.01242	48.4
71.01232	8.4
73.02801	5.1
75.00724	5.4
85.02809	7.5
87.00728	1.7
91.72740	1.7
99.00692	1.9
101.02298	7.4
113.02339	3.2
133.06464	5.3
221.15407	40.2
237.09230	1.7
365.19809	11.2
383.20746	37.1
425.21594	2.7
441.21494	6.5
467.30627	2.5
483.22391	100.0
484.22601	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37668	0.4
57.03310	0.6
59.00006	1.8
59.01242	100.0
59.02331	1.1
63.57232	0.5
71.01240	16.7
72.99181	0.8
73.02803	6.3
83.01234	2.8
85.02797	5.9
87.00729	0.5
89.02297	14.5
95.01272	0.6
96.95874	0.8
99.00768	1.2
99.25719	0.4
101.02302	13.9
101.02956	0.9
102.66560	0.4
113.02305	7.1
117.78053	0.4
119.03375	4.8
125.02301	0.6
128.03409	0.8
129.20575	0.5
139.44180	1.3
143.03430	1.8
143.04510	0.8
161.04437	4.1
179.05582	1.9
197.05554	0.5
272.08984	0.9
397.22314	8.8
439.23367	1.1
441.21426	2.0
483.22372	41.6
484.23038	1.1
527.21881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24144	60.8
59.75083	58.5
84.52746	73.8
102.30077	74.2
242.02689	86.3
317.51685	100.0
319.19766	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	94.4
73.09025	45.1
76.92994	40.0
111.54578	41.9
176.39886	42.4
205.19727	49.1
251.50400	58.1
255.23328	100.0
345.77435	58.3
413.71146	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
59.00028	1.9
59.01242	100.0
63.57601	0.8
68.50912	0.5
71.01244	4.1
71.80475	0.4
73.02802	1.6
75.00746	0.5
83.01243	0.6
85.02807	2.6
87.59924	0.4
99.63129	0.4
101.02301	4.4
101.62666	0.4
113.02313	2.6
128.03474	0.5
139.77071	0.4
142.00822	0.6
157.01465	0.5
159.02919	0.7
159.99013	0.4
161.04431	3.9
204.13564	0.5
221.15497	0.8
227.39493	0.5
255.14970	0.5
263.36606	0.5
467.30115	11.9
468.30713	0.7
483.22321	2.9
494.75552	0.5
527.32666	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00007	2.1
59.01244	100.0
59.02342	1.6
65.55704	1.1
66.02441	1.0
71.01239	3.5
73.02802	1.8
85.02828	1.4
99.00713	1.2
101.02316	4.1
113.02335	3.3
115.49782	1.1
124.14249	1.2
131.32220	1.2
161.04475	3.7
169.78247	1.1
398.73242	1.2
467.30136	10.7
527.32861	2.1
542.08569	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.1
58.99997	1.8
59.01241	100.0
59.02320	1.4
60.01578	0.3
64.19712	0.1
69.03307	0.1
71.01240	4.3
72.99159	0.1
73.02803	1.7
75.00715	0.1
75.81080	0.1
83.01234	0.7
83.63160	0.1
85.02808	2.4
87.00733	0.2
89.02306	0.3
90.34329	0.1
95.01249	0.3
97.02835	0.2
99.00729	0.7
101.02302	3.8
113.02312	2.1
125.02305	0.2
143.03394	0.2
159.02890	0.6
161.04451	4.3
167.92444	0.1
172.73970	0.1
281.35516	0.1
467.30157	9.8
468.30450	0.4
484.68478	0.1
527.32263	2.2
528.32782	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85083	0.8
59.01242	100.0
59.02399	1.7
59.93093	1.0
60.34491	0.9
65.92025	1.0
69.99599	1.1
71.01241	6.3
73.02821	1.6
83.01269	1.4
85.02808	3.7
87.71516	1.0
99.00718	1.1
101.02316	6.2
113.02311	4.0
114.84833	1.1
121.56468	1.0
125.10435	1.1
131.11211	1.2
131.44743	1.0
143.16309	1.0
161.04488	7.0
181.55089	1.2
243.18893	1.2
250.35654	1.2
313.97855	1.4
339.93051	1.6
467.30215	19.2
527.32605	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35212	0.5
59.01242	2.2
62.05999	0.6
72.99153	1.6
74.98976	1.3
75.00730	100.0
83.04876	0.9
89.41561	0.6
95.51678	0.6
96.95866	5.0
109.60451	0.6
128.03368	1.6
132.68581	0.6
237.18297	0.7
263.67682	0.7
429.97562	0.8
451.32684	1.3
467.32468	5.2
554.96399	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09685	0.8
55.12268	0.8
57.43352	0.7
59.01240	5.4
61.98686	2.1
69.11482	0.9
78.95756	10.2
80.33688	0.8
85.35620	0.8
95.93739	1.1
96.96869	1.1
114.31270	1.1
126.88844	1.0
151.31473	1.1
152.99535	1.6
163.28584	0.8
168.04243	2.0
171.27963	0.9
175.42448	1.0
205.19557	1.6
224.06761	1.3
236.75691	0.9
242.07944	6.0
259.18359	1.1
259.24307	5.4
295.41434	1.2
303.08728	1.2
303.23300	100.0
304.23654	2.1
528.30988	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.2
59.01249	0.5
66.19235	0.2
71.01228	0.6
72.26087	0.2
72.99165	0.9
73.02808	5.6
75.00720	0.8
87.00728	7.6
93.03312	1.1
99.76751	0.2
114.04075	0.2
117.01804	14.5
117.03231	1.6
119.01338	1.1
119.04890	87.6
120.05196	1.3
135.02853	3.4
145.02841	10.5
153.37186	0.3
162.98232	1.0
163.03902	100.0
164.04256	2.3
180.49258	0.2
205.05008	0.6
219.06541	0.8
221.04451	0.4
236.80801	0.3
237.07549	1.1
245.04497	0.4
263.05600	1.1
281.06689	0.4
325.09253	0.7
355.82227	0.3
367.10379	9.8
368.10876	0.4
425.10706	0.6
439.28925	0.3
443.11981	3.1
485.13052	15.7
486.13214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55233	0.2
59.01237	0.3
73.02782	0.4
75.00739	0.2
86.52808	0.2
87.00740	0.3
87.78462	0.2
91.73309	0.2
93.03264	0.5
117.01801	0.6
119.04894	100.0
119.08244	1.3
120.05238	1.3
133.06442	0.2
135.02898	0.3
145.02930	0.2
163.03909	99.1
163.09293	1.1
164.04236	1.6
166.14670	0.2
176.04620	0.2
198.58894	0.3
325.09271	0.5
367.10361	8.8
374.88538	0.3
443.11923	0.5
485.12946	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54201	0.1
51.46826	0.1
52.46660	0.1
56.07074	0.1
58.00439	0.1
59.01242	3.6
59.60000	0.1
71.01240	1.8
72.99165	1.5
73.02805	1.0
74.99124	0.3
75.00731	21.6
75.02577	0.3
76.01075	0.1
76.66234	0.1
78.84130	0.1
83.01247	0.1
85.02824	0.1
85.45502	0.1
87.00741	0.3
89.00159	0.1
89.02298	5.1
92.05703	0.1
92.81426	0.1
93.03305	0.5
96.95877	0.2
99.00754	0.3
100.90828	0.1
101.02307	0.5
105.68684	0.1
107.72658	0.1
117.01811	2.5
117.03300	1.4
118.04109	0.8
119.01675	1.2
119.04891	100.0
119.08591	1.1
120.05225	1.1
121.02821	1.4
123.04395	0.2
128.03398	0.3
131.04880	0.5
133.02843	0.5
133.06470	2.1
134.03612	0.2
134.98978	1.1
135.02869	94.9
135.07324	1.0
136.03230	0.7
141.06976	0.3
143.04907	0.4
145.02818	1.2
146.03619	0.1
147.04398	1.6
159.04501	0.1
161.05978	1.2
162.03131	1.3
162.98746	1.0
163.03903	94.6
163.09831	0.9
164.04228	1.3
175.03912	0.3
176.04686	1.6
177.05496	0.5
185.06029	0.4
193.04887	0.1
205.05003	15.5
206.05365	0.3
219.06523	0.2
229.05046	0.2
235.51025	0.1
247.06116	0.2
281.06686	11.8
281.19739	0.1
282.07037	0.1
307.08325	0.4
311.43491	0.1
323.07733	3.5
339.09152	0.3
367.10367	17.2
368.10519	0.4
410.56708	0.1
443.11987	0.3
485.13031	2.4
486.13507	0.1
487.96494	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	87.4
61.98693	2.1
63.61934	1.2
68.82169	1.2
71.01238	18.4
71.04880	3.0
73.02805	24.2
74.79489	1.1
74.80090	1.2
83.01245	3.8
85.02797	3.6
85.06455	1.3
86.87902	1.2
87.00768	1.9
89.02298	11.1
91.73402	2.9
94.77911	1.3
96.95872	13.7
99.00755	2.7
101.02310	22.6
104.70705	1.2
113.02306	6.7
115.03873	11.8
116.97117	35.9
119.03402	3.3
119.04905	10.2
124.04549	1.2
127.03825	1.6
128.03407	2.1
128.97153	2.4
139.13129	2.3
143.03424	1.8
146.84581	1.2
149.04593	1.6
163.03886	11.5
176.99335	2.0
244.86974	1.9
263.16544	10.5
425.21838	2.0
433.17023	3.4
443.14536	4.0
443.22940	12.2
485.24008	100.0
486.24405	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	9.4
59.41827	1.3
71.01225	2.3
73.02821	1.3
82.02842	1.6
84.04384	3.5
91.87665	1.3
102.05466	23.1
107.89066	1.3
119.04881	1.7
128.03409	62.1
146.04436	7.7
148.73892	1.3
163.03894	3.7
167.00699	1.4
209.19029	8.6
252.19730	2.2
253.18074	19.1
271.19189	29.9
294.24445	5.4
319.92514	1.7
338.23431	3.1
339.67685	1.6
356.24106	3.1
382.22324	4.3
400.23404	14.9
511.26682	4.2
529.27710	100.0
529.59009	2.0
530.28302	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28704	1.3
61.98698	15.3
67.67562	1.3
68.24314	1.5
70.04865	1.4
80.33035	1.4
96.95876	2.5
119.52580	1.7
126.81158	1.6
137.09608	6.4
153.09102	6.6
155.10669	52.8
170.87657	1.9
171.10181	33.8
173.63858	1.8
199.09642	17.5
217.10779	22.0
255.23296	49.2
255.25815	3.4
259.53107	1.7
273.13474	11.3
291.14481	20.8
419.37839	2.4
529.37524	100.0
530.37952	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33774	0.2
59.01243	11.8
60.01580	1.4
61.01674	1.2
61.97237	0.9
61.98694	100.0
61.99944	1.9
71.01250	0.7
82.80383	0.2
85.02798	0.2
96.95908	0.4
101.02310	0.4
101.03157	0.2
113.02286	0.2
122.88342	0.2
128.03452	0.6
161.04494	0.4
244.00333	0.3
253.33990	0.2
469.30804	0.6
470.31360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
73.90045	0.3
73.92699	0.3
77.36165	0.3
78.95760	16.8
78.97712	0.4
85.37954	1.0
85.38477	0.8
94.21659	0.3
94.41166	0.3
96.96786	0.4
110.26148	0.4
152.99455	3.0
157.98441	0.5
168.04224	3.1
176.44452	0.4
224.04964	0.2
224.06903	7.3
242.07962	1.8
255.13095	0.9
255.23293	100.0
256.23633	1.3
266.43497	0.4
399.89249	0.4
464.76544	0.4
480.30966	56.7
481.31277	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37593	2.7
57.03301	3.8
59.01239	97.2
71.01237	86.5
72.99181	4.2
73.02796	13.9
74.79686	3.2
78.18039	3.1
81.03316	4.5
83.01231	13.9
83.18542	3.2
85.02808	60.4
87.00744	6.5
89.02290	41.1
93.03319	7.7
95.01258	8.6
96.95879	11.7
97.02820	9.6
99.00737	59.6
99.04356	4.8
101.02294	47.7
108.02078	6.7
109.02831	14.2
113.02309	69.3
115.03846	3.3
116.03474	3.5
116.92731	30.1
119.03382	17.8
119.04908	10.3
120.05299	3.3
121.02782	4.6
122.03600	52.8
123.04388	100.0
125.02332	17.0
137.02330	16.4
143.03389	48.9
155.03401	11.7
161.04488	22.7
163.03961	9.2
164.04190	6.0
165.04362	4.7
166.12437	3.0
176.00960	3.5
179.05537	13.7
185.41920	3.1
203.05573	20.8
227.05499	4.6
234.86494	3.3
241.12128	3.7
245.06694	4.9
266.62558	3.0
279.85840	3.6
323.09793	26.9
327.10782	13.9
365.10880	33.1
371.51886	3.8
389.27325	3.8
447.15158	18.8
489.16269	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71363	1.2
55.01752	2.2
57.03329	2.3
59.00056	1.6
59.01243	100.0
61.98687	1.5
69.03307	3.5
71.01241	67.1
72.99170	4.7
73.02809	7.9
81.03318	1.7
83.01249	6.8
85.02811	19.3
85.39571	1.3
85.93932	1.5
87.00751	3.7
89.02297	51.2
92.28748	1.7
95.01257	5.8
96.95905	2.9
97.02814	8.7
99.00742	7.0
99.04361	1.7
101.02305	35.8
107.62540	1.4
108.02033	2.8
109.02814	9.6
111.00722	3.0
113.02311	28.4
113.03078	1.8
119.03375	24.0
119.04165	2.2
120.01117	4.1
121.01965	1.5
121.02843	4.5
122.03605	19.1
123.04394	30.9
124.01517	14.9
124.32641	1.5
125.02314	29.0
127.03918	2.0
139.03891	4.5
141.99304	7.4
143.03395	12.7
149.04491	2.9
161.04448	20.4
167.03386	3.6
177.98087	1.6
179.05560	9.8
203.05589	3.7
221.06744	2.7
231.06613	10.1
245.06668	25.6
249.07741	6.0
255.07259	1.7
263.07761	6.2
263.20590	1.6
287.07684	3.0
305.08786	8.9
323.09784	5.5
327.10895	3.1
365.10919	14.3
411.12799	2.2
429.14056	11.3
447.15115	11.3
489.16125	28.5
516.82135	2.1
551.16034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2008
Annotation	piperaquine
Peak:m/z	Relative Intensity
52.30852	1.9
56.74630	1.7
57.03297	2.8
58.00468	2.0
59.00968	3.2
59.01241	36.6
62.62431	1.9
64.87313	1.5
70.08925	1.9
71.01244	34.2
72.99167	2.6
73.02798	5.5
73.14486	1.7
75.00721	3.3
83.01014	9.2
84.02024	2.7
85.02795	13.6
87.00713	3.6
89.02325	2.1
91.72766	3.7
95.01253	3.0
99.00557	6.7
101.02323	8.3
101.64761	2.3
112.01525	8.2
113.02305	27.5
141.01576	65.3
147.48224	2.0
153.01572	15.3
158.31590	1.9
166.99506	7.0
183.02658	24.1
186.23650	2.3
195.02718	3.6
201.03798	4.8
201.16437	13.3
327.15784	3.6
429.18869	12.5
445.22833	3.2
447.20023	100.0
448.20282	4.3
465.20328	2.4
489.21063	15.6
489.27264	3.8
491.18954	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60839	0.2
57.03317	0.6
58.99992	0.5
59.01241	30.0
59.02361	0.5
60.01565	0.3
61.97334	1.5
61.98692	100.0
61.99863	1.3
63.68776	0.2
65.19187	0.3
69.03307	0.3
70.42375	0.2
71.01237	7.6
72.83023	0.2
72.99170	0.5
73.02804	15.5
74.32258	0.3
75.00749	0.2
75.53480	0.2
78.78990	0.2
79.84138	0.2
81.03311	0.3
83.01237	3.6
84.25084	0.3
85.02798	1.3
87.00779	0.3
88.38974	0.2
89.02293	2.8
96.95866	0.5
97.02786	0.4
99.00754	0.3
101.02302	15.2
107.04908	1.1
113.02296	4.1
119.03397	1.5
125.02321	0.4
128.03406	0.7
131.03368	1.6
135.08141	0.3
143.03371	1.5
149.04500	1.3
149.05959	1.1
155.03464	0.4
161.04468	3.2
163.11218	1.2
171.48839	0.2
177.12726	0.3
187.11275	1.1
203.05553	0.5
205.12270	13.4
221.06743	0.4
223.13460	0.9
273.71747	0.2
399.78360	0.3
434.93484	0.3
445.52649	0.3
534.29156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65718	0.1
55.63012	0.1
59.01242	1.3
71.01239	0.5
73.02802	0.5
79.95584	1.9
83.01246	0.2
85.02805	2.1
85.13882	0.1
90.98429	0.2
96.93046	1.0
96.95867	100.0
96.98325	1.6
101.02305	0.8
103.03910	0.2
113.02299	0.4
114.93275	0.9
118.96485	0.4
128.03426	0.8
131.53223	0.1
132.98088	0.2
134.03612	0.2
146.96025	0.3
158.99713	0.3
160.97540	0.3
161.04494	0.4
163.22935	0.2
174.99152	0.4
188.05182	0.1
193.04977	0.4
193.16869	0.2
194.54050	0.1
201.00764	1.4
219.01790	1.1
221.06607	0.2
243.01891	0.6
255.01836	0.4
269.03403	0.3
307.10352	0.5
323.15204	0.2
329.05542	1.8
341.05682	0.4
371.06738	0.3
393.13934	0.3
431.71411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48627	0.5
59.01237	1.2
62.58436	0.6
65.03841	0.7
66.95766	1.0
75.25297	0.6
80.91547	3.2
82.93177	1.4
82.95270	100.0
82.97157	1.1
83.02359	3.4
93.03300	3.8
94.26423	0.6
104.57658	0.6
105.42614	0.6
107.01232	0.9
109.02812	4.0
121.02789	3.0
128.03406	1.3
135.04411	2.8
137.02325	6.6
138.53427	0.6
151.00244	1.4
164.00987	1.0
165.01833	79.9
166.02203	0.9
227.41560	0.7
277.91809	0.7
287.05634	29.2
288.06180	1.1
348.50949	0.8
387.89813	0.8
449.11234	0.8
491.11948	21.6
492.12112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00966	2.0
59.01241	27.9
61.18457	1.1
61.98706	1.4
63.84620	1.0
65.69205	1.0
67.80461	1.0
69.03316	1.3
69.90222	1.2
71.01247	13.4
72.99142	1.7
73.02802	4.1
83.01240	2.2
83.04885	1.3
85.02808	5.7
87.00729	4.4
89.02293	2.8
99.00757	1.4
101.02305	7.9
106.28891	1.3
112.01515	1.9
113.02306	4.8
124.01549	1.5
127.66315	1.1
128.03470	1.2
227.16528	3.1
240.41013	1.5
269.21274	6.7
287.18951	2.8
287.22272	39.2
301.23761	1.5
329.23212	2.0
388.27646	1.5
428.35422	1.4
431.26492	20.2
449.27594	46.0
450.28433	1.6
452.76312	1.3
491.28653	100.0
492.28873	3.1
554.45410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31501	0.3
51.06176	0.3
52.75058	0.3
53.75087	0.4
55.01730	1.0
57.03308	1.1
57.39973	0.4
57.56957	0.3
58.00460	0.5
59.01241	22.8
59.02401	0.5
69.03288	1.4
71.00869	0.8
71.01237	10.5
72.99174	0.9
73.02802	3.0
81.03315	0.8
83.01222	2.0
85.02804	5.5
85.99933	0.6
87.00721	3.5
89.02287	1.5
92.23856	0.5
95.01230	1.4
97.02781	0.7
99.00726	0.8
99.08011	1.0
101.02291	6.1
111.00745	0.9
112.01492	0.7
113.02317	3.5
117.39157	0.7
117.39883	0.9
124.01550	1.0
125.02300	1.5
129.09084	0.9
138.21501	0.5
141.12733	0.7
190.97762	0.4
205.58627	0.5
269.21133	2.4
285.20724	0.7
287.22284	30.3
299.22238	0.9
301.23700	0.7
329.23535	1.1
413.26199	0.6
420.81012	0.6
431.26544	15.6
432.26547	0.5
439.78555	0.5
449.27560	37.1
450.28122	0.9
473.27695	0.6
491.28629	100.0
492.28937	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.6
57.03299	0.7
59.00119	1.3
59.01241	100.0
59.02478	1.4
63.07858	0.5
63.57975	0.9
68.49274	0.7
69.40554	0.6
70.74873	0.6
71.01237	8.9
73.02807	3.1
74.53967	0.6
83.01260	1.4
85.02792	4.5
89.02286	3.8
91.73428	0.7
99.00748	1.1
101.02305	9.7
101.02952	0.7
103.87210	0.7
109.45852	0.7
113.02321	3.7
119.03358	1.4
132.54767	0.7
159.02827	0.7
161.04457	5.8
187.75858	0.7
321.15921	1.5
419.75150	0.8
475.27060	4.0
521.23267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51580	0.1
52.55223	0.1
54.11164	0.1
57.35059	0.1
64.96869	0.3
75.00742	0.2
78.95750	0.2
79.95586	15.3
79.97443	0.3
80.96371	0.8
90.93020	0.1
106.97948	1.8
157.96500	0.1
170.49515	0.1
194.04848	100.0
194.11772	1.1
195.05136	1.6
200.80989	0.1
337.34448	0.1
444.08646	0.1
518.58545	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47877	1.2
59.00969	2.0
59.01241	25.0
61.98686	2.2
64.62856	1.0
71.01244	11.8
73.02810	4.5
74.02315	1.8
84.04399	4.0
85.02803	5.2
87.00722	2.3
89.02296	4.0
91.72761	2.0
96.95868	1.6
97.02834	1.3
99.00724	1.5
101.02296	7.5
101.16685	1.3
102.05468	42.6
113.02310	2.4
113.09596	3.3
119.03383	1.8
119.22543	1.4
127.99644	1.4
128.03407	68.9
141.09109	5.2
146.04468	11.5
159.10168	11.5
171.57028	1.8
244.15585	2.7
303.14417	6.3
321.15555	21.0
324.71823	1.6
344.01685	1.4
363.16620	31.7
406.21011	5.6
448.22116	2.0
450.19958	3.4
474.19598	10.7
492.20923	100.0
493.21472	3.5
525.12488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38340	0.8
57.41217	0.7
59.01231	3.7
71.01229	1.0
72.99193	1.0
73.02795	1.0
79.95586	0.8
84.93739	1.2
85.02819	1.8
96.95871	39.6
97.95805	2.2
98.95453	26.3
98.96281	4.1
99.00744	1.2
99.92439	19.9
100.93217	5.3
101.02292	2.0
103.03878	1.3
107.80357	0.9
115.91935	12.3
116.89393	1.4
116.92722	100.0
117.92766	1.4
117.93513	1.1
128.03401	2.0
148.73264	0.8
149.06036	1.0
150.99261	1.0
158.93765	1.0
184.91776	3.2
184.95401	4.1
185.96185	3.0
186.97011	5.1
196.95355	0.9
228.08070	1.0
233.37964	0.9
253.39249	0.9
273.00610	1.1
380.87045	1.0
415.03357	2.7
451.05466	3.8
457.04309	5.6
475.05392	4.7
493.06534	8.1
537.05573	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.8
63.02258	1.4
65.00186	7.1
76.93114	1.1
83.01236	4.3
86.02357	6.1
90.98437	3.3
102.98473	1.4
103.55594	1.3
107.01248	17.7
109.02823	1.9
113.02294	1.8
118.85733	1.4
120.01133	7.3
125.02297	7.9
127.05046	1.7
127.08604	8.6
128.03404	91.1
129.03726	2.1
135.00427	1.7
135.04393	100.0
135.09004	1.9
147.22646	1.3
148.93492	1.4
150.95348	1.5
151.00252	94.6
153.06599	4.2
161.02385	1.5
169.01367	2.5
171.06200	1.5
171.07669	25.2
194.70998	1.6
198.88176	1.4
215.06712	4.2
231.04431	5.6
249.05508	41.6
269.04642	1.5
285.04175	2.4
287.05621	83.6
288.05899	1.8
344.10739	3.1
345.11383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.8
63.02258	1.4
65.00186	7.1
76.93114	1.1
83.01236	4.3
86.02357	6.1
90.98437	3.3
102.98473	1.4
103.55594	1.3
107.01248	17.7
109.02823	1.9
113.02294	1.8
118.85733	1.4
120.01133	7.3
125.02297	7.9
127.05046	1.7
127.08604	8.6
128.03404	91.1
129.03726	2.1
135.00427	1.7
135.04393	100.0
135.09004	1.9
147.22646	1.3
148.93492	1.4
150.95348	1.5
151.00252	94.6
153.06599	4.2
161.02385	1.5
169.01367	2.5
171.06200	1.5
171.07669	25.2
194.70998	1.6
198.88176	1.4
215.06712	4.2
231.04431	5.6
249.05508	41.6
269.04642	1.5
285.04175	2.4
287.05621	83.6
288.05899	1.8
344.10739	3.1
345.11383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42747	1.4
54.13139	1.2
54.53722	1.4
54.83825	1.4
57.03319	8.4
57.03553	1.6
59.00121	1.6
59.01242	100.0
59.02453	1.5
71.01244	17.2
73.02795	27.3
75.37856	1.4
79.05375	1.9
79.33569	1.5
83.01241	6.6
83.04894	2.7
85.02787	4.7
85.64781	1.4
87.00725	3.5
89.02302	6.8
91.72699	3.5
101.02300	24.1
113.02296	7.2
116.08614	1.6
119.03372	3.0
131.03409	1.6
137.09552	2.7
143.03372	1.9
161.04471	5.1
170.81331	1.8
199.44476	2.1
207.41116	1.9
231.13934	7.4
271.17108	6.1
289.18127	5.4
341.66660	2.3
493.24225	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	6.7
59.01243	100.0
68.79691	2.9
69.03323	2.4
71.01247	20.0
73.02800	26.3
79.83560	3.5
83.01233	7.6
85.02838	5.4
89.02332	7.4
101.02301	23.3
113.02336	7.3
123.08120	3.7
131.03459	4.4
135.08133	3.1
151.88387	3.2
161.04510	3.7
182.66208	3.4
231.13954	5.7
271.17053	5.6
289.18286	6.3
451.23654	4.9
493.24673	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28174	0.1
59.00187	1.3
59.01242	100.0
59.02470	1.8
59.64851	0.1
60.01583	0.2
60.24723	0.1
71.01244	1.9
73.02809	2.6
78.95795	0.2
83.01245	0.5
85.02816	0.4
85.63253	0.2
85.83143	0.1
89.02293	1.0
91.73219	0.6
98.77100	0.2
99.00727	0.2
101.02305	2.9
113.02297	1.0
118.96854	0.3
119.03406	0.4
125.02325	0.2
131.03447	0.3
146.54698	0.2
149.04480	0.2
161.04520	0.5
537.27069	1.8
539.57629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80840	0.8
59.00966	1.4
59.01244	17.1
67.68215	0.8
70.45695	0.8
71.01235	4.3
73.02805	1.1
78.95753	1.0
83.01257	0.8
85.02822	2.2
85.19031	0.7
87.00770	1.2
89.02297	6.9
101.02303	7.7
102.16903	0.7
113.02311	3.3
113.87639	0.8
116.53231	0.9
117.82378	0.9
119.03368	2.1
147.53743	0.8
152.99451	1.2
161.04407	2.1
179.05438	1.3
187.43440	1.1
191.46547	1.0
203.17995	1.8
212.19901	1.0
253.09288	24.4
257.22720	13.3
301.21747	100.0
302.22128	2.2
305.98801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.5
65.12336	0.3
71.01242	0.5
78.95768	0.7
79.95591	2.1
93.99659	0.2
96.93405	1.4
96.95869	100.0
96.98666	0.7
102.67055	0.2
114.93284	0.9
118.96413	0.3
134.03600	2.3
137.02321	0.5
149.05972	1.1
160.97571	0.3
178.02640	1.4
193.04979	7.3
224.54582	0.2
230.99712	0.9
232.00296	0.2
234.99223	0.3
235.06042	0.3
259.01474	0.5
271.69846	0.3
275.99686	0.4
291.02023	0.8
314.62994	0.3
393.05234	0.4
453.07019	0.3
495.08231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39141	0.4
59.01244	0.7
61.98707	0.2
63.27625	0.2
65.57388	0.3
66.70759	0.2
70.23917	0.2
71.01272	0.3
89.02296	0.5
91.72789	0.3
96.95894	0.4
98.59649	0.2
101.02321	0.3
107.04907	0.3
107.60905	0.2
119.03429	0.3
123.00812	0.3
134.03610	1.9
134.99971	0.5
135.04393	67.5
135.08308	0.7
136.04721	0.4
138.03061	0.4
139.82353	0.2
153.05402	0.5
172.94968	0.3
178.96565	0.9
179.03406	100.0
179.09357	1.0
180.03748	0.7
182.02103	0.7
197.04462	1.5
235.72314	0.3
248.61554	0.4
248.63669	0.2
292.43457	0.3
359.09933	0.5
503.14117	11.2
539.14117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61194	0.8
58.34792	0.7
59.01238	0.9
65.97334	0.8
76.27107	0.8
89.02318	1.1
96.95882	1.9
99.05314	0.9
110.35670	0.8
134.03621	2.4
135.04393	68.5
163.18692	0.9
179.03407	100.0
230.08801	1.0
263.19193	1.0
352.49277	1.0
492.06085	1.3
503.14108	16.5
539.14282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91779	0.5
59.01240	26.6
61.98671	1.3
68.18159	0.6
70.93941	0.6
71.00873	1.2
71.01239	19.2
73.02796	1.3
83.01240	1.9
85.02795	3.2
87.00728	2.1
89.02296	31.2
89.04451	0.8
93.48711	0.7
96.96812	1.7
101.02299	14.8
101.26321	0.6
113.02311	11.9
119.03358	10.8
129.01842	0.7
136.49196	0.9
143.03412	3.0
149.04408	0.8
161.04475	5.6
179.05521	14.5
194.04871	2.5
195.05119	1.6
196.04568	2.2
197.04813	0.7
211.26913	0.7
221.06685	2.5
265.20331	0.8
265.23605	0.7
296.62915	0.9
323.09839	4.9
341.10864	1.7
359.07297	1.8
365.85477	0.8
377.08496	2.3
493.92288	0.8
503.16214	100.0
504.16571	3.4
539.13873	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	14.2
61.98673	0.5
69.03332	0.3
69.11540	0.5
71.01241	4.5
73.02792	1.2
83.01241	1.3
83.04874	0.3
85.02811	1.5
85.86028	0.3
87.00733	0.6
87.42114	0.3
89.02307	4.8
95.01234	0.5
101.02307	6.0
113.02296	2.3
119.03348	1.3
128.41245	0.3
133.04930	0.4
143.03444	0.4
149.04427	0.3
152.99413	0.3
161.04454	2.2
165.71913	0.3
165.99507	0.3
179.05498	1.0
205.19582	0.9
235.08156	0.8
240.08853	0.3
253.09280	18.9
254.09598	0.4
259.24274	4.9
285.22296	0.8
303.23306	100.0
304.23624	3.5
343.07101	0.4
375.00046	0.4
406.35913	0.4
542.04688	0.3
564.08698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76254	0.2
59.01231	0.4
67.16372	0.2
75.10370	0.2
78.56437	0.2
79.95584	1.6
91.58089	0.2
96.95870	100.0
96.98358	1.4
113.92483	0.5
119.04899	4.1
128.03430	0.3
135.02789	0.3
163.03899	4.9
167.70370	0.2
172.01378	0.2
227.80753	0.2
232.99768	0.3
235.02818	0.2
261.00668	0.3
325.09268	0.6
379.03635	0.8
443.12073	2.1
497.18787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41027	0.7
64.63132	0.7
71.01250	0.8
72.00774	3.0
78.95799	0.8
82.02824	0.8
89.02291	0.8
96.95888	4.3
100.03894	5.8
101.02309	0.9
102.05473	1.6
122.14632	0.8
128.03397	13.2
130.08630	2.3
135.04399	16.5
136.04794	1.0
140.03200	1.2
142.04752	1.0
142.47330	0.9
150.01610	5.0
152.03183	2.0
167.04340	2.2
168.01459	2.6
168.02676	1.3
179.03412	23.6
180.03757	2.3
185.29474	0.8
215.42308	0.9
235.10649	3.8
237.12180	9.0
259.12753	1.1
263.10162	16.9
281.11243	100.0
282.11536	1.6
503.13898	2.6
506.50061	1.0
541.23779	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28585	0.4
59.01233	1.5
59.35369	0.5
60.99169	12.5
80.96391	0.5
85.63563	0.5
87.00734	4.8
88.00251	4.1
88.01071	1.0
88.03896	1.3
88.94331	0.5
88.94958	0.7
88.96328	1.3
88.98660	100.0
89.00671	1.5
89.02297	43.5
96.95876	6.3
136.30098	0.5
148.33870	0.5
230.20387	0.6
333.28021	0.6
378.68613	0.6
451.33337	1.1
459.82816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24791	0.2
53.29400	0.3
53.36647	0.3
55.69595	0.2
59.01241	0.3
78.93919	0.8
78.95761	44.9
87.75333	0.3
96.96819	6.0
106.44611	0.3
109.43095	0.3
114.62616	0.3
115.10419	0.3
150.97910	1.8
152.94478	1.3
152.99477	100.0
153.99818	0.4
171.00539	4.4
209.33199	0.3
256.77725	0.3
303.22977	0.4
457.23657	16.6
458.24194	0.5
544.27026	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	15.5
71.01237	2.6
73.02799	1.3
73.27143	1.0
74.02322	1.4
78.95765	2.1
83.05947	1.2
84.04401	4.7
85.02809	1.6
85.90348	1.2
88.36317	1.1
96.95859	8.1
97.06414	1.8
102.05468	22.4
108.80003	1.1
111.08042	2.1
117.43435	1.3
128.03404	69.9
146.04439	9.3
162.06912	1.3
207.17429	4.5
251.16530	15.5
269.17542	14.2
287.18622	23.2
312.79120	1.4
354.22955	2.2
372.23944	4.9
378.71219	1.4
387.79065	1.7
398.21820	4.4
416.22949	17.3
425.21954	1.7
501.23688	2.2
527.26141	2.7
545.27216	100.0
546.27496	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10773	1.0
59.01242	17.0
61.98680	1.3
68.83382	1.2
71.01261	3.2
72.91248	1.3
89.02297	3.2
91.72708	1.7
101.02319	3.3
107.44246	1.5
217.00266	3.0
235.08243	1.6
249.18588	100.0
250.19077	2.5
253.09308	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01241	8.8
64.80559	0.7
67.48281	0.6
71.00910	0.7
71.01238	4.6
71.04825	0.7
73.02812	1.3
74.99866	1.7
75.00227	0.9
83.01250	0.9
85.02827	1.8
89.02295	5.8
96.95885	0.8
97.02790	1.5
97.06473	0.8
101.02304	5.7
108.51863	0.8
110.72267	0.8
112.47363	0.8
113.02309	2.9
119.03384	1.0
123.07980	1.0
125.09560	1.8
141.12666	1.1
161.04475	2.8
163.11195	3.7
163.54308	0.8
165.12726	6.0
179.05585	1.0
179.14307	2.1
180.18497	0.9
181.12289	2.2
193.15897	1.7
209.11774	1.7
217.00079	1.2
223.13316	3.0
247.20659	8.7
253.09299	25.1
273.18634	2.9
291.19693	85.3
292.19980	0.9
309.20734	100.0
310.21204	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48806	0.5
55.39293	0.6
56.00741	0.6
57.03317	0.9
59.01242	8.3
63.85427	0.6
68.29996	0.6
71.01238	5.5
71.01603	0.8
73.02796	0.6
74.99839	1.6
75.49527	0.7
81.03319	1.0
83.01221	0.6
83.04858	0.6
85.02811	0.7
87.00760	0.9
89.02314	4.9
91.50043	0.6
95.04848	0.8
95.84514	0.7
97.02787	1.2
97.06460	0.6
101.02299	6.2
101.14918	0.6
104.83298	0.7
113.02297	2.4
113.79527	0.7
119.03400	2.0
125.09573	1.0
141.12769	1.2
153.12784	0.9
161.04478	1.7
163.11171	3.4
165.12749	6.0
177.12695	1.1
179.05460	0.9
179.14320	1.3
181.12270	2.2
183.01154	0.7
193.15857	1.6
223.13365	3.4
247.20659	8.8
253.09277	21.8
273.18564	2.3
291.19675	84.0
292.20151	0.7
309.20740	100.0
310.21136	1.0
545.24377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.5
67.10996	0.3
75.42479	0.4
76.60875	0.4
79.95584	1.8
89.23849	0.4
96.93172	1.2
96.95869	100.0
96.98212	1.4
128.03394	1.7
134.05980	1.1
178.05067	0.7
245.09549	0.6
259.04065	1.1
299.03616	0.8
307.09332	3.5
317.04550	0.7
345.04083	6.8
438.77393	0.5
448.17450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26962	0.5
57.35011	0.5
59.04914	0.5
59.74558	0.5
64.84686	0.5
73.07898	0.5
78.95754	5.0
82.15030	0.6
84.26375	0.6
91.72792	0.6
101.27760	0.8
131.25620	0.7
135.73213	0.6
140.01077	2.0
144.99222	0.7
180.55440	0.7
208.10434	0.6
214.04849	2.7
217.71988	0.6
324.27341	0.7
348.48306	0.9
349.27509	100.0
350.27802	2.5
546.32043	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63272	1.9
59.01241	65.8
71.01241	31.8
73.02795	3.3
79.23702	1.7
85.02823	5.8
87.00725	2.0
89.02294	50.2
96.95863	2.2
101.02302	24.5
103.00478	1.8
113.02303	19.8
119.03381	26.8
119.04877	24.7
121.25269	2.2
127.35364	2.7
128.03471	3.2
131.03296	3.4
138.13498	2.1
141.74258	2.0
143.03419	3.7
151.22684	2.0
161.04510	3.3
163.03871	3.8
174.29982	1.9
179.05528	10.9
180.03690	2.1
181.05069	2.3
281.10294	6.6
299.11380	100.0
300.11734	2.5
341.12500	20.0
410.40018	2.3
443.15921	3.3
561.46484	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.6
57.03329	2.5
59.01244	100.0
69.03324	2.3
71.01241	63.3
73.02812	20.2
75.00729	2.8
78.95793	10.3
79.84653	2.2
83.01260	9.6
85.02806	19.9
87.00751	3.4
89.02300	44.3
95.01278	5.1
96.95876	21.6
97.02821	2.5
99.00745	5.0
101.02303	49.5
101.02944	3.6
113.02306	50.6
119.03384	20.7
119.04893	36.3
121.02973	2.7
125.02380	8.7
128.03453	3.1
137.06015	5.6
143.03447	7.9
149.04565	3.3
155.03496	5.6
161.04515	10.1
163.03914	11.6
179.05518	12.8
203.05508	15.1
281.10358	17.9
287.30750	2.6
299.11188	11.2
339.99152	2.3
341.12424	25.3
405.39258	2.8
443.15610	7.2
461.16629	75.7
462.17068	4.8
503.17786	77.5
504.17886	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71906	2.4
51.29486	2.7
56.92983	2.8
57.03310	2.1
59.01243	84.7
61.98708	3.3
69.03301	4.6
69.36527	2.3
71.01240	42.3
72.99165	4.0
73.02808	10.8
78.95770	4.6
82.44530	2.4
83.01254	9.5
85.02785	18.7
87.00724	19.7
89.02295	36.3
91.73317	2.8
95.01244	5.7
96.95865	15.4
97.02811	8.6
99.00756	3.7
101.02309	46.3
113.02300	23.8
119.03396	15.8
119.04893	18.7
120.09079	3.0
124.01556	11.2
125.02319	28.3
128.03419	3.7
131.03401	3.5
137.05971	20.6
143.03413	9.6
161.04446	7.8
163.03928	6.0
179.05534	10.1
221.06599	26.4
221.38834	3.0
235.08252	8.5
245.08296	10.4
281.10617	3.2
376.18802	3.4
443.15628	42.3
461.16718	25.7
503.17746	100.0
504.17914	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22469	0.8
59.01243	13.3
61.98660	1.3
63.44371	0.8
66.73109	1.0
71.01242	1.7
72.37245	0.9
73.82218	0.9
78.95732	1.0
86.70795	0.9
89.02309	1.3
101.02320	2.5
104.65225	1.2
112.37853	1.1
112.46601	1.0
113.02338	1.6
119.03340	1.3
120.04713	1.1
154.51532	1.3
157.41341	1.1
175.53600	1.2
177.60509	1.1
251.20163	100.0
252.20534	1.6
253.09273	13.6
312.17596	1.3
365.26968	1.2
527.22803	1.4
531.03357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86288	2.9
59.01236	10.4
59.27369	3.2
70.14822	2.9
76.42606	3.7
89.02265	5.4
101.02290	4.6
102.06586	3.7
117.16379	3.9
123.35283	3.5
136.17683	3.2
161.04497	3.7
163.11220	5.2
195.57356	4.6
200.15608	4.0
253.09291	24.1
293.21243	64.7
311.18701	5.1
311.22302	100.0
360.63824	4.9
365.60284	4.6
524.23682	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59166	3.9
59.01242	10.1
71.01250	4.7
73.02815	4.2
89.02318	4.5
101.02328	9.9
107.18957	4.6
122.80915	5.2
147.88078	4.5
211.13243	4.5
224.33258	5.1
253.09354	18.4
293.21240	51.6
311.22256	100.0
363.58920	5.8
402.13672	4.9
439.06305	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.2
61.97318	1.5
61.98692	100.0
61.99890	1.6
64.04537	0.2
66.86814	0.2
101.02348	0.2
112.13729	0.2
122.92248	0.2
135.03110	0.2
146.64516	0.2
149.25890	0.2
192.67860	0.2
249.18651	1.2
250.18913	2.1
251.19202	1.2
426.93951	0.2
432.23441	0.2
443.63635	0.2
546.13995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68034	0.3
51.35175	0.3
54.47577	0.3
56.04746	0.5
57.60697	0.3
59.01223	0.3
61.26039	0.3
62.03135	0.3
66.83961	0.3
67.88766	0.3
77.03830	1.4
87.10177	0.3
89.60751	0.3
90.96580	0.4
91.68050	0.3
92.54153	0.4
96.95837	0.3
103.40946	0.3
118.86781	0.3
121.02818	100.0
121.06375	1.2
122.03188	0.4
127.90347	0.3
165.01831	45.3
166.02119	0.5
167.08582	0.4
180.05659	0.5
181.06566	2.2
193.18849	0.3
197.05997	2.9
207.04430	0.7
225.05540	1.7
257.09698	0.6
313.07169	1.3
357.06195	1.0
417.09842	2.2
429.99728	0.7
505.11374	1.4
549.10406	23.0
550.10425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51282	3.2
57.02280	3.6
59.01250	19.6
68.56181	3.3
74.12571	3.0
82.33813	3.7
82.49294	3.5
91.71828	4.1
119.51654	3.6
127.24088	4.4
129.58829	4.6
134.23824	3.9
202.34656	4.4
206.86664	4.0
253.09277	12.3
253.21741	100.0
300.26337	4.8
346.10318	4.9
560.08167	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78895	40.8
53.32053	38.8
59.01252	46.5
68.18160	38.2
75.21754	34.7
75.43791	39.7
79.23700	40.2
107.32789	43.0
151.81792	45.7
201.17572	42.6
208.52640	56.9
219.97375	46.4
274.43686	44.6
277.21597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17572	0.0
54.05584	0.1
67.39401	0.1
73.99518	0.1
78.95765	1.2
79.95590	2.0
96.93507	1.4
96.95867	100.0
96.98594	1.2
97.95826	0.1
98.47960	0.1
128.03366	0.1
140.11026	0.1
216.19505	0.1
287.73227	0.1
373.17569	0.1
385.19885	0.1
558.85504	0.1
573.69373	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83381	0.3
59.00940	0.7
59.01241	13.9
71.01255	2.0
73.02779	0.7
85.02747	0.4
87.00730	0.3
89.02287	2.5
101.02310	2.6
103.45453	0.3
113.02283	1.1
119.03338	0.6
124.67572	0.3
146.11972	0.3
161.04454	1.2
220.56810	0.4
235.08260	2.0
253.09331	11.3
253.21716	100.0
253.32019	0.9
254.22137	2.2
307.17374	0.4
340.23047	0.4
465.51709	0.4
489.30695	0.5
542.08270	0.5
544.31714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81365	0.5
59.00976	0.6
59.01245	6.8
62.97190	0.6
78.95761	10.7
83.04889	0.8
90.72033	1.3
90.72517	1.1
91.44460	0.6
110.26446	0.6
124.99825	0.7
152.99451	1.6
168.04204	2.3
177.16400	1.3
224.06891	2.1
231.21185	4.6
236.36035	0.6
242.07892	5.8
251.20174	7.6
257.19104	0.8
275.20193	100.0
276.20514	1.4
318.14774	0.7
410.85727	0.6
476.27573	2.1
500.27844	42.6
501.28165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35416	0.1
59.01247	1.0
59.58539	0.1
61.97384	1.8
61.98693	100.0
62.00180	0.6
89.02319	0.2
91.72697	0.3
127.92791	0.2
183.73689	0.2
217.99104	0.2
220.90115	0.2
251.20151	1.9
251.22139	0.2
252.20490	2.9
253.20749	1.9
254.21133	0.5
255.10001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17064	0.9
59.01241	23.9
71.01241	11.7
72.99136	1.0
73.02801	9.4
76.11281	1.1
77.05912	1.2
78.32055	1.2
82.58609	1.0
83.01228	1.5
85.02805	3.0
89.02296	12.0
96.95850	1.3
101.02302	11.9
101.68033	1.1
113.02309	9.3
117.03341	2.9
118.04140	1.4
119.03399	4.9
119.04890	50.6
121.02837	2.6
128.03387	2.5
131.03331	1.6
132.05717	1.3
133.06454	3.3
136.05228	1.1
143.03406	2.4
145.02835	8.6
159.04272	2.1
161.04543	3.0
161.06003	13.5
163.03903	12.6
179.05550	3.6
185.02127	52.5
185.03810	2.7
199.03748	1.9
200.61415	1.4
201.05255	2.0
203.03230	2.3
205.04997	13.6
215.49951	1.1
227.03206	1.5
230.05176	1.2
287.00806	1.4
287.08710	1.2
303.04877	100.0
304.05295	1.4
307.08304	14.0
425.10959	8.4
447.92722	1.5
465.19958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77259	1.1
57.35680	1.1
71.01267	2.0
73.02812	3.2
76.82759	1.2
81.38297	1.2
87.00744	4.8
89.02300	1.7
91.19884	1.2
93.03322	1.6
96.95854	2.6
117.01801	6.3
117.03326	2.6
118.04174	1.4
119.04897	66.2
121.02831	3.7
123.04371	2.3
128.03435	2.6
131.04886	3.6
132.05696	4.2
133.02818	1.8
145.02829	9.2
147.04482	2.6
159.04375	2.7
163.03914	40.5
176.04706	7.9
185.02116	50.3
199.03697	20.1
203.03255	4.7
217.04839	2.0
227.03165	4.9
234.39372	1.5
243.02803	5.6
255.02792	2.3
285.03851	3.5
303.04886	100.0
304.05353	2.2
307.08243	16.0
425.10962	21.8
447.09219	5.5
465.10489	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02005	1.2
58.30571	1.3
61.08752	1.1
61.98693	4.0
71.01244	1.8
72.99145	1.5
79.97266	1.2
86.85063	1.3
86.85800	1.2
91.24281	1.3
96.95876	2.7
98.81502	1.4
100.54135	1.4
117.03362	4.8
118.04115	2.2
119.04894	83.8
121.02834	6.8
123.04425	2.0
128.03406	3.4
133.02856	2.2
145.02806	8.5
163.03906	35.4
163.14525	1.8
164.76222	1.5
165.00554	1.8
176.04774	1.6
185.02121	100.0
199.03806	4.4
203.03220	4.9
203.39740	1.7
227.03273	4.1
303.04871	94.0
307.08228	19.3
329.06693	2.1
425.10910	18.5
447.09186	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65890	1.4
56.05527	1.0
56.73606	0.9
56.80245	1.0
58.08430	1.0
59.01256	2.4
67.19965	1.1
67.94086	1.0
69.22557	1.2
71.01289	1.6
96.95889	2.5
117.03369	2.0
118.04118	1.6
119.04892	71.9
120.05239	1.8
121.02879	2.7
128.03467	1.7
133.06444	3.1
145.02818	8.8
153.10133	1.3
159.04320	3.7
161.05966	13.5
163.03909	33.3
163.05145	2.7
166.81870	1.4
185.02122	61.4
201.05336	2.8
203.03273	2.8
205.05045	11.0
227.03331	2.8
236.41212	1.4
281.15958	1.8
303.04865	100.0
307.08228	18.6
315.95291	1.5
362.33279	1.5
372.55396	1.4
425.10916	24.3
447.09619	3.3
465.10449	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81961	3.0
59.01241	100.0
64.72771	2.7
65.68604	2.7
71.01240	50.4
72.99171	3.2
73.02809	30.0
73.40536	3.2
75.00741	3.2
83.01241	7.7
85.02798	12.3
89.02291	63.8
95.01273	4.7
96.95844	5.1
101.02299	48.2
106.12183	3.2
106.45740	3.8
113.02305	34.7
116.31525	3.2
119.03358	29.5
119.04881	19.3
128.03410	7.9
131.03381	6.0
142.39101	3.6
149.04446	5.7
158.96774	3.3
161.04456	16.4
161.05803	4.3
163.03920	9.4
164.05685	4.3
170.53410	3.3
179.05547	17.0
185.02095	20.5
205.04994	3.9
270.99756	3.8
303.04840	30.6
307.08313	5.9
459.15009	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	0.7
58.29759	0.7
63.26182	0.5
67.01112	0.5
69.22186	0.5
72.00755	1.4
82.02840	3.0
82.95268	2.2
84.04398	2.2
87.19822	0.6
91.05381	1.1
98.02342	0.6
101.07062	0.9
102.05453	0.6
106.88058	0.5
109.03951	2.3
112.03938	1.3
118.06501	0.8
120.09698	0.6
127.05008	13.4
128.03409	100.0
129.03749	0.8
139.11188	0.7
142.55069	0.6
146.04533	0.8
147.04384	5.9
164.07077	15.6
166.15530	0.7
168.73997	0.6
182.11842	0.7
194.09366	0.9
195.07642	0.7
239.06638	4.2
257.09372	2.1
264.10144	0.7
275.10397	11.3
293.11392	8.2
303.05341	0.7
386.13528	1.7
395.67862	1.0
404.14740	6.5
422.15634	9.5
477.06082	0.9
515.17554	1.7
533.18982	7.2
547.05090	0.8
551.20026	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42392	1.2
55.01747	1.4
58.01338	1.2
59.01245	23.0
70.21637	1.4
71.01239	9.4
72.99175	2.0
73.02810	3.7
83.01219	1.4
85.02806	6.6
87.00748	2.7
96.95895	3.0
101.02308	7.0
106.65966	1.4
113.02316	3.5
121.02774	1.9
134.39839	2.0
202.72404	1.5
285.20731	4.3
303.21725	13.3
447.26074	14.3
465.27060	31.5
507.28134	100.0
508.28491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08213	0.7
54.16241	0.4
55.01732	1.0
57.03320	1.2
59.01241	37.6
59.02369	0.6
65.87181	0.5
67.71842	0.4
71.01234	10.6
72.99153	1.2
73.02802	6.0
83.01242	4.6
85.02812	8.5
87.00727	1.5
89.02316	1.5
91.72671	0.7
95.01245	0.7
95.17097	0.5
96.95817	0.6
97.02843	0.5
98.19820	0.5
99.00716	1.7
99.07999	1.2
101.02306	12.1
111.00757	0.8
113.02312	4.2
121.40425	0.6
125.02287	1.2
129.09041	2.0
135.91429	1.1
136.10928	0.6
159.02846	0.6
161.04367	0.9
163.28110	0.5
178.43851	0.6
257.21161	0.8
285.20731	5.1
303.18570	0.8
303.21579	3.5
327.21704	1.0
429.24826	3.8
447.26004	19.7
465.27048	13.5
489.26822	1.2
507.28098	100.0
508.28439	4.3
551.31158	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84954	1.4
59.01242	89.0
59.02445	2.1
60.25870	1.5
71.01245	10.4
73.02806	5.2
73.69711	1.5
83.01217	3.8
85.02809	7.5
87.00725	1.7
87.85960	1.5
89.02291	1.5
89.48135	1.4
96.95869	2.4
99.00758	2.6
101.02312	10.8
113.02319	3.0
128.03409	5.6
146.04486	2.0
161.04410	2.0
242.46564	1.7
265.08533	1.9
280.53943	1.7
303.22113	1.8
348.20117	1.6
387.24335	1.9
405.25049	4.6
447.26114	2.4
465.26929	7.4
489.27145	4.9
507.28110	100.0
508.28714	4.3
551.29321	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2869
Annotation	14,15-DIHYDROAJUGAPITIN
Peak:m/z	Relative Intensity
59.01242	100.0
61.98685	2.6
71.01244	11.4
73.02787	2.8
82.95272	3.0
83.04864	1.4
85.02825	2.1
89.02302	4.1
92.86077	1.4
96.95894	2.0
101.02297	7.1
102.05452	1.6
113.02313	6.0
128.03386	1.8
161.04451	4.5
320.75525	2.0
435.23862	2.2
491.26788	3.2
509.27643	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22099	35.9
58.28602	47.9
61.98689	49.8
62.79814	40.5
63.80790	45.7
68.29289	46.9
79.72439	50.7
81.25215	46.2
114.71390	46.5
119.67143	46.0
121.28793	50.4
137.75667	58.1
155.61110	55.0
255.23366	85.0
265.49615	70.6
279.23425	100.0
383.93103	60.4
408.23331	62.5
533.81360	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40688	0.3
52.73536	0.3
56.13895	0.3
59.01240	15.2
59.02421	0.4
60.47546	0.3
63.38663	0.3
68.42896	0.3
71.01234	1.9
73.02792	0.8
83.01212	0.5
85.02821	0.4
87.00703	0.4
89.02312	2.7
101.02313	3.1
113.02298	1.2
115.03815	0.5
116.25751	0.3
119.03326	1.1
121.80474	0.4
133.04893	0.4
143.03407	0.4
161.04402	1.1
179.05511	0.5
209.92250	0.4
232.90977	0.4
235.08272	2.1
237.21866	0.4
253.09279	12.0
255.23288	100.0
256.23703	2.4
332.31580	0.4
366.27811	0.4
387.37399	0.4
389.48483	0.4
399.99744	0.4
450.14352	0.4
491.32764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49858	0.5
52.98788	0.4
56.35450	0.5
59.00975	0.8
59.01242	10.9
64.55367	0.5
68.06411	0.6
71.01230	1.7
73.02791	0.8
77.99634	0.6
81.43172	0.5
89.02293	2.1
92.46909	0.6
101.02307	2.7
113.02287	1.5
124.02119	0.7
141.24599	0.6
152.82347	0.6
161.04424	0.9
211.33490	0.6
212.27614	0.7
218.94580	0.9
235.08162	2.9
253.09309	10.6
255.23296	100.0
256.23727	1.4
395.55420	0.7
551.29883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73486	0.1
54.41551	0.3
59.01241	3.8
69.94801	0.1
71.01225	0.3
72.65530	0.1
78.95760	7.4
83.04864	0.6
91.25711	0.4
91.73340	0.4
152.99457	1.1
156.97725	0.2
157.58894	0.2
168.04207	2.3
205.19580	0.3
224.06856	1.3
233.22694	1.4
242.07957	3.7
259.20639	0.9
275.20236	0.5
277.21732	100.0
278.22064	2.1
280.14563	0.2
469.38666	0.2
502.29431	34.6
503.29669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41551	0.4
59.01233	1.0
68.89964	0.2
69.54956	0.2
78.95768	5.6
83.81789	0.2
90.05547	0.3
91.25677	0.7
91.26263	0.6
98.17327	0.3
98.21754	0.3
121.27804	0.3
128.03920	0.2
133.00206	0.2
152.99495	0.8
164.84607	0.2
165.91753	0.3
168.04219	1.6
175.41757	0.4
224.06902	1.1
233.22601	0.5
242.08022	3.0
259.20657	0.5
275.20212	0.7
277.21747	100.0
277.33896	0.8
278.22058	1.6
385.55728	0.3
502.29456	35.1
503.29886	0.7
522.32697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41566	0.4
57.49347	0.4
59.01249	2.0
61.98686	0.5
66.59538	0.4
74.78575	0.4
78.95759	25.0
86.16103	0.5
91.25648	1.4
106.06675	0.4
106.67546	0.4
113.88542	0.4
114.77815	0.4
122.98347	0.4
135.30951	0.4
152.99458	3.4
168.04233	4.8
175.41658	0.7
224.06906	10.0
233.22603	0.7
242.07957	3.0
253.21773	4.7
259.20706	0.9
269.46512	0.4
277.21732	100.0
278.22046	1.8
363.10010	0.5
478.29367	1.2
502.29416	72.8
503.29596	2.0
544.85968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80313	0.1
52.20783	0.1
59.00985	0.2
59.01234	1.2
60.01596	0.1
61.97244	0.9
61.98691	100.0
61.99949	1.9
75.11129	0.1
95.51060	0.2
102.57076	0.2
178.96005	0.2
197.38969	0.1
203.74919	0.1
214.04437	0.2
253.21732	2.4
254.09535	0.3
254.22072	3.0
255.09760	0.4
255.22401	1.6
256.22766	0.7
403.60056	0.2
439.28253	0.2
566.80798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73922	0.4
55.94322	0.5
59.01244	14.8
61.98676	0.7
66.20168	0.9
72.69818	0.5
72.88480	0.5
76.62667	0.5
78.95763	12.0
78.96205	0.9
152.99454	1.4
153.23802	0.5
162.13817	0.6
168.04201	2.6
224.06937	3.5
225.07237	0.7
242.07961	2.4
253.21735	100.0
254.22066	1.8
263.10175	0.6
277.21738	31.5
355.86816	0.6
478.29431	27.0
479.29736	1.4
502.29465	22.9
503.29651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.3
59.03923	0.3
64.32939	0.3
71.01232	1.3
73.02800	1.1
73.61636	0.3
75.00756	0.3
78.95752	1.0
79.95578	2.0
81.59761	0.3
83.01260	0.5
85.02786	0.5
89.02283	0.4
96.93385	1.6
96.95869	100.0
96.98640	1.1
97.95818	0.4
101.02309	1.4
113.02309	0.4
114.87172	0.3
114.93275	0.5
127.38174	0.3
128.03397	0.3
157.34436	0.3
161.04463	0.3
193.18138	0.4
204.33301	0.3
217.00317	0.5
238.53558	0.3
375.41537	0.4
381.02472	0.3
427.39899	0.3
507.45657	0.4
508.28342	0.9
509.28958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	2.7
57.03313	3.1
57.18614	0.9
59.00077	1.7
59.01241	74.9
59.02528	1.2
61.52268	0.9
67.86778	0.9
71.01239	33.7
72.99167	1.8
73.02801	13.7
80.49409	1.0
83.01245	8.2
85.02799	20.0
87.00738	4.4
89.02294	8.3
90.64630	0.9
95.01247	3.2
95.20727	0.9
97.02824	1.9
99.00735	4.7
101.02299	32.3
111.00771	1.9
113.02306	18.5
114.51639	1.6
114.52349	1.3
119.03372	4.3
124.01563	2.0
125.02327	3.4
138.98033	1.4
141.01764	1.5
143.03398	3.8
143.10616	2.2
145.18217	1.9
159.02882	1.5
161.04445	5.6
171.20540	1.0
205.23805	1.2
220.25409	1.3
277.84433	1.3
287.15063	4.5
305.16074	12.5
413.18182	1.5
449.20319	100.0
450.20792	2.9
467.21332	82.4
468.21469	2.3
509.22629	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.2
57.03309	2.7
59.01241	89.3
67.03672	2.8
71.01235	58.7
73.02795	14.0
75.44227	2.0
82.19036	2.1
82.95284	2.2
83.01254	12.7
85.02808	28.4
87.00751	2.7
87.82175	2.1
89.02286	23.9
90.04095	2.1
91.73495	2.1
95.01183	2.4
96.95865	4.0
97.02818	2.5
99.00755	7.8
101.02296	65.7
113.02323	28.9
115.00259	4.1
119.03371	9.1
125.02314	2.6
128.03433	5.4
133.01299	10.5
134.25340	2.7
141.01675	2.3
143.03400	4.1
159.02864	3.6
159.83058	2.2
161.04445	19.9
179.05630	2.9
261.58252	2.7
305.16068	24.2
347.17062	19.5
407.10779	2.9
446.96765	2.7
449.20316	6.4
467.21344	100.0
467.27975	5.1
509.22192	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.7
57.46028	2.6
59.01241	100.0
60.43570	3.1
61.91778	2.6
61.98705	2.9
69.03292	4.5
71.01237	53.2
71.04883	2.7
73.02811	9.1
83.01235	10.1
85.02815	23.9
87.00729	6.6
89.02305	42.2
91.73273	4.1
96.95864	9.8
97.02796	5.6
99.00703	4.3
101.02295	52.0
110.30740	4.3
113.02274	24.2
119.03345	19.8
124.01524	39.4
125.02324	7.8
128.03415	5.9
143.03406	6.0
143.10600	3.9
161.04456	14.7
179.05565	8.9
186.68338	4.1
189.23457	3.8
196.46642	3.4
207.63882	3.4
235.08237	12.9
249.05496	4.4
250.51735	3.9
251.12921	3.9
305.16064	4.2
340.78983	3.7
347.16962	4.7
449.20178	23.4
467.21289	97.7
509.22424	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
58.85427	0.5
59.00099	1.8
59.01243	100.0
59.02527	1.2
61.11922	0.5
61.98697	1.1
63.57017	1.1
71.01260	1.9
73.02813	1.6
77.22563	0.6
96.95888	1.6
101.02310	3.1
111.97110	0.6
134.37495	0.8
158.07095	0.7
171.10252	0.7
177.84598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.2
58.47939	0.2
59.00154	1.4
59.01242	100.0
59.02502	1.6
60.01582	0.5
71.01238	1.5
73.02820	0.8
78.95750	0.3
79.46505	0.2
85.02805	0.9
89.01838	0.2
89.02329	0.6
98.36041	0.2
99.00764	0.2
101.02293	1.2
113.02319	0.9
119.04945	0.2
122.31728	0.2
131.19635	0.2
146.35284	0.2
161.04510	0.4
246.03482	0.2
271.73480	0.2
309.20410	0.2
433.22382	1.1
451.23434	2.4
481.48038	0.2
493.24512	0.9
554.31793	0.5
575.72510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21530	0.3
52.11918	0.3
57.03333	0.5
59.00072	2.1
59.01242	100.0
59.02578	1.2
61.45949	0.3
66.54107	0.2
69.06534	0.3
71.01246	0.8
73.02808	1.2
77.71640	0.3
78.95770	0.4
83.01254	0.4
89.02290	0.4
91.73124	1.2
99.57972	0.3
101.02309	1.6
113.02296	0.4
118.96844	0.3
120.61122	0.4
121.85229	0.3
161.04457	0.5
174.01688	0.6
219.89925	0.3
231.13910	0.7
271.17130	0.5
493.24619	0.4
547.99463	0.4
553.29816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46851	0.9
57.03329	2.3
59.00015	1.9
59.01241	100.0
61.98732	0.9
71.01251	3.5
73.02802	7.5
75.93632	1.0
83.01261	1.8
85.02813	1.4
87.06968	0.9
96.95891	2.3
101.02318	6.8
113.02334	3.5
113.12759	1.3
118.74775	1.3
125.94629	1.1
128.03506	1.1
130.08656	1.3
149.04546	2.1
198.18289	1.3
257.86655	1.2
300.31677	1.3
509.26019	1.4
522.00720	1.5
547.77240	1.5
579.24274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41631	0.2
58.39873	0.2
59.00074	1.9
59.01242	100.0
59.02585	0.9
65.53336	0.3
67.48315	0.3
70.56742	0.2
71.01246	2.5
72.99169	0.5
73.02801	5.7
73.91022	0.2
75.00734	0.4
83.01241	1.6
85.02792	0.7
86.72618	0.3
89.02301	1.0
96.95873	0.6
101.02299	5.4
104.85583	0.3
113.02299	1.7
119.03304	0.3
121.89699	0.3
131.03409	0.6
149.04434	0.6
161.04463	1.4
210.31242	0.3
221.06712	0.6
271.17105	0.7
345.12814	0.3
553.25928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01441	22.1
58.68467	18.7
59.01254	26.4
61.98690	47.9
67.22378	22.2
74.00735	21.5
74.69669	23.5
101.02306	25.5
117.37881	26.2
149.59930	28.3
203.31947	27.9
207.68733	28.6
248.33192	27.3
255.23215	88.5
256.23682	100.0
257.23856	70.4
281.24945	80.2
352.00168	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38505	0.3
55.84120	0.9
55.84356	0.4
56.93595	0.3
57.03300	1.4
58.25134	0.4
59.01215	0.7
67.01741	0.9
69.02951	0.7
69.03310	9.5
71.01225	1.5
71.04881	2.9
73.02817	0.6
77.30363	0.6
79.33698	0.4
81.03333	0.7
83.04880	0.6
90.52229	0.7
90.52698	0.5
90.97687	0.4
91.03857	0.5
97.02795	0.9
97.06438	1.8
99.78660	0.5
107.44799	0.6
109.06474	0.7
116.76885	0.4
119.93868	0.5
123.08011	3.0
125.09611	4.6
137.09595	0.8
149.09561	1.1
151.11156	6.7
153.12755	2.4
161.09602	10.4
161.10875	0.9
179.10678	35.1
188.64970	0.4
197.11754	95.9
198.12111	1.5
223.09705	4.8
237.22166	0.9
241.10793	12.8
255.23282	100.0
256.23645	2.6
288.16006	0.5
297.13416	7.8
315.14520	17.0
330.08118	0.4
394.25571	0.5
417.33734	0.8
495.22461	0.5
553.37482	86.7
554.37823	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86971	0.3
59.01237	0.9
70.13647	0.1
77.08614	0.1
78.94012	0.1
78.95763	5.0
84.32736	0.2
89.10178	0.1
90.33843	0.2
91.79391	0.2
121.02995	0.2
124.06808	0.2
152.99504	0.8
168.04222	1.6
224.06844	1.1
242.07964	2.8
261.22275	0.3
277.21439	0.2
279.11310	0.9
279.23300	100.0
280.23651	2.4
447.58954	0.2
450.98450	0.2
453.28186	0.2
504.31006	30.0
505.31326	1.0
518.98438	0.2
538.75763	0.2
582.26514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86996	0.4
55.96804	0.3
59.01221	1.1
61.84999	0.3
71.35491	0.3
78.95759	18.1
91.79318	1.1
91.79914	0.6
96.95876	0.8
103.59447	0.4
152.99463	2.8
168.04204	4.0
177.03113	0.5
188.28554	0.4
224.06873	8.2
242.08000	2.1
279.11334	0.9
279.23291	100.0
280.23672	1.8
355.45230	0.6
374.49146	0.4
379.39828	0.4
504.30988	60.3
505.31393	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16520	0.2
56.20111	0.1
59.01244	1.5
61.97535	1.3
61.98690	100.0
62.00027	1.7
68.77219	0.1
71.01244	0.4
78.25585	0.2
80.96370	1.2
82.37433	0.2
85.19404	0.2
89.02318	0.2
94.97942	0.3
101.02331	0.3
108.71730	0.2
110.51627	0.2
150.96259	0.2
162.10504	0.2
164.98587	0.3
177.42058	0.1
186.64558	0.2
197.64445	0.2
222.51724	0.2
224.79385	0.2
242.96092	0.2
253.09392	0.6
254.09669	0.3
255.09889	0.7
255.23311	4.0
256.23605	4.9
257.23892	3.2
257.26535	0.2
258.24136	0.8
261.42212	0.2
499.61176	0.2
502.35681	0.2
555.28198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29235	0.1
56.42564	0.1
58.99992	0.4
59.01242	19.7
65.15848	0.1
67.38556	0.1
69.71661	0.1
71.01247	0.2
78.95760	16.6
78.98450	0.1
79.95617	0.1
80.96369	1.4
85.15057	0.1
85.38002	0.3
85.38490	0.2
94.97943	0.4
96.96788	0.3
122.97491	0.3
122.98444	0.4
140.87141	0.1
152.98492	0.2
152.99493	2.9
164.98540	0.3
168.04199	2.7
194.05864	0.2
224.06889	8.1
225.00729	0.4
237.22211	0.3
242.07976	1.9
255.23288	100.0
256.23639	1.6
376.34796	0.1
389.38620	0.1
454.87762	0.1
480.30975	52.0
481.31415	1.4
495.27533	0.2
513.14508	0.1
555.28430	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	13.2
59.56206	0.5
67.75228	0.5
69.19136	0.5
71.65629	0.6
78.95004	0.6
78.95763	4.8
90.79630	0.6
91.12161	0.6
102.55904	0.5
127.31725	0.6
133.17844	0.6
146.31560	0.5
152.99461	1.0
157.30444	0.6
168.04149	1.1
224.06906	0.7
242.07939	2.2
255.23285	100.0
256.23697	1.5
283.44434	0.6
446.25330	0.7
480.30997	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0935
Annotation	2,3-Dihydro 3''-desoxydicranolomin
Peak:m/z	Relative Intensity
59.01241	59.9
60.01573	4.0
61.01661	1.7
61.98680	2.7
62.34911	1.7
63.28209	1.5
65.00174	3.8
68.99644	2.2
78.95744	4.7
81.45173	1.7
83.01179	2.6
93.79469	1.4
96.95882	3.3
101.02306	2.5
107.01244	8.5
113.49557	1.9
119.04899	16.3
125.02315	3.2
128.03398	2.5
143.04874	3.9
145.02855	2.6
151.00275	14.9
152.99431	4.9
171.04376	2.7
173.02388	3.2
187.03960	4.5
197.06030	2.8
197.11821	1.8
208.94171	1.6
213.05463	3.5
215.03427	16.0
225.05589	2.9
229.05104	5.4
237.05353	1.9
241.05014	1.7
249.58766	1.6
253.05038	2.2
269.04510	7.8
281.04587	3.5
293.04492	2.3
297.04028	34.1
322.04929	3.0
323.05591	15.0
325.03543	100.0
326.04010	4.3
341.06610	12.3
349.03516	4.8
365.06671	28.9
367.04611	45.3
391.04666	15.3
409.05759	25.0
469.09177	2.4
511.10477	9.3
538.40570	1.8
555.09387	78.2
555.26135	7.6
556.09882	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.8
57.03331	2.0
59.00074	0.9
59.01244	51.2
69.03315	1.6
71.01240	26.4
72.99179	1.3
73.02803	11.2
73.03194	0.7
75.00731	0.9
80.95802	0.8
83.01245	7.5
85.02806	15.7
85.03296	0.9
85.03922	0.7
85.90385	0.7
85.99970	0.8
86.50880	1.0
87.00758	2.8
89.02305	4.5
95.01283	1.8
96.95911	1.3
97.02840	2.7
99.00741	3.7
100.99701	0.8
101.02305	25.1
111.00718	4.7
112.01563	1.5
113.02312	12.8
119.03399	1.1
121.02811	4.3
124.88812	0.9
125.02320	4.0
129.01808	1.6
131.51343	0.9
141.68599	1.2
143.03427	3.6
144.81479	1.3
159.02924	2.2
161.04459	5.2
171.07558	0.8
209.04590	3.3
210.04913	1.1
256.43866	0.8
281.00436	0.8
289.16684	2.7
307.17621	7.8
403.19891	1.3
442.08759	0.9
448.45941	0.9
451.21872	100.0
452.22528	2.7
469.22906	52.4
470.23450	2.2
511.23846	6.6
576.88342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	3.1
57.18460	2.1
59.00970	4.9
59.01244	74.0
67.70219	2.7
69.03284	4.3
71.01242	29.6
73.02805	10.0
83.01243	7.2
85.02805	19.3
89.02305	9.4
95.45849	2.6
96.95850	3.4
99.00774	5.2
101.02307	30.5
113.02308	10.8
119.03374	3.8
125.02358	3.2
141.01579	6.0
151.97450	3.0
159.02966	4.3
161.04482	5.2
203.05632	3.7
307.17719	14.8
307.20871	4.1
350.72702	3.2
451.21887	100.0
451.28159	5.0
469.22797	57.5
511.23975	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00882	0.3
57.02063	0.4
57.03317	35.8
57.04433	0.5
58.00455	0.6
58.99901	1.1
59.01242	100.0
59.02404	2.0
59.62390	0.3
60.01597	0.3
63.48342	0.3
69.03313	1.7
71.01240	31.6
71.02795	0.7
72.01585	0.3
72.99174	0.8
73.02805	67.1
73.04435	1.2
74.03112	0.5
75.00736	1.1
79.05391	0.9
80.19845	0.4
81.03321	0.5
83.01239	16.2
83.04881	8.8
83.05358	0.7
85.02801	3.7
85.06438	0.3
87.00715	0.6
88.09662	0.3
89.02298	9.1
91.73310	0.5
94.04110	0.5
95.01241	1.0
96.95882	3.7
97.02818	1.0
99.00739	0.7
100.99388	0.6
101.02303	50.4
101.04925	0.8
102.02656	0.6
107.04887	2.5
109.06451	22.1
111.08017	2.1
113.02306	15.2
115.32925	0.5
119.03357	3.6
121.06462	12.8
123.08011	0.5
125.02331	2.2
131.03365	5.3
133.06433	0.6
137.09625	0.7
141.34886	0.4
143.03378	3.9
147.08002	1.0
149.04437	5.7
155.03378	1.4
157.70724	0.4
158.07298	0.6
161.04448	10.7
161.09624	1.1
163.11122	0.5
167.10651	0.5
172.08797	0.6
173.09570	1.3
177.12798	0.6
187.11221	3.4
189.12775	5.6
198.10452	0.4
203.05534	1.1
213.12781	1.5
215.10684	1.1
216.11536	2.3
219.13847	0.5
221.06599	1.2
229.12286	10.8
231.13873	55.0
232.14241	1.1
245.15459	0.5
247.16966	0.7
289.18115	5.1
292.24765	0.4
480.37817	0.4
537.01611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	29.4
58.00477	0.7
59.00105	1.8
59.01244	100.0
59.02546	1.3
67.63454	0.5
69.03313	1.8
70.99749	0.6
71.01241	33.3
71.02947	0.4
73.01241	1.3
73.02807	73.5
73.04585	0.9
75.00736	0.7
76.32185	0.4
79.05393	1.4
81.03326	0.6
83.01243	16.8
83.04884	7.4
84.01615	0.4
85.02806	5.4
87.00745	0.7
87.02490	0.4
87.94941	0.4
89.02301	9.7
94.04095	0.9
95.01250	1.1
96.95872	12.3
97.02812	1.4
98.07273	0.4
99.00735	0.8
100.99757	0.7
101.02305	51.9
101.05180	0.6
107.04882	1.9
109.03590	0.4
109.06457	20.2
111.08001	1.6
113.01557	0.8
113.02312	14.8
119.03352	3.4
121.06458	9.0
123.08027	0.7
125.02299	2.7
131.02597	0.5
131.03386	5.4
143.03365	4.2
149.04449	6.1
155.03355	1.4
158.07242	0.5
159.27444	0.4
161.04460	10.2
161.09621	0.8
163.11128	0.5
173.09575	1.4
187.11217	2.7
189.12753	4.1
203.05495	1.2
213.12669	1.0
215.10675	1.2
216.11423	1.7
221.06573	1.4
229.10237	0.6
229.12309	9.5
230.12674	0.5
231.13882	41.9
232.14206	0.8
241.11455	0.5
247.17017	0.9
289.18161	2.5
393.43094	0.5
419.34186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.7
57.03316	15.4
58.00462	0.5
58.75539	0.5
58.99910	0.9
59.01242	100.0
59.02424	1.8
61.32796	0.4
69.03326	1.0
71.01240	23.7
71.06834	0.5
72.99167	0.8
73.02805	52.7
73.04435	0.7
74.92106	0.5
75.00736	0.7
79.05398	0.6
81.03321	0.7
83.01237	13.1
83.04891	4.6
85.02809	3.1
89.02293	7.2
95.01234	0.6
96.95890	2.2
97.02802	0.7
99.00755	0.7
101.02303	39.6
101.04956	0.6
107.04896	1.0
109.06448	10.5
109.07137	0.6
111.08038	0.8
113.02307	10.5
118.70150	0.4
119.03329	2.3
121.06467	5.0
125.02327	1.3
131.03368	3.9
143.03387	3.0
149.04413	3.9
155.03406	1.0
161.04449	8.3
173.09618	0.6
187.11269	1.5
189.12796	2.4
203.05589	0.8
221.06656	0.6
229.10139	0.9
229.12317	5.4
230.51642	0.6
231.13882	19.5
268.37396	0.5
289.18231	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.9
59.01244	100.0
59.02305	1.7
59.47614	1.4
71.01248	20.5
73.02809	17.0
82.38383	1.4
82.95290	1.7
83.01275	3.9
85.02795	3.8
87.00736	2.5
89.02301	11.8
96.95856	5.0
101.02304	18.0
101.82490	1.5
102.05481	1.8
108.08080	1.8
111.08029	1.9
111.76196	1.5
113.02321	11.9
118.53003	1.6
119.03343	3.1
128.03418	5.7
131.34630	1.4
143.03381	2.2
152.07115	2.5
161.04469	4.7
184.63597	1.6
186.63904	2.0
195.10208	1.9
226.77335	1.6
242.80742	1.7
269.12891	2.3
295.11188	1.7
367.12952	2.5
408.53766	2.0
409.14160	9.1
427.14935	3.1
451.23264	2.6
469.24454	6.3
511.25311	3.8
520.16766	2.2
556.19104	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2847
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
51.65461	0.2
51.97109	0.2
52.96983	0.3
54.72806	0.2
57.03311	0.2
59.01237	0.9
59.39831	0.2
63.96093	1.0
66.04144	0.2
67.20135	0.2
69.03305	0.6
70.39735	0.2
71.00871	0.4
71.01241	6.5
72.99166	0.2
73.02811	1.6
78.98451	5.6
79.92587	0.2
79.95123	0.4
79.95592	7.9
80.94419	1.0
80.96375	58.7
80.98064	0.6
81.03310	0.7
83.01231	0.2
85.02814	2.6
87.00723	2.3
94.97944	14.8
96.95867	0.9
97.02825	1.4
99.00751	0.5
101.02308	2.1
102.78505	0.2
106.97957	2.9
113.02292	0.4
120.00639	0.2
122.97447	5.9
123.48167	0.2
125.02324	2.7
127.03881	0.9
134.97459	4.4
136.99043	1.2
137.29343	0.2
146.97478	0.2
148.99026	4.8
152.97269	0.4
152.98523	7.0
164.98537	10.3
171.56319	0.2
179.00200	0.3
182.99619	2.2
188.98582	0.4
193.39760	0.2
206.99644	3.6
211.87900	0.7
224.04822	0.2
225.00711	17.2
235.32924	0.3
243.01808	2.0
255.23282	4.2
281.25031	0.6
299.04373	2.8
317.05676	0.3
555.28479	100.0
556.28729	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29535	0.3
59.01235	0.7
63.96090	0.6
69.03289	0.4
70.37272	0.3
71.01236	6.1
73.02807	1.8
78.98448	4.5
79.95588	7.7
79.96029	0.6
80.94504	1.0
80.96371	56.9
80.98479	0.7
84.00866	0.4
85.02805	2.5
87.00729	2.9
94.97942	14.1
96.95875	1.1
97.02818	1.8
99.00677	0.4
101.02284	3.0
106.97942	3.6
122.97447	5.7
125.02280	3.1
127.03883	1.0
134.97452	4.7
136.99019	1.2
148.99017	5.2
152.98518	7.7
164.98524	10.4
173.99922	0.3
182.99646	1.8
206.99640	3.3
211.87924	1.5
225.00703	17.7
243.01797	1.6
255.23259	3.2
276.18475	0.4
299.04407	2.3
376.59695	0.3
475.71320	0.5
505.79053	0.4
555.28473	100.0
556.28784	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.5
61.97414	0.5
61.98691	27.3
63.96100	1.0
66.75328	0.4
69.03316	0.6
71.01236	6.8
73.02795	1.7
77.21086	0.3
78.98444	6.2
79.95586	8.6
79.96031	0.6
80.94435	1.0
80.96371	60.8
80.98510	0.6
81.03329	0.4
84.93343	0.4
85.02796	3.4
87.00727	2.5
94.97936	15.4
96.95871	0.7
97.02806	1.9
101.02316	2.3
104.16545	0.4
106.97931	3.1
122.97443	2.7
125.02321	2.4
127.03855	0.9
134.97437	4.6
136.99022	1.6
139.79588	0.6
148.98999	5.7
152.98520	6.2
164.98537	11.3
206.99614	2.6
211.87968	1.5
225.00702	15.5
255.23349	2.5
258.24072	0.5
294.05685	0.5
298.44327	0.4
299.04434	3.7
302.18985	0.4
555.28442	100.0
556.28546	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.3
57.32071	1.2
58.77055	1.0
59.01234	1.7
59.86528	1.3
71.04887	8.8
72.13260	1.1
72.66943	1.1
75.71072	1.0
83.04893	1.7
84.15812	1.2
95.04891	1.8
97.02803	5.4
97.06433	5.9
99.00731	26.2
109.06433	1.7
110.44276	1.1
123.08009	4.1
125.09602	16.5
153.12706	1.4
163.11198	25.0
177.94400	1.2
181.12257	65.0
197.11824	1.8
199.13336	20.1
207.10205	52.5
225.11288	95.2
226.22733	1.3
241.41402	1.4
243.12364	44.0
255.23291	100.0
299.14972	14.1
317.16098	32.8
349.02667	1.4
352.34106	1.5
418.37692	1.4
503.59668	1.4
555.39020	67.6
558.58447	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79373	0.6
59.01255	1.3
60.34451	0.7
60.64658	0.6
61.98679	0.7
68.68219	0.7
72.15673	0.6
78.95753	8.8
86.75842	0.7
102.81353	0.7
125.97871	0.8
140.01031	2.8
196.03729	3.0
214.04799	2.7
219.88814	0.9
228.73328	0.8
277.21735	100.0
278.22128	2.7
290.59238	0.9
402.87723	0.9
474.26270	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24099	0.3
55.50249	0.3
71.01231	0.4
78.95762	4.7
79.42953	0.4
79.95564	0.7
80.96368	4.1
87.00744	0.4
88.60767	0.4
92.32986	0.7
92.33516	0.5
94.97929	1.0
101.96270	0.3
121.63448	0.4
124.84072	0.3
152.99516	0.6
161.56841	0.4
164.98492	0.9
168.04192	1.4
178.64833	0.5
224.06927	1.1
225.00595	0.9
242.07976	2.1
256.23706	0.4
281.24860	100.0
282.25266	2.5
506.32532	27.7
507.32782	0.7
536.97388	0.4
555.28387	0.5
556.28625	6.6
557.28448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04169	0.5
59.01240	3.2
59.88564	0.5
68.12627	0.6
71.01215	1.5
73.02814	0.8
78.95737	1.1
79.95592	1.9
84.98866	0.6
91.72804	1.4
96.93295	1.5
96.95864	100.0
101.02324	0.8
102.61552	0.6
113.02312	0.7
128.03363	0.7
152.99474	1.0
159.51120	0.8
200.19444	0.7
251.67416	0.9
267.09183	3.1
293.10724	0.7
293.29776	0.8
309.10226	2.5
329.23099	1.2
329.84375	0.8
355.17352	0.8
373.18875	0.8
393.12360	1.8
411.13220	2.2
415.19760	2.3
453.14316	2.3
471.15396	1.8
536.53503	0.8
557.27338	2.2
565.94904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85120	0.2
54.59797	0.2
59.01242	1.9
64.34272	0.2
71.01233	0.8
72.28277	0.3
72.99159	1.3
75.00731	20.0
75.02526	0.3
82.02836	0.3
84.04389	0.3
87.00713	0.4
89.02299	4.5
89.99256	0.2
96.95874	1.6
117.01801	1.6
128.03406	8.4
130.08604	7.0
133.02832	2.0
135.02869	100.0
135.04327	5.5
135.07143	1.0
136.03212	0.6
152.91792	0.3
161.02319	3.5
177.01904	0.6
179.03403	4.8
179.11662	0.3
197.12851	0.7
223.10869	0.8
241.12021	0.8
259.13010	7.2
259.15802	0.4
297.06122	12.7
496.09375	0.3
557.21436	1.1
584.97290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07732	0.5
58.00442	0.7
58.99956	1.8
59.01241	100.0
59.02372	1.3
69.03315	1.9
71.01237	32.2
72.99172	1.2
73.01074	1.1
73.02804	77.2
73.04357	1.1
75.00743	0.5
83.01241	16.1
85.02808	4.2
89.02293	11.8
95.01247	1.3
96.95848	1.2
97.02804	1.1
99.00697	1.1
101.02302	59.7
110.17780	0.5
113.01561	0.9
113.02300	15.0
119.03397	4.6
125.02281	2.8
131.03377	5.3
134.15562	0.8
143.03401	4.8
149.04462	6.5
155.03366	1.6
161.04460	14.6
173.59436	0.6
202.73274	0.5
203.05478	1.5
221.06488	1.9
250.69554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31624	0.4
51.73815	0.4
55.06877	0.3
59.01231	1.1
59.39090	0.4
61.98669	0.4
75.66302	0.5
78.94025	1.1
78.95760	100.0
78.97717	1.4
96.95848	1.7
96.96822	23.8
111.69717	0.4
112.64460	0.4
125.88877	0.4
128.03407	0.5
185.56018	0.4
202.83455	1.2
235.94791	0.5
240.02698	3.8
282.03851	49.2
302.25473	0.5
342.05869	0.5
350.02454	0.5
356.06845	1.3
371.75568	0.5
388.61865	0.5
558.23236	41.4
559.23505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.7
71.01237	3.0
72.70109	1.6
73.02775	2.5
76.18829	1.6
81.03789	1.6
84.04379	3.1
85.98763	1.8
96.95858	8.9
101.02297	2.6
102.05460	30.7
119.80536	1.8
128.03406	77.3
128.13197	1.9
131.75931	1.8
135.04431	2.5
146.04492	8.8
156.32640	1.7
163.00269	2.5
221.19054	7.5
224.59003	2.5
265.18112	7.4
270.53293	1.9
283.19119	11.3
299.05484	2.0
301.20218	16.0
324.25211	3.7
367.41138	1.8
379.48965	2.0
386.25635	6.1
412.23209	2.7
430.24460	13.6
505.06961	1.9
541.27368	3.0
559.08875	3.9
559.28693	100.0
560.28967	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78587	2.1
59.01257	1.9
61.98684	3.4
65.31348	1.8
72.99170	11.9
75.00730	69.7
75.46057	1.7
90.74780	1.8
92.52151	2.0
106.80302	2.1
185.11836	5.2
188.44662	2.3
201.11342	3.3
229.10901	4.8
239.23557	2.5
255.23354	15.1
303.14505	2.4
321.15475	3.6
356.09149	2.7
559.38660	100.0
560.38690	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.9
59.01242	100.0
59.02377	1.8
67.70999	1.8
69.03339	3.8
71.01239	62.2
72.99178	2.8
73.02831	8.7
73.12989	1.7
81.03300	2.1
83.01273	6.8
85.02794	23.0
86.04460	2.0
87.00767	5.7
89.02293	43.1
95.01264	5.1
96.52653	1.9
96.95919	3.3
97.02810	11.0
99.00739	15.2
101.02290	41.7
107.04884	32.4
113.02310	33.6
119.03359	30.9
124.01529	14.2
125.02303	24.2
128.03448	3.6
137.02362	3.0
138.47897	2.2
139.03926	2.4
143.03386	17.1
151.03911	13.2
161.04436	18.0
163.50974	2.2
178.02621	2.3
179.05609	7.8
192.88670	2.4
193.05060	4.4
203.05623	4.1
212.68727	2.7
215.07141	9.1
221.06783	3.9
236.91301	2.3
245.06633	25.3
263.07855	8.2
287.07800	3.4
305.08728	4.6
323.09985	9.1
365.10861	13.8
413.14639	3.2
431.15747	9.7
473.16711	3.7
517.15540	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	7.0
57.03312	5.9
59.01243	95.5
71.01241	92.5
71.01601	7.6
73.02805	8.0
75.01633	5.3
81.03338	7.5
83.01251	14.7
85.02804	66.8
85.03217	5.0
85.60780	6.5
86.50076	5.4
87.00714	7.1
89.02288	30.8
95.01283	6.8
96.95908	9.3
98.77944	5.8
99.00728	57.6
101.02302	42.5
103.03873	7.0
106.85264	5.9
107.04890	54.7
109.02825	7.9
113.02324	65.1
119.03391	11.9
120.82111	6.5
125.02382	15.8
127.68197	7.1
128.03447	6.4
130.03668	5.9
137.02373	11.0
142.74336	5.7
143.03395	41.8
151.02866	7.4
151.03883	36.7
155.03493	7.3
159.26982	7.0
161.02393	14.2
161.04509	16.9
162.02699	9.0
179.05580	11.1
189.52890	6.8
203.05602	15.9
232.09367	6.5
323.10013	13.0
365.11023	21.2
431.15942	7.1
468.52441	8.4
482.55035	7.9
517.15668	100.0
518.15985	9.1
525.80548	7.7
561.19672	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14940	0.3
67.60605	0.3
70.61346	0.3
72.99155	1.4
74.99163	1.2
75.00731	100.0
75.02522	1.4
77.25710	0.3
89.74268	0.4
105.25625	0.4
110.39452	0.4
310.45880	0.4
475.20883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	19.6
59.71494	2.0
61.59291	2.0
61.98699	11.3
62.60035	1.9
66.52105	1.8
71.01246	6.9
73.02805	3.2
75.63451	2.0
77.93731	2.2
83.04912	4.4
84.83544	2.3
85.02785	3.4
89.02309	7.9
94.34853	2.4
96.95882	2.5
101.02306	7.7
101.99612	2.2
109.19622	2.5
112.05179	2.3
113.02299	5.6
119.03385	3.9
125.09595	5.0
127.07520	3.6
128.03398	2.9
135.08070	3.7
145.36536	2.3
153.09090	15.7
155.10652	2.4
161.04430	4.6
163.11166	5.3
165.12781	4.6
169.16519	2.5
171.10156	24.0
178.09947	3.8
181.34213	2.6
185.11740	9.0
197.11778	12.2
209.11769	73.2
238.12151	4.5
245.19205	2.9
253.09309	31.2
256.13409	3.5
289.18143	14.7
307.19180	100.0
325.20190	48.7
474.21060	5.8
481.04819	3.0
543.28241	22.1
561.29065	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43907	0.7
57.12760	1.6
59.01244	22.1
62.32007	0.8
65.84234	0.7
71.01242	13.8
73.02799	6.0
74.02306	1.2
83.01234	2.5
84.04410	3.6
85.02803	3.2
87.00729	2.3
88.98651	1.9
89.02304	4.2
91.72758	1.5
96.95878	5.4
99.00710	1.0
101.02302	10.6
102.05472	52.2
102.08171	1.0
111.08000	1.1
113.02312	3.4
119.03377	1.8
128.03409	90.5
128.07213	1.4
139.11116	1.2
140.16080	1.0
140.38010	1.0
143.03365	1.2
146.04471	18.2
149.04272	0.9
167.10680	2.6
185.11729	8.1
212.21843	0.9
329.16150	3.3
329.84644	1.4
347.17130	21.4
389.18185	37.9
390.18796	1.3
432.22552	3.4
474.23895	2.6
476.21579	2.8
500.21356	11.1
506.13226	1.5
518.22461	100.0
519.22778	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33902	3.2
61.50949	3.2
61.98706	9.1
65.90205	3.7
78.54475	4.0
78.95776	9.5
199.13367	11.9
279.19830	10.1
347.25897	6.6
349.47351	4.7
365.27029	100.0
380.31119	4.9
562.31488	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32107	0.9
59.01243	10.0
67.19983	0.9
68.28446	1.1
71.01231	5.1
72.99157	2.7
73.02791	4.0
74.21198	1.0
75.00733	20.2
78.55578	0.9
82.87172	1.0
85.61224	1.1
87.00706	8.0
89.02312	11.9
92.43678	1.2
96.95869	22.0
101.02326	3.2
113.02242	1.4
117.01780	10.6
119.04892	48.4
125.61111	1.3
128.03357	2.1
135.02873	98.7
145.02826	1.7
163.03909	100.0
163.09561	1.2
179.05626	1.6
245.82034	1.2
281.06696	18.3
299.11493	7.1
315.10919	2.6
459.01050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65726	0.3
72.99170	1.2
74.98988	1.6
75.00732	100.0
103.90388	0.5
105.30357	0.5
133.38234	0.4
139.42380	0.5
202.07410	0.4
277.21652	0.9
298.62540	0.4
299.94617	0.4
427.21271	0.5
483.62015	0.5
505.26300	0.5
575.63416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.2
60.28747	0.2
69.23653	0.2
71.01234	1.6
71.20148	0.2
72.99173	0.3
73.02808	0.7
75.00730	1.8
79.95580	1.8
80.37492	0.2
87.00732	0.6
88.03900	0.3
89.02306	0.5
91.68794	0.2
96.93546	1.3
96.95869	100.0
96.98557	1.3
104.09409	0.3
114.93299	0.2
117.01839	0.7
119.04906	3.1
120.05224	0.9
128.03360	0.4
128.07095	0.2
135.02875	7.7
136.03195	1.1
146.08113	1.7
163.03915	6.9
164.04227	2.5
175.32011	0.2
250.89349	0.2
274.06241	0.6
281.06647	1.1
282.06995	0.6
308.13498	0.4
362.14575	0.3
370.08582	0.4
380.15903	0.5
400.09299	1.3
418.10449	1.1
422.16718	4.1
423.17242	0.3
460.11542	0.8
478.12573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0481
Annotation	Udp galactose
Peak:m/z	Relative Intensity
51.11066	0.3
52.46208	0.3
57.13866	0.3
59.01240	1.4
61.98699	0.4
62.96262	0.8
71.01253	0.8
75.91670	0.3
78.03002	0.4
78.93721	1.1
78.95761	100.0
78.97546	1.5
89.02279	1.0
94.54105	0.3
96.96822	39.7
96.99261	0.6
101.02304	0.5
111.01872	8.3
120.96832	2.4
131.13530	0.3
137.52211	0.3
138.97887	2.5
150.97911	3.1
152.09813	0.3
158.92435	17.7
168.98944	0.4
173.16550	0.4
174.97910	1.3
176.93556	1.0
192.99075	1.9
211.00052	4.9
223.00272	0.3
241.01189	10.1
272.95749	5.3
280.02243	2.3
305.01871	1.4
308.86288	1.3
320.97772	3.1
323.02875	59.8
324.03235	1.0
384.98425	4.6
402.99545	1.4
504.16473	1.0
505.16809	0.5
565.04846	23.5
566.05347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62329	0.2
58.99442	0.3
59.01239	0.5
61.18971	0.2
61.98688	0.3
63.17336	0.2
79.95592	1.7
82.47877	0.2
96.95869	100.0
96.98449	1.4
105.90404	0.2
128.03403	1.7
152.06194	0.2
162.80167	0.2
171.07721	0.7
183.99194	3.6
193.05913	0.7
198.97977	0.3
199.96922	4.1
225.00208	0.4
225.98444	0.7
226.00334	2.4
227.03546	0.3
240.99438	0.3
241.01698	0.3
242.03442	0.2
243.01207	0.9
249.05482	1.6
251.14738	1.8
268.99112	0.5
269.04550	0.8
269.97693	0.3
271.02676	0.5
287.00211	16.4
305.01294	0.6
346.96829	0.4
347.02307	1.2
399.09729	0.2
421.38437	0.2
469.94583	0.2
505.16962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07137	0.1
61.59748	0.2
61.97415	1.7
61.98693	100.0
62.00104	1.4
74.86668	0.2
78.95791	0.4
91.72958	0.4
96.96881	0.2
107.46149	0.2
120.38255	0.2
127.86502	0.2
180.83661	0.2
193.63115	0.2
241.01076	0.2
249.89420	0.2
284.58890	0.2
503.16293	0.5
566.16089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02828	2.1
59.00058	1.6
59.01242	100.0
64.51152	1.9
64.62348	1.8
65.50066	1.6
71.01244	9.0
73.02805	3.5
83.01231	3.4
85.02798	3.0
87.00744	2.4
89.02296	44.5
96.95859	7.5
99.00732	3.0
100.03873	3.3
101.02293	16.0
113.02306	5.6
128.03378	3.3
159.04962	1.7
161.04463	3.6
173.33963	1.9
180.19952	2.1
186.24377	2.3
202.45323	1.9
207.08682	34.1
230.73201	2.2
232.08253	3.7
249.09795	12.6
256.38867	2.0
274.09338	79.0
304.06195	2.5
330.76447	2.7
350.91394	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0726
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
55.35331	0.3
55.35555	0.3
59.01242	0.6
63.02275	0.8
65.00185	2.9
65.00464	0.3
71.07565	0.2
79.20620	0.2
83.01254	1.5
93.03327	0.9
107.01254	4.1
108.99195	0.3
109.02796	0.4
116.89915	0.6
116.90701	0.6
117.03378	0.3
121.02824	1.0
123.04411	0.8
125.02325	1.2
132.02036	0.5
133.02835	2.0
133.05168	0.2
135.04391	2.8
139.03946	0.9
145.02802	0.5
149.02324	1.9
151.00259	7.4
151.03893	0.7
159.04434	0.5
160.01549	0.5
161.02368	0.4
165.01863	0.9
167.04895	0.6
169.02867	0.3
171.04440	0.8
173.02417	0.4
174.03175	0.3
175.03902	1.2
176.88487	0.4
177.01840	0.9
181.06633	0.4
183.04541	0.7
185.06004	0.3
187.03964	0.5
189.01978	0.3
193.06534	0.5
195.04459	1.5
197.05962	0.5
199.03981	1.1
201.01848	0.4
203.03487	0.4
204.05725	0.3
205.06511	0.3
209.06039	0.7
211.04036	1.7
215.03534	0.6
221.06125	0.4
223.03969	0.9
223.07607	0.4
225.05563	0.3
227.03528	1.1
233.06067	0.7
235.03946	1.0
236.04710	0.3
237.01863	0.3
237.05534	0.7
239.03491	4.2
240.04178	0.3
241.05006	1.4
243.02974	0.3
247.07782	0.3
248.04980	0.3
249.05508	1.0
251.03491	0.5
251.07211	0.7
253.01416	0.4
253.05119	0.5
255.03008	1.1
256.03629	0.4
261.05597	0.5
263.03662	0.6
263.07175	0.5
264.04324	0.5
265.05194	0.8
266.02252	0.4
267.03027	2.9
267.06442	0.4
269.04456	0.6
273.05374	0.5
275.07190	0.7
277.05008	1.3
279.03055	0.3
279.06683	0.4
281.01663	0.3
281.04550	1.8
283.02551	0.6
284.03168	1.5
285.04037	2.3
289.05145	0.6
291.06714	1.7
293.01175	0.5
293.04660	1.5
295.02664	0.6
295.06198	0.9
297.04037	1.6
301.04727	0.5
303.06644	0.6
304.03604	0.7
305.04559	2.4
306.05115	0.3
307.02414	0.5
307.05786	0.4
315.06665	0.4
317.04581	0.9
317.08029	0.4
318.05173	0.5
319.06110	2.1
321.04126	1.9
322.04797	1.0
323.05682	2.8
325.03561	2.8
327.06708	0.4
329.04724	0.3
331.02414	0.3
333.04208	0.5
334.04858	0.4
335.05670	1.1
341.08066	0.3
343.05872	0.3
345.04111	0.8
345.07953	0.5
346.04837	0.8
347.05606	4.3
349.03506	2.2
357.03705	0.4
361.03589	0.8
361.07645	0.3
362.04193	0.5
363.05173	1.9
373.03577	0.7
374.04272	0.3
389.06622	0.9
390.03922	2.2
391.04639	43.9
392.04974	1.2
403.04700	0.9
405.02661	0.8
415.04553	0.4
417.01712	2.1
417.06699	1.0
419.03629	0.3
433.05945	0.4
443.03925	0.4
459.07339	0.4
479.07870	0.3
483.06979	0.7
497.08389	0.4
501.08450	0.6
507.07227	0.7
525.08472	0.4
541.07501	0.5
549.36121	0.3
551.06360	1.0
569.07281	100.0
570.07568	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35326	0.4
55.35545	0.4
56.08822	0.3
59.01244	7.3
59.01514	0.5
63.02263	0.9
65.00209	1.5
71.01260	0.4
73.02823	0.5
83.01260	0.9
93.03313	0.5
96.95900	0.8
101.02298	0.5
107.01254	3.3
109.02828	0.5
116.89922	0.7
116.90776	0.9
123.04414	0.7
132.02086	0.6
133.02869	1.8
135.04405	3.3
139.03943	0.5
143.85706	0.4
149.02351	1.6
151.00262	7.0
167.05040	0.5
171.04436	0.7
173.02298	0.5
175.03928	0.7
177.01869	0.9
183.04472	1.0
189.05573	0.6
195.04512	1.2
199.03960	0.9
203.03459	0.4
209.06116	0.9
211.03949	0.9
213.05574	0.9
215.03519	0.6
227.03497	0.8
228.15674	0.5
233.06125	0.8
237.05580	0.9
239.03514	1.5
249.05388	0.5
251.07008	0.5
261.05704	0.4
267.02972	0.7
269.04709	1.1
277.05106	1.1
283.02591	0.6
285.04037	1.7
291.06708	0.6
293.04578	1.5
297.04099	2.4
303.06479	0.5
307.06027	0.5
309.03897	0.7
317.04831	0.7
319.05939	1.9
321.04022	4.1
322.04697	0.9
323.05643	5.2
325.03592	7.7
333.03952	0.7
334.04803	0.7
335.05682	1.4
346.04861	1.0
347.05649	4.0
348.06320	0.5
349.03555	4.1
351.01541	0.8
361.03461	1.4
363.05283	1.9
389.06796	0.7
390.03818	2.0
391.04639	52.2
392.05096	1.5
405.02600	2.5
406.03287	0.7
415.04340	0.7
417.01840	2.8
417.07211	0.7
433.01718	0.9
435.03503	0.5
459.03290	0.5
469.09229	0.5
507.07062	0.6
541.07495	1.0
551.06262	1.8
569.07275	100.0
570.07581	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35555	0.5
59.01243	19.0
59.49067	0.3
60.10418	0.3
61.98677	0.4
63.02251	0.9
63.03802	0.4
65.00175	1.2
66.97776	0.4
69.93517	0.4
71.01224	0.4
75.00707	0.6
83.01221	1.2
89.63227	0.4
92.95084	0.4
101.96967	0.4
102.79690	0.4
105.21818	0.4
106.48463	0.4
107.01247	2.1
107.50829	0.4
108.02013	0.5
109.02813	5.0
111.10701	0.4
114.05373	0.4
114.21336	0.4
116.89962	0.8
116.90694	0.8
128.38441	0.5
131.31886	0.4
133.02835	11.5
136.83235	0.4
141.03308	0.4
149.02350	0.7
151.00259	6.6
151.03937	0.6
167.04924	0.7
173.02345	1.4
175.03944	1.1
183.04384	0.5
189.05403	0.6
195.04410	0.8
199.03957	0.7
207.04559	0.5
211.04007	0.7
217.01447	0.5
227.03366	0.5
235.04004	0.6
237.05664	0.6
239.03438	1.3
241.05086	0.8
247.07616	0.5
261.05692	0.6
269.04578	1.7
275.07224	0.6
277.05139	0.4
281.04568	0.7
285.04004	1.3
291.06714	1.4
293.04602	1.2
297.04010	0.6
303.06534	0.8
305.04715	0.5
317.04568	0.9
319.05988	2.4
321.04077	3.6
323.02161	1.0
323.05637	4.6
325.03561	14.2
335.05621	0.9
347.05609	7.5
349.03561	3.2
351.01379	1.6
359.05566	1.3
361.03311	1.1
361.07333	0.7
363.05063	1.7
371.05508	0.5
373.03494	0.7
387.05270	0.9
389.02591	0.7
389.06851	1.6
390.03354	0.5
391.04626	42.8
392.04956	1.4
415.04605	7.9
417.02487	1.9
420.41397	0.6
433.05682	14.0
434.05817	0.7
459.03644	2.4
551.06274	1.2
569.07300	100.0
570.07483	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40530	0.1
51.54901	0.2
53.00536	0.2
53.12278	0.1
53.20950	0.1
59.01244	0.7
61.98698	0.4
63.02259	0.7
65.00185	2.4
65.15398	0.1
69.45406	0.2
71.04895	0.2
71.35442	0.1
76.77004	0.2
83.01243	1.6
89.03840	0.2
93.03306	0.5
95.01270	0.2
96.95851	0.9
100.12074	0.2
105.43667	0.4
105.44399	0.4
107.01242	3.8
109.02806	0.9
117.03339	0.8
121.02824	0.6
121.99959	0.2
124.01492	0.2
125.02303	0.9
130.04166	0.2
131.04871	0.4
132.02071	0.3
133.02827	3.9
133.06517	1.0
133.97917	0.2
135.00757	0.3
135.04396	0.4
139.03908	0.8
142.33519	0.2
143.04921	1.1
145.02831	1.5
146.03635	0.4
147.04408	0.9
148.94206	0.2
149.02382	1.0
151.00256	7.3
155.04922	0.5
157.02885	0.4
157.06451	0.2
159.04402	1.2
161.02356	0.7
161.05988	1.9
163.03847	0.3
165.01822	0.6
167.04965	0.6
169.01389	0.2
169.02792	0.3
169.06410	0.5
171.04401	1.9
172.05193	0.3
173.02351	3.2
173.05957	0.3
174.03131	2.2
175.03925	1.3
177.01868	0.6
180.05801	0.2
180.84975	0.2
181.06519	0.6
182.03690	0.3
183.04445	1.8
185.02328	0.4
185.05991	0.4
187.03920	1.5
188.04697	1.1
189.01868	0.4
189.05492	6.1
195.04369	1.0
196.05212	0.5
197.02386	0.7
197.06041	1.6
197.20004	0.2
198.03210	0.4
199.03952	3.3
200.04410	0.2
201.01903	0.5
201.05521	0.4
202.39246	0.4
203.03471	0.3
207.04507	0.5
209.02405	0.2
209.06039	0.7
210.03142	0.4
211.03905	2.3
212.04697	0.3
213.05537	0.8
215.03459	1.7
217.04985	2.6
217.06805	0.2
223.04012	1.1
224.04739	0.4
225.05550	1.8
227.03476	1.7
228.04001	0.2
229.04926	0.5
233.06097	0.2
235.03802	0.4
235.72298	0.2
237.01985	0.2
237.05534	0.5
239.03508	1.5
240.04350	0.4
241.05043	1.7
243.03024	1.6
247.69881	0.2
249.05484	0.2
251.03529	0.7
253.05023	1.6
255.02895	1.2
256.03766	0.4
257.04422	0.4
259.07642	0.2
261.05688	0.3
263.03543	0.4
264.04126	0.3
265.05035	0.2
267.03003	1.3
269.04550	6.1
269.07352	0.4
270.04773	0.2
271.07715	0.2
274.06570	0.2
277.05161	0.2
279.02969	1.3
280.03714	0.3
281.04593	1.2
283.02518	0.7
284.03314	0.9
285.04028	2.6
287.07184	0.3
289.08710	0.3
293.04565	0.5
295.02499	6.3
295.05865	0.3
296.02887	0.2
297.04053	23.7
298.04379	0.4
299.07083	0.5
307.02521	0.8
315.06625	0.3
317.04761	0.3
317.08145	0.4
319.06100	0.4
321.04150	0.5
322.04971	0.3
323.02008	2.5
323.05664	0.3
324.02536	0.3
325.03546	54.8
326.03876	1.3
327.06644	0.4
329.04700	0.3
329.08243	0.3
343.06317	0.3
345.07693	0.7
347.05579	0.9
349.03607	0.5
351.01465	14.0
352.01849	0.6
359.05658	0.4
360.06122	0.2
367.04379	0.4
373.07413	0.3
388.05774	0.3
391.04584	0.7
403.04684	0.6
405.02728	0.4
415.04520	0.3
417.06165	0.5
451.08691	0.4
469.09427	0.4
479.08243	1.0
497.08832	0.8
525.08453	0.6
551.06464	1.1
552.06860	0.2
569.07281	100.0
570.07544	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76768	0.5
58.04355	0.6
59.01257	3.0
63.02258	0.7
64.67388	0.5
65.00182	1.8
66.12023	0.5
71.01264	0.7
83.01251	1.2
84.90587	0.5
88.70438	0.5
91.38310	0.6
94.15836	0.6
95.52478	0.5
96.95930	0.7
101.02322	0.5
106.53883	0.5
107.01233	3.2
109.02810	3.0
117.03267	0.5
133.02832	16.6
135.04401	0.7
147.04268	0.7
151.00281	6.0
159.04407	1.6
161.02310	0.7
164.02232	0.6
167.04947	0.9
171.10309	0.6
173.02341	2.1
174.03053	0.8
175.03931	2.8
187.03949	1.3
195.04315	0.7
199.03917	1.5
201.01845	0.9
209.06017	0.7
215.03381	0.8
217.04985	1.0
225.05434	0.6
241.05003	1.2
243.02948	1.0
253.05040	1.0
255.03128	0.8
267.02942	0.8
269.04599	4.8
284.03210	1.2
285.03955	1.5
291.06638	0.8
293.04449	0.9
295.02588	1.0
297.04047	2.2
317.04782	0.7
319.05945	0.9
321.04086	1.6
323.05615	2.3
325.03552	26.7
333.23196	0.7
335.05624	0.9
347.05600	5.7
349.03519	2.4
351.01486	1.8
363.05292	1.2
378.10159	0.8
389.06671	3.2
391.04654	14.2
392.04968	0.8
399.05020	2.3
408.48361	0.8
415.04666	2.6
417.06708	4.6
433.05789	4.4
438.47876	0.6
459.03656	0.9
483.07382	1.0
551.06152	7.7
569.07281	100.0
570.07672	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07271	2.2
59.01243	16.5
65.34354	2.6
67.80673	2.4
68.64697	2.1
71.01254	2.9
71.01839	2.6
73.02820	4.3
78.95734	2.8
81.47616	2.5
89.02296	2.6
96.95878	12.7
111.89453	2.6
125.02361	6.4
128.80119	2.7
133.02808	4.1
133.15594	3.4
137.02376	5.3
142.01518	3.0
145.02879	3.3
151.00279	5.8
165.01816	29.8
173.02461	3.8
211.04105	5.2
224.30399	3.0
227.48555	3.0
256.52505	3.3
260.20490	3.8
269.00922	4.2
317.04880	4.4
325.03787	7.4
347.05807	7.0
391.04724	13.2
403.04599	47.2
417.06360	33.9
569.07312	100.0
571.67291	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34896	0.1
57.03318	0.1
59.00972	0.1
59.01247	2.0
60.20507	0.1
67.38458	0.1
71.01235	0.4
72.91741	0.1
73.02805	0.8
74.64979	0.1
75.00747	0.1
78.95772	0.5
79.95587	2.1
83.01249	0.3
89.02290	0.1
96.93419	1.5
96.95870	100.0
101.02309	0.6
107.01298	0.1
113.02296	0.3
114.93285	0.6
124.33803	0.1
132.98007	0.1
141.01675	0.2
151.00279	0.2
156.98947	0.3
161.04541	0.2
165.01833	0.3
185.06932	0.1
205.12320	0.6
228.69704	0.1
239.03391	0.1
323.05560	0.2
330.28546	0.1
391.04889	0.2
403.04794	0.3
421.99292	0.1
459.14053	0.1
483.15628	0.3
526.15515	0.1
535.53320	0.1
569.06976	1.3
570.08020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.4
63.44384	0.2
71.01241	0.9
72.49177	0.2
73.02809	1.0
75.00723	0.4
78.95763	0.2
79.95589	1.8
83.01250	0.5
83.04868	0.6
89.02300	0.6
96.93576	1.1
96.95870	100.0
96.98531	1.3
101.02303	1.5
113.02290	0.5
114.93279	0.7
118.96512	0.3
119.03361	0.4
119.04892	0.9
121.06512	0.3
123.89663	0.3
128.03418	0.5
156.54543	0.2
157.01172	0.3
159.10086	0.3
163.03937	1.1
221.06619	0.6
303.09332	0.3
363.84348	0.3
471.35413	0.3
503.63013	0.2
513.93768	0.3
525.12756	0.3
525.21881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96832	0.3
59.01245	1.9
70.28406	0.3
71.01224	1.1
72.99154	1.3
75.00731	18.3
76.81922	0.4
79.83041	0.3
89.02301	4.4
96.95879	0.9
101.04311	0.3
104.17671	0.3
108.23056	0.4
117.01804	1.7
133.02829	1.2
134.03618	1.0
135.02870	100.0
135.04350	8.3
135.06961	1.3
136.03185	0.6
138.23215	0.4
153.29085	0.4
161.02324	5.1
179.03421	6.6
283.82211	0.4
297.06165	24.1
311.07751	4.2
336.04187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0887
Annotation	Hypnogenol B1
Peak:m/z	Relative Intensity
57.03305	5.8
59.01243	99.6
71.01237	5.8
71.95112	4.7
73.02808	9.0
74.73051	4.1
75.00748	7.8
79.57131	4.8
91.72704	9.3
96.95886	12.3
101.02322	9.8
107.01295	9.3
108.03445	5.2
109.02834	6.5
113.02291	6.6
114.48285	6.0
125.02328	19.0
135.04404	33.9
145.02831	4.9
151.00284	20.4
159.04448	12.8
165.01836	24.0
171.04408	13.4
173.02422	14.3
175.03987	13.0
197.02271	7.7
199.03957	18.9
213.05540	22.2
215.03473	20.7
229.30930	6.1
237.05467	5.8
239.03482	11.2
243.02937	48.2
245.04514	9.3
269.00912	16.8
281.04495	12.3
283.02515	6.5
307.02634	13.0
323.05798	12.2
325.03448	30.2
365.06686	16.1
404.36371	5.8
405.06271	19.8
409.05673	64.6
471.43643	6.5
481.71277	7.1
484.87650	6.3
571.08844	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.7
63.02258	1.0
65.00178	5.2
68.99638	0.9
75.00720	1.2
75.12910	0.7
77.24960	0.7
83.01223	3.8
86.04354	0.9
90.85640	0.8
96.52929	1.5
96.53458	1.1
107.01241	8.8
124.01470	1.0
125.02296	4.4
128.03377	1.0
131.04897	1.2
133.02814	2.1
135.04388	19.3
143.04904	1.2
145.02792	1.3
147.04430	2.0
147.16035	0.9
151.00246	17.0
159.04430	9.2
161.02330	3.5
165.01875	3.8
167.03302	0.9
171.04414	3.2
173.02373	3.2
173.06020	1.2
174.02945	0.8
175.03917	2.2
177.01732	1.2
177.05406	1.2
181.06511	1.2
183.04414	1.5
184.70979	0.8
185.05991	1.7
187.03922	1.1
189.05525	2.1
196.05272	0.8
199.03911	2.8
200.02448	0.8
201.01854	1.2
201.05544	3.3
203.03465	3.4
209.06024	2.0
211.03926	2.0
212.04701	1.5
213.05522	6.9
215.03453	10.1
224.04900	0.9
225.05481	1.9
227.03462	1.3
231.06503	1.1
237.05550	2.3
239.03511	1.9
241.05025	1.4
243.02892	4.1
245.04494	8.1
249.05444	0.8
251.07193	2.0
253.05087	3.1
255.02939	2.3
255.06578	1.0
256.03787	1.1
267.06598	1.0
269.01364	1.1
269.04559	5.4
270.05234	1.1
277.05093	1.2
279.06656	1.7
281.04599	2.6
283.02490	1.4
284.03226	4.6
293.04562	1.5
293.07846	1.4
295.06357	1.7
297.04028	21.2
298.04587	4.4
299.05688	1.0
305.04593	1.8
307.02463	1.4
321.04089	1.7
321.07739	2.0
322.04758	2.0
323.05606	26.0
325.03540	52.4
326.03949	2.1
337.07227	1.3
339.05029	1.4
341.06656	29.8
347.05615	1.7
349.03540	3.2
365.06659	85.9
366.06949	3.3
367.04587	16.6
391.04599	6.9
405.06143	1.3
409.05655	100.0
410.06094	2.6
417.06076	1.1
419.08133	1.7
422.02060	0.9
435.03537	2.7
461.05219	3.0
527.10480	1.4
571.08807	72.0
572.09052	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27366	0.5
57.03305	0.7
59.01226	2.4
59.20778	0.5
60.48745	0.5
63.30720	0.5
65.00169	2.5
67.71402	0.5
77.95739	1.0
77.96174	1.1
79.94623	0.5
83.01218	1.9
83.29548	0.5
93.03303	1.4
107.01244	3.2
109.02798	0.8
117.03331	0.6
121.02760	1.5
121.57919	0.6
123.04387	2.9
124.18357	0.7
125.02311	4.2
126.57587	0.5
133.02798	2.4
135.04391	11.4
139.03888	1.5
141.07001	0.8
143.04961	0.8
145.02754	0.9
147.04327	0.9
149.02367	3.3
149.03352	0.8
151.00247	7.5
151.03856	1.3
159.04393	5.6
161.02304	1.3
162.02983	0.6
165.01784	1.4
167.04936	1.2
169.06541	3.3
171.04433	3.9
173.02316	2.1
173.05965	2.8
175.03949	4.0
177.01846	2.1
177.05536	0.7
181.06503	0.9
183.04378	1.0
184.05290	1.0
185.05983	1.5
187.03786	0.7
189.05482	0.8
195.04420	1.8
196.05208	0.7
197.04286	1.0
197.05998	9.1
199.03957	5.3
201.01883	1.2
201.05563	2.0
203.03461	2.1
211.03943	2.0
212.04610	0.8
213.05505	5.5
215.03430	6.4
223.03960	3.2
224.04573	0.7
225.05492	2.0
227.03531	1.3
237.05536	0.9
239.03732	0.9
240.04268	2.5
241.05029	79.6
242.05412	2.6
243.02840	0.8
245.04550	3.5
249.05476	0.9
253.05025	0.9
255.03014	1.8
256.03760	2.5
265.05069	1.6
266.02289	0.8
267.03012	17.4
268.03531	1.1
269.04510	5.3
277.05103	1.0
279.06519	1.0
281.04428	1.2
284.03293	3.3
285.04059	2.6
293.00912	0.8
293.04611	0.8
293.08142	0.9
295.02420	2.3
295.05740	0.8
297.04050	12.1
298.04675	1.6
305.04721	1.4
321.04037	0.7
321.07767	1.0
322.04816	1.7
323.01993	1.2
323.05615	16.4
325.03537	25.7
332.06668	1.1
341.06662	13.8
342.07114	0.8
347.09442	0.9
349.03503	1.3
357.07794	1.7
365.06659	40.7
366.06970	0.8
367.04587	7.2
373.07272	0.7
391.04153	3.5
391.08823	1.1
393.06021	2.2
401.06625	4.8
409.05670	48.6
410.06168	2.3
417.06207	4.9
419.07748	100.0
420.08118	4.2
435.03497	1.4
445.05655	33.1
446.05960	1.6
461.05020	1.7
527.09912	1.4
571.08801	61.4
572.09027	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.6
59.01244	5.5
63.02249	1.2
65.00187	4.9
72.79528	0.7
73.02813	0.8
83.01238	2.7
83.93954	0.8
95.01250	1.2
96.52884	1.1
99.56806	0.8
107.01247	8.2
109.02763	0.8
112.73132	1.2
112.73833	1.3
113.55668	0.8
116.97122	1.0
119.99271	0.9
125.02305	2.4
125.56615	0.8
127.50185	0.8
129.04994	1.0
130.39014	0.7
131.74275	0.8
133.02805	0.9
135.04398	15.2
137.24629	0.8
143.04866	1.3
145.02826	1.3
151.00264	15.7
159.04393	7.9
161.02339	3.1
165.01855	2.2
167.04991	0.9
171.04448	3.9
173.02344	2.3
175.03925	1.2
177.01878	1.2
177.05470	2.7
183.04420	1.2
185.05954	1.2
187.03951	1.4
189.05489	2.5
197.06128	0.8
201.05519	3.7
203.03442	2.6
208.05357	0.7
209.06050	1.3
211.04005	1.5
213.05540	6.8
215.03436	9.6
220.49539	0.9
225.05577	1.6
227.03383	1.2
227.07285	0.8
235.04190	0.9
237.05547	1.8
239.03534	2.6
241.05006	1.9
243.03006	1.5
245.04567	7.7
249.05499	1.0
250.06401	1.2
253.05252	1.9
255.03015	1.3
255.06644	1.1
256.03659	1.1
257.04449	1.9
269.04523	5.0
270.05188	1.2
277.05115	1.5
278.05585	0.9
279.02823	1.1
279.06564	1.6
281.04532	1.9
284.03326	3.9
293.04568	2.1
295.06091	2.0
297.04041	24.2
297.07367	1.7
298.04773	3.9
305.04614	1.7
307.02414	1.3
321.07770	1.3
322.04810	2.6
323.05609	28.0
323.09451	1.4
325.03552	53.7
337.07138	1.9
339.05142	1.3
341.06674	32.6
347.05676	1.4
349.03516	2.5
363.05103	1.3
365.06689	87.4
366.07083	2.9
367.04623	14.6
391.04623	6.4
392.88950	0.9
405.06250	1.9
409.05676	100.0
410.05817	3.8
435.03467	3.2
461.05161	2.6
527.09802	2.1
571.08838	97.2
572.09375	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.9
58.04975	1.8
59.01245	17.8
61.57728	1.7
61.98722	2.4
62.69402	1.8
65.27007	2.0
68.33459	2.1
71.01255	3.4
73.02798	4.3
75.00740	6.9
76.64257	2.3
77.66608	2.1
85.02811	4.4
91.73326	2.2
96.95897	2.8
101.02320	6.6
109.02818	10.0
109.93479	2.6
125.02336	7.3
128.03482	2.4
133.02821	36.0
135.04405	5.5
151.00252	4.2
151.03844	3.2
156.56001	2.2
175.03957	9.5
177.01857	9.1
195.04442	4.3
197.06017	12.7
199.03938	7.7
221.15465	22.6
223.03955	5.1
239.07043	3.3
241.05075	47.1
243.03041	2.7
265.05008	13.4
267.03021	32.7
268.03564	2.8
283.06104	16.9
284.03098	5.9
285.04224	6.2
291.03064	6.2
309.04056	19.0
323.05682	2.6
325.03726	6.5
335.01990	4.0
365.06628	8.4
365.19785	12.0
383.20737	18.6
393.05914	11.5
409.05695	8.1
419.02011	3.7
419.07755	77.2
425.22006	6.9
445.05643	100.0
446.06339	5.0
499.33075	3.2
527.24939	36.6
528.95770	3.0
571.08783	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2893
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
57.37493	0.9
59.01234	1.2
60.93690	1.3
74.29646	1.2
78.95759	54.1
80.57565	1.0
82.26905	1.2
96.96827	13.8
113.93945	1.1
121.58652	1.0
141.55872	1.3
152.99474	57.5
223.00220	2.3
234.58473	1.1
241.01163	27.5
255.23299	75.4
308.07999	1.2
315.04907	9.7
343.42633	1.3
391.22485	4.1
418.65082	1.4
493.48376	1.3
539.84937	1.5
571.28931	100.0
572.29407	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67719	0.9
53.68749	1.0
59.00974	1.8
59.01242	23.9
59.98197	0.8
71.01240	3.3
73.02798	1.4
78.95739	1.1
89.02287	4.0
94.40607	1.0
101.02306	5.5
105.41299	1.0
105.62837	1.1
111.52943	1.3
113.02285	2.4
144.00101	1.2
161.04454	1.3
201.97736	1.3
211.20050	1.2
217.99759	1.2
231.21201	2.6
235.08202	1.4
253.09267	19.9
275.20190	100.0
276.20422	2.5
591.60168	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1043
Annotation	Hypnogenol A
Peak:m/z	Relative Intensity
57.03328	6.5
59.01243	9.2
61.68158	4.1
65.00205	19.0
68.84721	4.4
73.24793	4.4
83.01257	12.1
107.01237	32.6
109.02852	13.4
114.91936	4.1
125.02312	49.6
147.04453	8.0
151.00255	100.0
159.04417	5.2
161.02394	7.5
168.68997	4.9
168.96342	5.5
173.06120	6.8
190.02730	8.8
198.03191	14.2
213.05638	10.5
227.03444	8.1
237.05536	5.2
255.06567	31.4
267.06866	9.3
269.04807	5.6
277.05118	18.5
293.04593	11.6
295.06299	7.3
299.05545	13.7
303.77985	5.8
321.04138	25.0
325.03546	51.6
337.03598	9.7
341.02859	6.5
377.10315	14.5
416.60074	6.6
421.09436	7.1
433.05844	8.1
447.07193	42.1
451.06403	5.8
529.11694	9.2
547.02905	7.7
573.10168	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79218	2.3
59.01234	7.9
61.11024	2.5
65.00187	4.6
71.01276	2.8
101.02281	2.7
104.19894	2.6
107.01276	6.0
107.34139	2.6
108.89661	2.7
115.05757	2.7
117.03276	3.7
118.88181	2.7
125.02303	19.9
133.02855	6.8
135.04407	25.2
135.16045	2.9
147.04401	3.0
148.50720	2.6
151.00262	23.3
151.74525	2.8
159.04442	11.4
161.02321	3.1
168.27292	2.9
172.05222	2.9
172.77472	3.6
173.02379	3.4
173.05978	34.4
175.03937	43.0
191.07111	33.0
195.78195	3.0
199.03911	14.8
200.04697	3.2
201.01888	3.2
201.05486	6.8
206.00700	3.7
215.07040	68.9
215.08861	5.3
216.09038	6.1
217.05049	29.1
239.07251	3.3
241.04973	16.8
242.05502	3.9
243.07730	3.5
245.04628	8.3
259.06113	100.0
265.05060	3.2
267.02969	4.9
271.57013	3.2
285.04013	14.5
286.88715	4.3
309.04123	3.5
323.05362	4.0
325.03561	5.4
327.04971	8.1
367.08145	10.5
410.05908	3.9
411.07120	50.9
419.07681	8.8
420.07990	10.1
421.09174	82.3
447.07297	58.1
573.10260	81.4
573.24207	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41888	0.9
59.01227	3.1
63.65423	0.9
65.00172	3.5
71.01225	1.0
83.01218	3.7
91.05371	1.6
93.19872	0.9
96.95942	0.9
98.76623	1.0
100.67262	1.1
107.01260	5.8
109.02817	1.1
110.21037	1.0
125.02306	16.5
131.04919	1.7
133.02817	1.0
134.03635	1.1
135.04391	26.8
143.04884	1.2
145.06487	2.3
147.04440	1.9
149.05919	1.7
151.00259	21.9
155.04918	1.7
156.05652	2.7
159.04420	12.6
161.02336	4.4
167.03401	1.2
169.06444	1.0
170.37105	0.9
171.04419	2.3
172.05159	1.9
173.02397	2.7
173.05981	44.7
174.06294	1.1
175.03912	51.5
177.01878	2.0
177.05516	2.7
187.07626	3.3
189.05402	1.8
191.05286	1.8
191.07054	36.4
197.05980	3.4
198.03242	1.5
199.03947	14.6
200.04738	3.0
201.01869	10.4
201.05510	5.9
203.03465	4.4
213.05447	1.6
215.07079	64.0
215.15433	1.2
216.07401	1.9
217.05022	33.7
239.07025	2.3
241.05069	16.8
243.02948	3.9
245.04550	9.0
259.06125	100.0
259.71048	1.1
260.06610	2.2
265.05139	2.7
267.02972	2.2
281.08163	3.1
283.06161	2.1
285.04031	12.7
311.02393	1.5
323.09155	1.3
327.05112	9.0
343.07980	1.1
351.05109	1.5
362.53897	1.2
367.08188	4.2
369.06073	1.3
393.06216	1.3
395.07809	1.7
411.01755	2.4
411.07245	41.3
412.07532	1.3
421.09305	72.7
422.09677	2.1
447.07263	54.2
448.07404	1.5
573.10425	61.0
574.10522	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04693	0.8
53.54426	0.8
57.03294	1.2
58.05226	1.0
59.01236	2.5
65.00197	4.8
74.14207	0.9
81.93218	1.0
83.01228	3.1
107.01247	6.1
109.02811	1.6
110.84955	1.0
114.04340	1.0
119.47941	1.0
123.04398	1.2
125.02310	17.3
130.04071	1.3
131.04889	1.2
133.02840	3.1
135.04396	28.5
136.97020	1.0
143.04909	1.3
145.06476	3.5
147.04401	2.4
148.05093	1.5
149.05988	2.0
150.99112	2.1
151.00258	26.7
155.04855	2.0
156.05678	2.4
158.03690	1.7
159.04416	14.7
159.23604	1.0
161.02328	5.3
165.01810	1.3
167.03415	2.5
169.06506	1.2
171.04381	2.3
171.08022	2.5
172.05258	2.4
173.02438	2.2
173.05984	49.5
175.03912	53.4
177.01917	1.2
177.05519	3.0
187.07570	4.1
189.05551	1.3
191.07057	40.5
197.05997	2.8
198.03185	1.4
199.03944	13.5
200.04688	3.9
201.01837	8.7
201.05528	5.6
203.03444	3.1
211.04137	1.3
213.05559	2.6
215.07085	71.2
217.05008	33.0
217.07089	1.3
223.04016	2.0
239.07082	2.5
241.05026	18.2
242.05417	2.0
243.03046	5.8
245.04575	10.0
257.08154	1.3
259.06131	100.0
263.07199	3.2
265.05173	2.6
267.03006	3.7
281.08197	2.6
283.06085	3.3
285.04083	14.0
305.08319	1.5
307.06134	1.0
309.04187	2.5
311.05420	2.6
323.09479	1.1
325.07263	1.7
327.05063	9.0
349.07068	2.5
367.08212	5.0
369.06216	1.6
370.38809	1.0
395.07721	2.2
403.08334	1.7
411.01715	2.1
411.07236	44.2
412.07578	1.1
420.08099	1.7
421.09311	83.1
422.09436	2.2
437.05176	1.5
446.06418	1.8
447.07220	63.2
448.07767	1.7
531.17310	1.2
573.10431	68.2
574.10638	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07549	0.4
57.83562	0.4
59.01244	3.7
61.57085	0.5
71.01231	2.4
73.02798	0.9
83.94083	0.4
89.02297	1.5
90.72755	0.8
96.95861	0.6
97.18185	0.4
101.02316	1.5
104.00172	0.5
113.02323	1.2
119.04892	100.0
119.08393	1.1
120.01078	0.5
120.05225	1.4
128.03401	2.8
130.08620	1.0
135.04420	0.6
140.07060	1.0
161.02432	0.5
161.04420	0.7
163.03909	76.3
163.09531	1.1
164.04187	1.2
187.56218	0.5
198.14967	0.6
202.04927	0.5
245.06706	1.2
344.97943	0.5
365.10901	2.3
529.15656	11.7
573.23962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	9.5
59.13842	2.3
70.04153	2.2
71.01235	3.4
88.48161	2.3
90.51458	2.3
95.49419	2.2
96.95884	4.5
98.02331	4.1
101.02308	2.7
119.04889	100.0
125.31692	2.4
128.03401	6.9
163.03902	71.1
171.07869	2.7
300.71652	2.6
316.20239	2.7
472.39261	2.9
529.15753	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66885	0.9
52.77460	1.0
57.03312	1.3
57.26079	1.1
59.00000	1.9
59.01241	100.0
59.02349	1.6
59.69349	1.1
62.39670	1.0
62.88170	1.2
63.71011	1.0
63.91219	1.0
65.00182	2.1
68.32558	1.1
71.01241	12.8
73.02807	4.0
80.78945	1.1
83.01239	4.3
85.02804	5.0
89.02306	4.7
96.95882	2.4
99.00779	1.4
101.02298	7.2
107.01290	2.7
113.02306	5.3
123.04436	1.7
125.02309	3.0
125.90481	1.3
135.04417	2.8
151.00273	3.5
161.04378	2.0
167.03383	5.0
217.05052	1.7
233.90857	1.3
253.96376	1.5
269.00879	1.7
271.01440	1.5
321.04135	1.6
325.03351	2.8
405.06064	2.1
411.06335	4.9
433.05981	1.5
433.22375	5.6
447.07306	3.5
451.23450	14.7
493.24347	11.6
573.09851	8.8
573.42749	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52945	0.3
57.03317	7.9
58.99957	1.5
59.01243	100.0
59.02359	1.7
60.01580	0.4
69.03316	1.0
69.52610	0.3
71.01241	17.9
72.99165	1.0
73.01086	0.5
73.02806	26.7
73.04375	0.4
74.06046	0.3
75.00743	0.6
79.05392	2.8
83.01239	7.5
83.01698	0.6
83.04878	3.5
85.02802	4.9
85.03236	0.4
87.00742	2.6
89.02295	6.1
93.03342	0.3
93.06950	0.5
95.01247	0.8
97.02819	0.6
99.00747	1.3
100.99491	0.3
101.02305	24.7
109.02806	2.3
109.06489	0.4
111.04403	1.1
113.02308	8.3
116.04090	0.3
119.03362	2.4
121.06461	2.0
123.04441	0.5
123.08044	1.0
125.02334	1.4
125.05969	1.1
127.70823	0.3
128.03481	0.5
129.03824	0.3
131.03412	2.7
135.04433	0.5
135.08070	1.4
137.09644	1.5
138.06770	0.4
143.03413	2.3
149.04463	2.1
149.09595	2.6
152.08327	1.0
153.09099	2.5
155.03435	1.1
161.04443	5.7
161.05630	0.5
161.09627	0.6
163.11223	0.7
165.09079	1.6
167.03453	1.1
179.05571	0.5
179.10681	0.5
187.11212	0.5
203.05659	0.7
213.12869	1.3
215.10791	0.4
219.14064	0.5
221.06720	0.4
225.11343	0.5
231.13860	9.6
271.17056	8.0
289.18134	7.1
405.06421	0.5
433.22354	2.2
451.23383	4.9
468.98059	0.4
493.24478	9.1
494.25769	0.4
582.85468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	8.2
59.01243	100.0
59.17810	1.1
60.56655	1.2
65.00179	3.1
69.88871	1.3
71.01238	16.4
73.02805	29.7
75.00732	2.4
79.05390	2.1
81.03293	1.6
83.01234	10.3
83.04890	4.4
85.02805	4.0
87.00719	2.9
89.02286	5.3
89.08693	1.8
89.11282	1.5
96.95821	1.7
101.02306	26.2
102.49419	1.6
107.01254	3.7
109.02817	4.2
113.02305	10.1
119.03418	1.7
121.06455	3.4
125.02290	10.3
131.32193	1.4
135.04378	16.3
137.09595	1.7
143.03340	1.9
145.06453	2.5
147.00095	1.5
147.04402	2.2
149.04486	2.0
149.09607	2.3
151.00253	12.8
153.09103	3.2
156.05699	2.0
159.04445	8.9
161.02374	2.3
161.04419	7.5
165.09062	2.2
167.03368	2.3
171.04424	1.6
173.05978	30.1
175.03903	26.9
191.07071	21.1
197.06027	4.1
199.03963	7.2
200.04691	2.2
201.01936	6.2
201.05531	2.9
203.03468	3.2
215.07053	40.2
217.05009	20.1
224.78696	1.8
231.13899	10.5
241.05048	9.3
243.03024	3.2
245.04604	5.9
259.06122	52.6
265.05246	2.0
267.03201	2.1
271.17044	9.7
283.06348	2.8
285.04062	6.6
288.85687	1.6
289.18103	7.3
304.15756	2.1
316.83316	1.9
326.03683	2.4
327.05237	3.3
367.08145	3.7
377.73505	1.8
395.07941	2.1
410.06055	1.9
411.07205	22.5
421.09308	39.8
433.22495	1.9
447.07275	31.1
448.07507	2.2
449.89908	1.9
451.23291	4.0
493.24661	10.2
573.10321	39.3
573.25494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	8.1
57.25864	5.0
59.00968	8.0
59.01241	100.0
71.01236	18.1
73.02815	26.8
79.06808	4.0
83.01264	10.1
85.02787	6.5
91.72768	10.3
101.02321	25.7
113.02298	7.0
113.49284	5.1
161.04494	7.1
191.07152	5.8
212.39536	5.7
215.07069	5.7
231.13895	7.0
241.04799	5.7
256.41956	6.0
259.06134	11.7
271.17090	6.3
289.18030	9.1
493.24704	10.4
573.10553	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50685	1.6
59.01244	18.7
61.80610	2.0
71.01246	4.1
72.38416	1.8
77.96285	1.6
83.56836	2.2
95.51545	1.8
108.75542	2.2
116.22501	1.8
135.49269	2.3
149.65891	2.4
156.99818	2.1
166.07700	2.8
226.26292	2.2
253.09320	16.8
277.21741	100.0
430.69321	2.5
604.09216	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14383	0.9
56.48952	0.9
56.84233	0.9
59.01236	2.8
60.73713	1.0
68.25861	1.0
70.14873	1.0
84.94968	1.6
86.98544	1.4
87.00731	100.0
88.00262	4.1
88.03907	1.9
137.91475	1.2
217.03299	1.4
259.77682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01725	0.4
59.00030	0.3
59.01239	18.4
66.18487	0.4
71.01244	2.2
73.02803	1.0
79.41937	0.3
84.14249	0.3
85.02805	0.8
88.20142	0.3
89.02287	3.0
101.02287	3.9
104.12920	0.3
113.02303	1.8
119.03372	1.0
125.02392	0.3
143.03406	0.6
153.60750	0.3
157.04953	0.5
161.04445	1.3
172.66226	0.4
179.05417	0.4
203.41266	0.6
233.22783	0.7
235.08202	1.1
236.85016	0.4
253.09285	15.7
259.20612	0.8
277.21729	100.0
278.22043	2.7
569.86340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34910	2.3
52.02588	2.7
59.01247	15.7
59.01486	3.3
71.01251	3.1
101.02370	3.6
152.15663	3.4
197.67967	3.5
232.20087	3.1
253.09274	14.3
277.21747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25803	2.2
55.84989	2.6
59.01242	27.1
64.75636	2.4
67.35291	2.4
71.50095	2.7
75.91297	2.5
78.95757	11.0
83.90003	2.7
91.73402	3.6
152.99409	3.0
168.04271	4.0
177.91356	3.4
196.65987	3.0
231.21216	5.2
242.08070	3.4
275.20184	100.0
276.20566	3.7
392.93463	4.3
500.27853	45.7
501.28015	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37541	73.4
65.79002	78.7
68.86986	75.2
69.05390	65.4
78.95763	96.0
104.27747	83.5
112.19237	71.4
136.94781	94.0
154.93629	94.4
206.91985	82.0
207.95909	86.4
208.47871	89.6
243.11134	89.9
279.23337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	22.9
68.93050	16.9
78.68587	20.2
78.69141	21.5
82.65797	18.3
91.29056	19.5
94.87038	18.0
97.36201	18.2
104.00871	17.6
129.45644	21.7
251.36278	22.9
279.23419	100.0
303.23245	43.5
535.96368	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.7
60.99176	3.9
65.37560	0.8
71.01241	0.6
71.09624	0.7
80.96384	0.9
87.00742	4.3
88.00269	5.1
88.03912	2.3
88.98662	26.4
89.00162	1.6
89.02300	100.0
89.04210	1.6
89.04720	1.7
123.72803	0.8
128.03357	1.1
137.37373	0.7
148.90915	1.8
149.04539	1.0
208.47552	0.8
255.77089	0.7
261.78278	0.7
403.62433	0.9
466.54355	1.0
470.94510	0.8
575.25305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78997	0.3
59.01240	10.6
66.41920	0.4
71.01247	1.9
73.02787	0.5
75.73450	0.3
83.01273	0.4
85.02802	0.6
87.10577	0.4
89.02293	2.0
91.72675	0.4
94.55036	0.3
101.02296	3.1
113.02333	0.8
119.03369	0.9
146.37476	0.4
161.04471	0.8
235.08162	1.2
253.09273	10.9
253.56166	0.3
279.23297	100.0
280.23611	1.7
295.20572	0.4
530.28394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	23.6
67.58342	6.5
69.00438	6.5
78.95787	21.0
83.82577	6.7
96.85889	7.7
99.19347	7.2
168.04234	11.5
232.99805	7.8
242.08046	14.1
272.31696	9.0
277.21768	82.4
301.21786	100.0
502.29865	22.0
526.29437	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79732	0.2
59.01239	1.5
61.01687	0.2
61.97426	1.8
61.98694	100.0
62.00165	0.7
63.78957	0.2
64.67043	0.2
77.25009	0.2
89.02328	0.3
151.76041	0.2
253.09422	0.6
254.09888	0.2
255.09839	0.4
277.21710	2.7
278.22083	3.9
279.22308	2.7
280.22794	0.4
317.68402	0.2
555.69440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05537	0.3
54.47267	0.3
56.46735	0.3
57.60910	0.6
59.01242	1.5
61.97291	1.5
61.98692	100.0
61.99901	1.7
91.73390	0.3
136.44426	0.3
196.67946	0.5
255.09750	0.5
277.21707	2.8
278.22150	4.0
279.22342	2.5
280.22726	0.6
286.33722	0.4
373.32504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11809	0.2
54.41571	0.2
59.01241	22.2
59.02450	0.4
60.38358	0.2
61.40393	0.2
65.25069	0.3
71.01266	0.4
75.22945	0.3
78.95763	6.4
78.96206	0.5
83.04874	0.5
91.25715	0.6
91.26200	0.4
92.96121	0.2
97.06451	0.3
115.38074	0.3
141.84116	0.3
152.99466	2.0
168.04182	2.2
175.41708	0.3
203.41190	0.4
224.06905	1.1
233.22728	0.9
242.07948	4.0
259.20740	1.3
275.19986	0.4
277.21732	100.0
277.34155	0.8
278.22079	2.5
502.29431	31.2
503.29501	1.4
577.26996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33329	0.8
59.01239	23.3
61.98688	3.8
67.51997	0.9
78.95760	23.9
80.96365	3.0
87.25439	1.1
91.25719	1.3
141.05360	1.1
149.52718	1.0
152.99475	4.1
168.04214	3.8
187.45692	1.2
222.75369	1.1
224.06880	9.5
242.07980	3.5
249.01237	1.2
275.19965	1.5
277.21738	100.0
278.22144	2.5
346.31403	1.3
363.81708	1.1
387.17975	1.2
502.29419	76.3
503.29922	1.3
577.26862	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58488	0.3
54.52418	0.3
58.99917	0.3
59.00194	0.3
59.01244	17.6
59.02396	0.3
62.87764	0.3
73.25411	0.4
78.95765	7.3
78.96206	0.7
91.25719	0.7
91.26206	0.5
92.16968	0.4
103.94452	0.4
120.32951	0.3
120.85210	0.3
140.24619	0.3
152.99489	1.5
168.04198	1.8
175.41725	0.5
203.41115	0.6
224.06857	1.2
233.22725	0.4
242.07948	3.7
248.23514	0.4
257.22800	0.7
259.20566	0.4
275.20300	0.6
277.21747	100.0
277.33624	1.0
278.22070	2.4
301.21759	6.0
502.29471	32.7
503.29736	1.5
526.29382	3.8
554.41217	0.4
597.77679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83695	0.4
57.42892	0.5
61.98695	22.0
64.11550	0.4
72.68474	0.4
72.79204	0.5
78.95760	5.9
86.62071	0.5
98.16593	0.5
115.17290	0.5
140.01054	2.2
142.72531	0.5
152.99539	1.3
174.65886	0.5
196.03703	1.3
203.29211	0.5
214.04791	3.3
218.90324	0.6
263.91748	0.5
277.21823	1.4
278.22147	0.9
347.25955	10.5
348.26318	0.6
370.28735	0.6
379.28568	100.0
380.28818	3.8
386.06070	0.6
576.33112	11.5
577.33398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.7
58.26385	2.3
59.01242	100.0
61.49916	2.2
71.01240	22.9
73.02797	13.3
80.64112	2.6
83.01237	5.7
85.02804	12.9
87.00772	2.7
89.02297	14.2
98.83153	2.5
99.00733	4.1
101.02314	22.2
113.02316	10.9
115.21191	2.3
119.03310	3.3
125.44487	2.3
128.03413	12.2
147.08153	2.8
161.04489	5.0
171.07646	5.0
249.05544	8.7
305.52698	3.1
404.45462	2.8
420.32147	2.8
542.68640	3.1
577.26465	32.4
596.76532	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70978	0.3
51.73365	0.4
55.22499	0.3
58.00536	0.4
59.01244	3.4
61.25452	0.3
63.96097	1.0
67.47108	0.3
69.03301	0.7
70.76402	0.3
71.01232	7.0
73.02804	2.0
78.95764	2.7
78.98445	5.5
79.95587	8.8
80.94480	1.3
80.96371	68.0
81.03299	0.8
83.97791	0.4
85.02322	0.6
85.02780	3.0
87.00725	2.0
94.97939	15.7
95.01218	0.5
96.95854	0.9
97.02802	1.4
99.00739	0.7
101.02309	2.8
105.38683	0.5
106.97951	3.3
111.56618	0.4
113.02359	0.4
117.06612	0.4
122.97441	6.4
125.02317	3.1
127.03896	1.1
134.97447	5.0
136.99002	1.4
141.32352	0.5
146.97469	0.4
148.99030	5.5
152.98495	8.0
154.72704	0.4
164.98528	11.4
166.94389	0.3
168.04268	0.8
168.85272	0.4
182.99551	2.3
206.93459	1.7
206.99643	3.3
224.06937	1.0
225.00696	16.7
243.01799	1.6
268.84421	0.4
277.21692	8.9
278.22061	6.0
299.04474	2.3
300.72577	0.4
301.21817	1.0
302.22067	0.9
330.95612	0.5
502.29581	1.6
503.29758	5.0
526.29547	0.6
527.29224	2.2
555.17694	0.5
577.26917	100.0
578.27252	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	3.8
60.56549	3.5
61.98676	4.1
71.01237	6.6
78.98439	3.9
79.95601	9.8
80.96364	59.0
81.38016	3.4
81.57900	3.4
84.03494	3.8
94.97926	13.2
102.49251	4.0
122.97427	7.2
148.99081	8.3
164.98572	10.7
166.86386	4.3
225.00699	16.6
277.05951	4.1
345.41165	5.0
577.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73380	0.3
57.03297	0.2
59.01242	0.9
60.48562	0.2
63.96093	0.9
68.79523	0.2
69.03316	0.7
71.01241	6.8
73.02807	2.1
78.98448	5.9
79.89927	0.2
79.95116	0.2
79.95592	9.7
80.94494	1.1
80.96374	66.8
80.98528	0.6
81.03304	0.8
85.02809	2.7
87.00739	2.7
93.93886	0.3
94.95538	0.3
94.97944	15.9
96.95878	1.0
97.02805	1.9
99.00751	0.7
101.02310	3.0
106.97952	3.3
113.02332	0.4
119.56985	0.2
122.97444	5.9
125.02320	3.5
127.03866	0.8
134.97461	5.0
136.99030	1.4
146.97424	0.3
148.99019	6.8
152.98520	8.1
164.98535	12.2
167.00038	0.4
179.13884	0.2
182.99608	2.9
188.98550	0.5
206.93500	0.9
206.99620	3.3
225.00708	17.9
243.01788	1.7
277.21768	2.8
299.04437	2.3
370.45514	0.3
419.24277	0.3
577.26929	100.0
578.27203	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22747	63.3
56.06069	71.5
70.30608	76.6
77.74336	73.2
85.37865	70.7
95.27168	84.5
165.98828	79.9
185.04912	89.1
257.47336	87.0
351.40805	85.1
489.74326	97.3
542.73572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19375	44.4
55.39967	54.3
60.43435	57.9
61.98698	75.0
66.14189	57.4
93.07597	48.3
126.66083	65.5
131.31624	60.0
148.41447	73.6
168.05183	61.5
172.53438	69.6
232.46545	69.9
254.58377	82.9
261.38525	76.7
367.20432	72.6
448.28845	86.6
511.89081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	13.3
71.01250	2.5
73.02761	0.6
77.53616	0.4
83.01205	0.5
83.17329	0.4
85.02776	0.5
85.22747	0.4
89.02290	1.7
98.47861	0.4
101.02292	2.7
113.02324	1.2
119.03410	0.8
140.71242	0.4
161.04407	0.9
198.35237	0.5
235.08180	1.3
253.09291	11.9
281.24869	100.0
282.25204	1.6
317.81729	0.5
530.85132	0.5
549.39838	0.4
588.84271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	10.2
71.01230	2.3
73.02782	0.6
84.24536	0.6
85.02787	0.8
89.02277	1.9
101.02300	2.9
113.02358	1.1
119.03374	1.1
152.82701	0.9
161.04427	1.4
235.08202	1.8
253.09291	10.6
281.24869	100.0
282.25058	1.5
419.58600	0.9
541.58472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42588	0.5
59.01239	17.2
61.98682	1.1
67.25822	0.5
72.71407	1.4
72.71789	1.2
78.95761	12.0
96.97929	0.6
102.07854	0.6
107.34939	0.7
113.54501	0.7
147.65588	0.7
152.99414	2.2
168.04181	4.9
205.19542	1.5
222.41689	0.8
224.06906	2.4
242.07974	7.6
257.33795	0.7
259.24271	4.5
279.23300	93.4
280.23636	1.5
303.23300	100.0
304.23544	2.0
330.48834	0.8
409.97525	0.9
504.31006	29.5
528.30939	42.0
529.30927	1.2
568.71368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61964	0.3
57.60770	0.6
59.01244	0.9
60.01591	0.4
61.97461	1.8
61.98691	100.0
62.00096	1.3
63.46815	0.4
89.47913	0.5
91.72784	1.0
92.70649	0.4
111.31941	0.4
121.79932	0.5
143.63228	0.4
143.89774	0.5
162.53285	0.5
255.09911	0.7
279.23309	2.9
280.23627	4.0
281.24005	3.1
313.06281	0.4
453.46201	0.6
478.78159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77732	0.5
59.01241	19.0
61.98695	7.3
72.43008	0.6
77.97532	0.6
78.95760	28.6
79.87214	0.7
80.96377	1.7
91.79369	1.3
91.79871	0.9
93.61994	0.6
145.07654	0.6
152.99489	4.9
168.04274	4.7
184.20361	0.5
224.06880	11.6
242.07889	3.0
259.24393	1.6
279.23294	100.0
280.23691	2.1
303.23288	22.8
304.23819	0.7
360.11264	0.7
504.30984	59.8
505.31360	2.3
528.30927	28.8
529.30914	1.0
579.28516	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62359	0.2
57.99522	0.3
59.00050	0.3
59.01242	15.2
60.01813	0.2
68.12040	0.3
72.71481	0.3
73.45847	0.3
74.45676	0.2
76.39686	0.3
78.95759	6.6
83.04875	0.3
91.79369	0.6
91.79881	0.5
152.99490	1.6
168.04208	2.0
202.15804	0.4
215.96307	0.3
224.06924	1.3
237.29669	0.3
242.07961	2.9
259.24326	1.0
261.22299	0.4
279.23306	100.0
280.23749	1.4
303.23318	20.5
304.23761	0.7
457.28873	0.3
504.31024	27.9
505.31210	0.5
512.48309	0.4
528.23206	0.6
528.31030	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18069	1.7
59.01239	12.6
65.47938	1.7
71.01236	6.7
72.99164	15.1
73.02818	2.8
75.00730	58.7
75.97423	2.2
89.02308	8.6
93.03304	2.1
96.95901	3.8
99.00755	3.3
101.02298	3.6
105.03300	5.3
107.04882	6.7
109.02805	3.1
117.01801	3.3
117.17171	1.8
119.04883	5.1
121.02821	32.0
121.03636	3.6
123.04391	9.1
133.02841	14.3
134.03702	2.4
135.02872	100.0
135.04393	18.4
149.02336	3.5
149.05940	2.5
151.03888	26.7
161.02345	5.7
161.05983	3.5
163.03876	2.4
177.01846	69.7
179.03418	8.9
242.20280	2.4
255.10126	9.8
274.19131	2.1
276.73526	2.3
297.06393	2.6
325.07138	3.3
343.08191	3.1
461.11072	5.6
579.14154	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14829	0.4
59.01231	1.1
63.96096	0.9
69.03309	0.4
71.01236	6.3
73.02812	1.3
78.98445	4.7
79.25913	0.3
79.95588	8.7
79.96030	0.6
80.96374	65.9
80.98323	1.1
85.02814	2.7
87.00722	2.4
89.02325	0.5
94.97942	14.9
96.95860	1.0
97.02814	1.6
99.00763	1.0
99.04383	0.5
101.02282	2.9
102.50781	0.4
106.97953	3.5
109.49443	0.4
110.15598	0.4
113.02290	0.5
122.97458	5.9
125.02314	3.4
127.03911	0.8
130.15739	0.4
134.97461	4.1
136.99033	1.1
143.03363	0.5
148.99037	5.4
152.98526	7.6
152.99701	0.7
164.98534	11.1
167.00157	0.4
180.05165	0.4
182.99568	2.0
206.50412	1.5
206.99593	2.6
225.00697	15.9
243.01793	2.0
279.23285	3.8
280.23517	0.5
299.04398	2.7
305.24823	0.8
506.94830	0.4
579.28510	100.0
580.28937	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	1.7
61.93203	1.2
61.98689	1.8
71.01228	5.6
71.29829	1.1
78.98438	4.7
79.95594	9.1
80.96370	55.3
82.95261	2.4
87.00736	2.1
94.97942	12.0
101.02318	1.7
106.55548	1.4
106.97908	2.3
117.62366	1.6
122.97449	2.8
125.02287	4.2
134.97438	5.0
148.99030	6.3
152.98505	4.9
164.98557	11.3
193.48463	1.5
200.28900	1.9
206.99698	2.2
225.00732	13.3
279.23135	2.1
281.24951	2.6
291.57227	1.4
299.04498	2.6
350.05649	1.6
545.70428	1.7
579.28479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62589	0.3
57.79896	0.2
59.01236	1.0
63.96093	1.1
64.96881	0.3
70.33622	0.4
71.01238	6.3
72.99176	0.3
73.02810	2.0
78.98447	5.8
79.95593	9.2
80.96374	66.2
80.98407	1.0
81.03320	1.0
83.01220	0.6
85.02800	2.5
85.39360	0.3
87.00738	2.6
94.97945	16.3
95.01265	0.3
96.37598	0.3
96.95874	1.2
97.02829	1.9
99.00767	0.5
99.41027	0.3
101.02310	2.6
104.91866	0.4
106.97945	3.8
113.02314	0.5
115.77502	0.3
122.97451	6.1
125.02319	4.1
127.03867	0.8
134.97456	4.5
136.99031	1.1
148.99019	6.6
149.07460	0.3
149.47330	0.3
152.98518	6.7
155.00240	0.3
164.98543	10.7
167.00090	0.7
182.99597	2.4
188.98587	0.4
206.50444	1.3
206.99617	3.2
225.00717	17.0
225.10101	0.3
243.01842	1.8
259.44901	0.3
279.23352	3.2
299.04404	3.1
310.88458	0.3
332.17307	0.4
378.59531	0.3
383.64597	0.4
493.09821	0.3
502.02423	0.4
579.28503	100.0
580.28918	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50279	1.3
59.01237	4.9
61.97452	1.4
61.98695	100.0
62.00064	1.3
64.41436	1.3
69.32725	1.3
74.44167	1.3
78.95761	2.9
104.73681	1.3
152.99524	1.5
211.53769	1.4
214.69299	1.7
277.21729	10.4
278.22113	10.1
279.22318	10.0
280.22678	3.7
330.60858	1.7
331.92618	1.9
340.01663	1.7
346.74460	1.8
370.02277	1.6
373.11584	1.7
502.29074	1.8
504.30035	5.2
505.30496	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38391	0.3
51.41031	0.3
59.01248	1.3
61.97270	1.4
61.98693	100.0
61.99958	1.9
62.64759	0.3
80.96385	1.1
91.72747	0.4
92.19984	0.3
95.46043	0.3
96.95172	0.3
108.77975	0.3
220.77362	0.3
255.23647	0.4
281.24866	2.6
282.25214	3.8
283.25525	2.3
284.25812	1.3
299.69562	0.4
320.65430	0.4
581.30402	1.5
583.73187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29869	0.3
50.52892	0.3
53.46255	0.3
55.32430	0.3
59.01244	16.9
59.02460	0.3
60.81640	0.3
61.98680	0.5
78.10216	0.3
78.95759	16.7
78.97682	0.4
80.74662	0.3
80.96365	0.9
91.03376	0.3
91.45460	0.3
92.32946	0.9
92.33553	0.5
94.97835	0.3
96.95866	1.4
96.96834	0.4
101.02295	0.3
104.27233	0.3
134.98373	0.5
144.54404	0.3
152.99490	2.9
168.04208	2.4
178.64818	0.7
179.07071	0.3
201.76108	0.4
224.06895	8.3
242.07997	1.8
255.23178	0.6
258.73181	0.4
281.24869	100.0
282.25113	1.6
325.37778	0.3
476.35059	0.4
506.32538	61.2
507.32935	1.6
581.30035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01660	0.1
54.29295	0.1
55.32443	0.3
56.80377	0.1
59.01242	13.8
59.02395	0.3
61.98692	5.2
63.99114	0.5
64.38659	0.1
75.13255	0.1
78.95764	4.4
87.39123	0.1
91.72735	0.2
92.33012	0.2
110.21320	0.1
152.99493	1.3
161.91763	0.2
168.04204	1.6
183.09686	0.1
195.78853	0.1
224.06877	0.9
242.07996	2.5
260.39908	0.2
281.24866	100.0
282.25256	1.7
506.32538	28.8
507.32623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40239	0.4
56.14398	0.6
59.01244	5.1
59.40682	0.4
65.60434	0.5
71.01242	1.4
71.89941	0.9
72.99167	3.0
75.00731	22.9
77.25132	0.5
89.02292	4.0
90.30125	0.5
91.05382	0.8
93.03315	0.7
96.95878	1.1
101.02320	0.6
101.44151	0.5
117.01794	1.3
117.03330	0.6
119.04919	0.9
121.02792	0.5
121.06459	0.7
126.57836	0.6
131.04893	0.6
133.02844	4.9
133.06474	0.6
135.02872	36.4
135.04440	1.0
143.01320	0.6
143.04909	0.8
145.02809	3.3
147.04404	5.0
149.02365	1.3
159.04420	1.5
161.02332	2.4
161.06015	2.2
166.02831	0.5
167.04939	0.9
171.04437	1.4
172.05180	0.6
173.02347	13.5
174.03096	3.2
175.03906	5.7
177.01802	0.5
183.04436	0.6
185.02367	0.5
185.05962	0.6
187.03958	1.1
188.04706	1.2
189.05498	8.4
195.04477	1.4
197.02287	1.1
198.03226	1.4
199.00291	3.6
199.03961	5.1
201.01863	56.5
202.02243	0.6
211.03987	2.0
212.04597	0.7
215.03386	0.6
217.01433	0.7
217.05014	4.9
219.02927	10.6
223.03995	2.1
224.04504	0.5
225.01910	1.6
226.02704	0.9
226.99817	9.7
227.03381	0.9
235.04102	0.6
241.05106	1.4
243.02916	2.7
245.00992	1.6
263.46164	0.5
264.04276	0.6
267.03003	1.8
285.04019	9.7
292.03812	0.7
293.00766	0.6
299.07144	1.0
317.07956	0.5
327.06705	1.0
329.08240	0.7
337.05502	0.5
345.07715	1.1
355.06226	1.2
356.06906	0.7
373.07178	1.7
379.88971	0.7
389.06625	1.5
399.04654	0.6
401.06738	3.0
417.06235	1.1
419.07687	3.7
427.04791	2.9
445.05673	100.0
446.05954	2.4
463.06693	24.4
464.07230	0.8
537.21912	2.0
581.09393	30.9
582.09338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76313	0.8
54.91077	0.8
56.91983	0.9
59.01237	3.3
60.83873	0.9
61.98707	1.1
71.01221	1.2
71.63123	0.9
72.54496	1.0
75.00721	8.0
80.01345	1.0
84.79283	1.3
96.95853	2.7
100.10649	1.0
128.03381	2.2
135.02856	10.8
135.04405	2.9
169.06546	1.7
171.04433	1.2
175.03900	1.9
183.10239	1.8
195.04495	4.5
197.06038	4.4
199.03978	5.0
204.97015	1.4
210.03214	1.7
211.03981	2.7
223.03975	6.7
225.01958	1.7
229.01811	1.2
240.04704	1.3
241.05043	20.5
261.05774	1.2
266.02295	5.2
267.03000	51.8
267.05899	2.6
285.04126	2.4
293.00958	3.2
294.01807	3.7
295.02390	2.5
317.94473	1.3
377.06714	1.4
383.05466	1.7
389.12726	1.5
417.06097	10.3
419.07709	10.2
427.04913	2.3
434.50931	1.4
445.05704	100.0
446.05728	2.6
581.09515	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50504	47.5
60.69857	46.7
63.91217	47.5
184.19824	63.3
198.24792	70.9
288.53122	63.4
581.27533	100.0
608.54315	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88804	36.3
53.62870	36.5
54.08149	36.0
56.80620	36.6
68.62006	37.8
73.12592	39.5
78.95763	88.4
128.72537	43.5
365.35974	55.9
447.13522	100.0
448.14011	59.3
556.29156	53.2
581.08044	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27029	0.8
59.01241	1.7
69.03319	0.9
71.01242	6.2
76.76930	1.0
78.95766	1.7
78.98435	5.6
79.82705	0.9
79.95591	8.6
80.96372	56.4
85.02789	1.6
87.00742	2.1
88.68123	1.1
94.97939	13.4
96.95874	2.4
101.02287	2.6
106.97968	1.7
122.07200	1.3
122.97456	5.2
125.02308	3.2
134.97461	4.5
137.85646	1.0
146.09731	1.2
148.99010	4.0
152.98476	7.3
164.98529	10.8
180.03072	1.1
182.99602	2.3
189.21721	1.2
206.99667	2.3
225.00708	15.8
226.73813	1.2
232.95461	1.3
243.01831	1.6
281.24915	3.5
299.04419	2.2
391.63293	1.4
547.67242	1.5
564.48419	1.3
581.30090	100.0
582.30261	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25114	0.5
57.27975	0.5
59.01238	4.5
60.01565	0.7
61.97264	1.1
61.98693	100.0
61.99982	1.7
65.12833	0.6
78.95766	1.9
89.65262	0.6
133.94943	0.7
183.52202	0.6
243.08293	0.7
279.23297	9.5
279.26263	0.9
280.23657	13.8
281.23965	11.0
282.24286	3.3
303.23380	1.9
304.23807	1.9
407.73923	0.7
504.31247	0.9
505.31219	1.5
506.31470	5.1
507.31860	3.6
529.31714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	7.3
59.22527	0.7
64.45942	0.7
68.80993	0.7
71.01237	3.0
72.61478	0.7
72.99168	1.4
73.02802	1.2
74.91326	0.7
75.00730	15.8
76.50860	0.7
78.06292	0.7
83.01243	1.1
85.02780	1.8
88.12238	0.7
89.02309	4.0
96.66915	0.9
96.95840	2.5
101.02329	1.8
109.02831	0.9
113.02311	2.0
117.01796	1.5
119.04832	1.0
125.02318	1.6
131.04916	1.0
133.02797	1.0
135.02864	28.3
135.04373	9.4
143.04874	1.3
145.02795	1.7
147.04384	3.2
155.04926	2.7
159.04428	5.1
160.01617	1.2
161.02397	1.7
171.04387	3.9
173.02354	2.8
173.05986	4.2
173.11777	1.6
175.03900	15.1
177.05469	1.4
191.07085	1.6
195.04395	1.2
197.06012	2.2
198.03157	2.7
199.03940	25.3
200.04346	1.3
201.01868	23.6
201.05577	1.4
202.02353	1.0
213.05548	2.1
215.03458	1.0
215.07048	3.1
217.05019	14.0
219.02921	3.1
223.03912	1.3
225.01913	2.3
241.05054	24.3
243.02960	11.4
245.04582	3.3
259.06042	6.5
261.04028	2.2
267.03107	3.8
283.02802	0.8
283.05969	3.9
285.04031	23.9
293.04449	1.3
303.05136	1.4
311.01978	1.7
335.17093	1.2
418.26984	0.8
421.08368	4.7
425.26138	0.9
447.07275	100.0
448.07510	3.6
464.68701	0.9
479.25232	2.0
497.26544	1.3
539.23309	7.5
583.11078	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50190	0.7
57.50746	0.7
65.20046	0.7
69.07732	0.7
78.17093	0.7
78.95747	3.9
79.95593	3.0
91.73310	1.3
96.95868	100.0
96.96770	8.3
100.77802	0.8
118.52597	0.9
146.70369	0.8
178.64610	0.9
183.42348	0.8
296.21475	1.0
302.52545	0.9
328.91891	0.9
374.05267	1.0
536.58258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	6.2
71.01221	0.9
94.06483	2.7
96.95879	2.7
97.86479	0.9
112.82713	1.0
121.05243	0.9
122.05991	5.3
134.06052	1.0
136.07571	6.8
151.00168	1.0
152.07077	3.8
162.05531	2.0
162.54839	0.9
215.08224	1.5
220.64023	1.0
223.08809	2.0
225.10281	3.4
247.46315	1.0
251.08252	3.0
255.11531	1.1
303.15121	1.1
304.14377	1.3
314.13446	1.3
318.16302	2.4
320.17798	2.1
328.14642	2.2
330.12515	1.5
330.16122	1.7
331.13690	1.5
332.14050	1.4
332.17514	1.7
343.14520	1.0
346.15671	4.6
348.17181	2.8
350.15125	2.9
356.13953	2.9
358.11880	1.4
358.15753	2.1
359.12695	1.6
360.17203	4.4
361.15518	2.1
374.15219	4.5
376.16837	2.4
378.18317	7.5
386.15082	7.2
404.16174	100.0
405.16702	2.0
415.66760	1.1
422.17249	24.8
422.23013	1.3
448.15216	1.3
585.07147	2.5
585.23517	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51408	0.9
50.56730	0.8
54.11170	0.7
61.23982	0.9
63.02494	0.8
78.95753	3.9
79.95594	2.0
83.52959	0.9
96.92054	1.1
96.93559	1.5
96.95868	100.0
96.96773	9.5
96.98420	1.2
102.42223	0.9
191.11220	0.9
210.61324	0.9
278.08215	0.9
301.19257	1.2
590.31616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01015	0.3
59.01242	4.2
65.00169	1.2
71.01241	0.5
83.01240	1.2
89.02272	0.4
90.77869	0.4
94.88801	0.9
94.89418	0.9
96.95832	0.6
97.02782	1.0
97.87605	0.4
107.01263	1.9
115.91925	0.4
123.00792	0.7
125.02325	0.9
128.03407	0.8
137.02321	2.8
141.23576	0.4
145.02873	0.6
146.04755	0.4
150.91400	0.4
151.00273	4.1
165.01791	0.9
173.02333	1.4
183.04419	0.5
197.05998	1.1
209.05914	0.8
211.04024	0.5
215.03519	1.1
225.05563	1.9
227.03331	0.5
235.03868	0.5
239.03514	1.1
241.04953	0.9
249.05487	0.6
251.03412	0.7
253.05087	1.5
255.03093	0.5
256.32516	0.4
261.05844	0.5
269.04572	2.5
273.05289	0.4
279.03012	0.7
281.04553	0.9
283.02408	0.9
284.03314	0.5
293.97232	0.4
295.02414	2.0
297.04077	12.4
319.06320	0.4
322.04736	1.0
323.01791	1.0
325.03546	46.1
326.03879	1.7
335.05499	0.9
347.05640	0.9
349.07410	0.6
351.01434	6.5
351.27023	0.4
377.06711	3.7
377.20773	0.4
387.05231	0.5
403.04498	0.8
405.06161	5.9
406.06628	0.5
421.05582	0.6
431.03928	2.9
436.93408	0.5
449.05167	100.0
450.05496	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	3.5
83.01251	2.0
107.01249	4.4
113.57126	1.7
125.02319	10.8
133.02826	6.4
151.00264	14.2
152.99377	1.7
171.04454	3.1
175.03920	2.6
183.70427	1.8
185.06064	3.6
189.05327	2.0
193.01309	2.4
209.05939	1.9
213.05554	6.3
215.03508	2.4
256.87845	2.1
261.03928	2.4
269.04559	5.7
283.02533	2.7
284.03336	3.0
297.03976	3.9
298.04904	6.2
299.05487	3.9
306.05420	8.1
321.07687	11.3
322.04883	5.0
323.05615	57.1
325.03516	43.0
337.06937	2.8
341.06668	36.5
365.06702	59.6
366.06653	2.3
367.04547	12.6
391.04520	4.9
409.05685	100.0
410.06055	3.3
433.05759	4.8
461.05219	6.6
477.04602	7.1
483.28909	2.5
569.07202	4.6
587.08502	34.9
588.08423	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71087	0.6
57.22761	0.6
58.33875	0.6
59.01254	1.6
62.39577	0.7
63.02272	0.9
65.00185	1.5
68.65455	0.6
73.02807	0.9
74.02287	0.7
83.01237	2.1
91.69481	0.6
95.01274	0.7
107.01266	2.7
125.02334	1.0
127.78376	0.7
128.03395	1.5
135.04393	1.0
137.02318	8.9
151.00240	5.0
165.01825	3.9
183.04298	0.8
213.05618	0.9
225.05513	2.7
227.03479	1.5
253.05087	1.3
255.03085	1.8
269.04495	1.7
283.02530	2.5
284.03229	2.1
293.04282	1.1
297.03992	2.9
307.06079	0.9
309.04041	1.4
323.05603	1.7
325.03485	1.4
334.04672	0.9
335.05521	1.1
337.03534	1.3
337.07196	0.9
347.05817	1.3
363.05188	2.0
377.06671	3.9
379.04459	2.0
381.06064	5.6
388.24866	0.8
391.04602	2.0
393.06241	1.6
403.04916	1.0
405.06158	1.5
407.04169	2.0
421.05582	2.7
431.04050	4.4
449.05148	100.0
450.05539	3.1
569.06915	1.6
587.08423	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60202	0.3
56.28555	0.5
59.01233	1.1
63.02248	0.5
65.00179	1.5
71.01234	0.5
83.01244	2.1
89.02274	0.4
89.69672	0.4
95.01252	0.4
96.95880	0.8
107.01273	2.2
117.72938	0.4
117.77570	0.4
122.77474	0.4
125.02303	0.7
128.03407	1.6
134.86409	0.8
134.89346	13.0
135.04393	0.6
137.02339	3.5
151.00255	4.4
165.01826	3.0
171.04366	0.4
183.04375	0.5
197.06107	0.7
209.35504	0.4
211.03929	0.8
213.05467	0.8
223.03859	0.5
225.05528	1.4
227.03433	1.4
239.03551	0.7
240.25293	0.4
241.05046	1.2
243.03049	0.8
248.04648	0.4
251.03581	0.5
253.05078	1.3
255.03008	1.6
265.04886	0.5
269.04572	1.3
281.04578	0.5
283.02481	2.8
284.03305	1.6
285.04016	0.6
291.06354	0.5
293.04730	0.7
297.04050	3.0
303.83575	0.4
309.04016	1.2
321.04153	0.5
323.05673	1.3
325.03522	1.2
331.06027	0.6
335.05692	1.2
337.03635	1.7
347.05652	0.6
349.07257	0.9
353.06274	0.8
363.05170	1.0
375.05157	0.8
377.06735	3.0
379.04565	1.4
381.01889	0.5
381.06281	4.5
391.04538	2.0
393.06219	2.3
403.04626	1.4
405.06268	0.8
407.04211	1.4
421.05692	2.4
431.04089	3.5
449.05167	100.0
450.05524	3.6
523.25671	0.5
569.07349	0.6
587.08490	1.1
587.24664	0.4
592.81506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.4
71.01245	0.8
78.48030	1.4
94.47288	0.6
96.95859	2.2
100.01541	0.6
101.02362	0.8
109.02795	0.7
110.55260	0.6
123.04397	0.8
128.03426	1.3
133.02866	0.9
135.04410	2.0
137.02342	1.0
143.04935	2.1
147.04514	0.7
149.02362	1.4
151.00229	1.3
151.03856	0.6
171.04460	2.4
173.02321	1.6
174.03012	0.8
175.03922	4.5
177.01807	3.0
199.03932	6.2
201.01917	2.5
214.02795	0.7
215.03378	4.1
218.64507	0.7
225.01852	1.0
227.03584	0.7
243.02975	56.6
244.03336	1.1
269.00946	2.5
285.03986	1.6
297.00803	1.0
335.05447	1.2
359.05652	1.4
377.06726	0.8
391.04648	6.0
393.06204	2.6
403.04626	2.6
421.05685	100.0
422.06213	1.7
434.37122	0.7
449.05246	1.6
569.07336	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	2.5
62.96703	0.6
63.02259	0.8
63.49869	0.5
65.00173	2.6
72.72844	0.6
78.95734	0.8
82.29227	0.5
83.01235	1.7
91.63226	0.6
94.88866	1.1
94.89367	1.0
96.95837	1.3
97.02818	1.4
99.19781	0.7
101.02341	0.7
105.24676	0.6
107.01231	3.0
113.02265	0.8
125.02352	1.3
128.03459	0.7
137.02325	6.0
151.00269	6.9
165.01837	2.1
169.06497	0.7
173.02296	2.0
177.01875	0.8
183.04474	1.1
197.06026	1.8
199.04004	1.2
209.06068	0.9
211.04022	1.2
215.03305	1.6
225.05513	2.7
233.56670	0.8
239.03516	1.4
241.05089	1.6
243.02951	2.3
251.03487	0.8
253.05063	2.4
267.03012	1.4
268.38635	0.7
269.04688	5.3
275.07056	0.8
279.03088	1.1
281.04437	1.6
283.02521	2.1
295.02356	3.8
297.04041	21.1
319.05960	0.8
322.04645	1.0
323.01807	2.3
323.05365	0.9
325.03552	67.5
326.03806	2.0
335.05453	0.9
347.05676	1.3
351.01495	7.3
377.06754	4.6
379.04437	0.8
403.04559	0.9
405.06253	8.6
421.05649	4.5
431.04309	4.1
449.05173	100.0
450.05496	2.7
569.07446	2.5
587.08398	34.6
588.08716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.7
59.01230	12.6
59.01492	2.3
60.24635	2.3
63.02239	2.7
65.00182	4.1
72.27332	2.4
73.02785	3.0
78.95753	2.5
79.38232	2.2
83.01254	5.3
88.98676	4.8
96.95869	6.2
107.01206	3.6
109.02773	3.1
121.12056	3.0
123.04436	5.3
125.02332	18.1
128.03397	4.1
133.02762	4.0
135.55986	2.9
136.07570	11.4
143.04924	3.7
149.02310	6.9
151.00266	9.6
151.03819	3.8
162.05530	3.4
165.94608	2.9
167.03548	5.9
167.04909	4.3
171.04413	11.9
175.03958	4.2
177.01833	4.5
179.14177	2.9
186.80864	2.7
187.03888	4.1
191.03200	3.4
193.01381	9.2
199.08658	4.6
211.03926	5.5
213.05573	10.0
214.02681	5.0
215.03435	68.3
239.03484	14.6
239.11670	3.3
241.01442	7.3
255.02913	4.0
257.04581	18.2
267.03156	5.2
282.01727	14.6
283.02493	64.7
284.02985	6.5
297.04044	7.8
298.04749	3.2
309.00507	8.2
323.05518	15.8
325.03546	22.8
330.16171	3.1
332.17664	13.1
334.19382	6.5
336.20932	11.9
341.06595	21.9
346.15536	5.8
347.05121	3.7
360.16962	13.5
362.14590	5.5
362.18768	77.4
363.16153	4.3
365.06689	59.8
367.04578	4.3
375.04968	5.4
380.19785	26.7
388.16516	4.3
391.04498	9.2
393.06186	100.0
399.05197	5.8
404.16211	6.6
405.16391	18.7
406.17661	38.3
409.00299	3.6
409.05652	72.9
417.05981	4.5
423.17627	4.5
424.18768	39.7
433.05649	5.5
435.07178	12.7
461.05130	73.7
477.04697	5.4
543.27637	4.4
569.07245	35.6
587.08160	26.5
587.24890	30.3
587.41705	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76387	0.3
60.60042	0.2
62.28439	0.2
76.57256	0.2
77.29322	0.2
78.93724	0.3
78.95762	43.6
78.97565	0.7
79.05453	0.2
81.45690	0.3
87.40990	0.2
96.95883	0.4
96.96828	3.5
108.34540	0.4
109.92195	0.2
150.97900	0.6
152.99478	50.0
153.04327	0.6
163.89079	0.2
171.00549	20.1
171.06279	0.3
232.23129	0.3
245.04306	100.0
245.14131	1.0
246.04660	0.6
422.37167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26149	0.9
59.01239	9.0
62.39336	1.0
71.01241	1.3
78.95786	1.2
82.02846	1.5
84.04405	1.7
85.02814	1.2
96.95887	2.1
98.69673	1.1
115.36223	1.0
116.03613	1.5
116.07040	64.7
119.94573	1.2
127.08682	1.6
127.99442	1.4
128.03404	100.0
131.26898	1.2
139.08678	1.5
148.04227	1.3
151.56895	1.4
155.11723	1.1
172.06322	1.4
180.06522	1.3
183.11267	7.1
209.09276	9.2
227.10347	9.4
245.11415	87.3
259.07877	1.4
277.08698	3.8
283.06958	1.7
309.11444	4.3
342.59576	1.4
478.66867	1.3
503.83160	1.3
610.90564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90094	1.0
58.70712	1.0
59.01262	3.2
68.61666	1.1
71.50264	1.0
78.95773	1.5
82.02863	5.3
84.04396	5.9
85.11814	1.3
85.35677	1.0
86.02357	3.9
88.85274	1.0
90.46303	1.1
96.95937	2.0
101.86726	1.2
109.07633	2.4
116.61587	1.2
120.01096	1.2
120.56309	1.2
127.05051	3.8
127.08662	4.6
128.03404	100.0
128.59715	1.3
131.61838	1.2
134.89352	10.7
135.11728	3.6
135.89449	3.9
136.72145	1.5
137.02322	1.5
151.08786	1.3
153.06569	6.9
171.07661	16.8
195.07755	3.0
197.05717	2.2
209.11836	4.0
220.47369	1.4
243.10770	2.1
249.71254	1.6
256.62683	1.4
268.26450	1.4
282.10983	3.6
298.66373	1.4
300.12097	3.5
330.13782	7.9
344.10931	9.5
402.46521	1.4
406.77390	1.4
441.17157	8.8
449.05115	8.4
450.05557	25.6
451.05835	1.5
459.18076	10.2
494.82513	1.5
552.20386	3.9
570.21356	6.6
588.22375	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08981	5.0
58.86163	4.8
59.01021	3.8
59.01246	38.0
61.89605	4.5
64.16148	5.4
64.96548	4.9
65.16765	5.7
70.73205	5.0
71.01244	12.3
73.02816	12.3
79.95588	6.4
85.02802	5.0
88.33764	5.5
96.95892	11.0
99.10547	5.4
101.02304	8.6
102.05483	35.8
104.47729	5.5
116.92603	6.2
128.03400	69.8
132.29298	6.4
146.04453	8.7
196.83667	7.4
240.63205	6.0
252.12350	6.4
265.01056	7.6
306.07413	9.0
373.18695	15.8
407.71661	6.9
415.19562	28.0
477.07083	7.4
526.23358	7.1
544.24109	100.0
564.91119	7.5
588.28375	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33146	1.1
57.03301	2.1
59.00087	1.4
59.01244	61.3
59.02483	1.4
65.00178	5.0
68.56110	1.4
71.01238	8.3
73.02802	3.0
83.01247	4.9
84.92471	1.2
85.02802	2.6
89.02219	1.4
101.02291	4.0
107.01254	7.9
109.02831	3.8
113.02317	2.7
125.02312	24.6
133.02847	8.4
145.06494	2.4
149.05949	2.8
151.00264	26.7
151.03958	2.8
158.03519	1.6
161.04420	2.8
167.04997	1.2
169.06310	1.6
171.08188	1.4
172.05072	1.5
173.05978	43.5
175.03920	25.5
176.04623	1.3
177.01889	2.2
187.07596	4.3
191.07076	36.9
197.06018	1.5
199.03891	4.3
200.04768	3.0
201.01901	3.2
213.05409	1.7
215.07085	59.8
216.07222	1.8
217.05045	18.7
219.02902	2.2
223.04030	2.4
234.65302	1.4
239.07118	4.8
241.05023	11.3
253.08401	1.4
257.08228	3.0
259.06122	80.7
261.04013	4.7
263.07065	2.1
265.05038	2.2
267.02948	2.6
281.08167	4.1
283.06131	9.5
285.04129	8.4
301.06958	2.4
306.14474	1.3
309.04001	4.1
317.87418	1.6
323.09250	2.1
325.07047	2.0
327.05164	15.6
367.08319	5.1
411.07257	100.0
412.07666	2.1
437.08911	12.8
445.05371	2.1
461.05325	1.8
463.06726	6.6
467.29965	6.9
479.06116	13.0
509.31296	5.3
588.28503	1.7
589.09979	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.00012	1.6
59.01242	100.0
59.02291	1.3
66.95326	0.3
71.01241	8.5
73.02810	4.1
83.01242	2.0
83.48747	0.3
85.02805	5.8
87.00755	0.4
87.36188	0.3
88.71235	0.3
89.02293	0.8
91.73389	0.8
95.01257	0.9
99.00750	1.2
101.02306	7.7
111.08082	0.3
113.02307	4.2
125.02361	1.1
143.03407	0.9
151.00296	1.0
159.02911	1.1
161.04454	5.0
161.05640	0.5
167.10747	0.5
173.06042	1.3
174.02696	0.3
175.03976	0.6
191.07127	1.1
193.05424	0.3
215.07115	1.9
217.05014	0.4
241.05135	0.3
253.09557	0.3
259.06073	2.5
266.65048	0.3
283.06244	0.4
327.05182	0.5
353.23425	1.2
405.98126	0.3
411.07159	2.8
437.09235	0.4
460.29108	0.3
463.07214	0.5
467.30130	11.0
468.30710	0.6
479.05832	0.4
509.31210	10.8
510.31696	1.0
553.30109	0.7
589.10529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23420	0.2
61.08007	0.3
65.56767	0.2
69.83226	0.2
70.71408	0.3
72.99165	1.5
74.99041	1.5
75.00730	100.0
75.02612	1.0
78.95760	0.8
91.72766	0.4
93.66386	0.2
95.32208	0.3
116.24397	0.2
125.58456	0.2
140.04216	0.3
144.01505	0.3
179.16806	0.3
181.41658	0.2
184.41734	0.2
206.68475	0.3
230.08395	0.3
268.58994	0.3
268.97498	0.2
277.21872	0.5
311.42569	0.2
326.63495	0.3
335.46033	0.2
410.48346	0.3
548.16797	0.2
591.16736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.2
60.95141	0.7
61.59023	0.7
61.98698	0.9
63.24415	0.8
72.99193	0.9
74.99043	1.7
75.00734	100.0
75.23943	0.7
78.95770	1.9
79.84435	0.8
83.43564	1.0
94.67774	0.8
127.34966	0.9
176.85056	0.9
232.35890	0.9
303.23331	3.2
304.23712	2.1
337.14496	0.9
362.94373	0.9
398.10251	1.0
400.99451	1.1
528.30908	2.0
529.31628	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91111	0.6
72.99140	1.3
74.98940	1.1
75.00731	100.0
75.02325	1.5
78.95748	1.2
131.56810	0.7
180.34148	0.9
192.05031	0.7
235.76869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74639	0.6
54.03112	0.7
58.00460	5.7
59.01254	1.8
64.23211	0.6
71.01235	3.0
73.02814	1.0
76.11589	0.6
84.04404	1.4
84.85264	0.6
85.02811	1.1
85.70577	0.7
91.72759	0.9
95.46574	0.7
96.04423	0.9
100.03896	0.8
100.07513	1.3
101.02276	0.7
102.04791	1.8
102.05467	31.8
107.04858	0.7
108.04420	1.6
113.02339	0.7
122.05975	4.3
124.07537	3.4
128.03410	35.1
132.04445	2.4
132.08070	1.0
136.10966	0.9
146.04471	15.7
146.05994	8.2
147.06676	1.3
147.11278	0.7
150.05495	12.3
160.07530	0.9
161.04669	1.0
162.05504	1.3
164.07104	1.7
165.06526	0.7
167.05768	1.8
172.03902	1.2
174.05540	5.3
175.06300	1.9
176.07063	2.9
178.87111	1.0
184.24600	0.8
186.05533	1.5
187.06245	1.1
188.07149	1.8
191.05656	0.8
193.09688	1.1
195.05121	0.8
198.09227	2.3
200.07077	0.8
200.10716	3.2
202.05014	1.3
204.06580	10.9
205.07309	1.8
206.08043	1.1
207.05304	1.8
212.10747	2.9
213.08060	0.9
213.10303	1.5
216.06598	1.3
217.07367	2.3
226.07359	1.9
226.12357	1.2
227.08037	3.6
229.09782	1.5
237.06404	3.2
240.08783	2.1
241.07402	3.7
241.09821	8.9
242.10434	0.9
243.11380	9.4
249.06473	1.3
252.10936	2.8
253.09702	4.2
253.11778	4.5
254.11732	2.5
255.11407	13.0
257.12970	1.0
267.11380	1.8
268.08423	1.0
269.09332	1.7
269.12961	3.9
271.10922	2.3
271.14563	3.7
279.11630	1.1
281.09390	2.5
282.10092	1.2
283.10910	12.1
285.08716	2.0
285.12482	1.4
295.10855	5.3
296.10287	1.1
297.12427	15.7
299.10767	1.2
299.13983	2.8
301.11981	2.2
309.12289	2.0
311.10770	1.5
311.14001	5.1
313.11996	12.3
325.11996	7.4
327.13589	4.0
329.15173	10.0
337.12015	9.7
339.13492	3.4
341.14722	0.9
343.12933	3.3
349.11942	1.8
355.13016	49.0
367.13080	5.9
373.09460	1.6
373.14084	27.9
373.18790	1.8
381.15021	1.0
385.14056	5.6
391.13083	6.8
398.17010	1.7
400.18762	1.1
409.14026	4.6
440.17935	0.9
454.16357	1.2
458.19318	2.7
463.17154	1.8
472.17215	5.6
484.17343	6.5
502.18341	88.0
503.18665	2.3
514.18219	7.1
532.19373	6.2
538.18378	4.8
554.04395	0.8
556.19476	6.3
574.20428	3.9
592.21564	100.0
593.21893	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07821	0.7
52.37428	0.6
58.00463	7.9
59.01248	1.8
60.49441	0.7
71.01245	3.0
84.04430	1.6
88.60447	0.7
91.73318	1.0
94.02834	0.9
96.04420	1.6
96.95871	1.9
102.05469	35.9
104.78539	0.7
106.56093	0.7
108.04438	1.9
110.05992	0.9
112.05537	0.8
118.06546	1.1
122.05965	5.7
124.07529	1.9
128.03407	35.2
132.04433	2.4
134.05998	0.7
136.07567	0.8
137.04721	1.2
144.04434	0.8
146.03429	1.4
146.04485	15.6
146.06013	10.4
150.05481	10.9
158.05988	1.6
160.03894	1.2
160.07568	2.0
161.04741	0.9
162.05469	1.6
163.14513	0.8
167.05765	2.4
168.06534	1.0
170.50888	0.8
172.03900	1.8
174.05478	5.3
174.09204	0.9
175.06273	2.5
176.07080	2.4
179.05849	2.2
186.05525	1.6
186.09145	0.9
188.07104	3.0
198.09268	1.7
200.07085	0.9
200.10768	3.4
201.10329	1.0
202.05067	1.7
203.05783	1.7
204.06610	12.6
205.07367	2.5
206.04387	0.9
207.05450	1.5
209.12953	1.0
212.10794	3.2
213.10323	1.1
215.11829	1.4
215.90511	0.8
216.06641	2.3
217.07426	3.0
225.06668	1.5
226.07471	2.3
226.12346	2.3
227.08255	4.3
227.11804	1.1
228.08908	1.4
228.13930	1.3
229.09819	1.1
229.13452	1.3
237.06367	4.5
239.08171	2.0
240.06688	1.4
240.09109	3.9
241.07416	3.6
241.09860	14.3
241.12109	1.2
242.10506	1.1
243.11359	11.2
249.06435	3.2
252.11015	2.4
253.09680	4.1
253.11874	6.0
254.10715	2.7
254.11690	2.5
255.08670	1.0
255.11392	19.6
260.07919	1.1
267.07800	1.2
267.11346	1.7
268.08621	1.2
268.13336	1.2
269.09573	4.7
269.12869	6.2
271.11139	4.1
271.14395	4.2
279.11493	1.7
281.09457	3.0
281.12885	0.8
282.10178	0.9
283.07928	1.4
283.10922	18.2
285.08835	2.1
285.12207	1.7
294.11102	0.8
295.10925	6.9
295.14142	1.0
296.11624	1.6
297.09073	1.4
297.12463	23.7
299.10574	1.5
299.14072	3.1
301.11884	2.4
309.12515	2.1
311.10632	1.3
311.13959	7.7
312.12811	0.9
313.12018	14.4
313.15439	1.3
313.19980	0.7
314.39050	0.8
319.10696	1.0
321.08945	1.3
323.14108	1.0
325.11932	12.3
327.13376	4.7
329.15082	11.1
337.11954	14.5
337.15875	1.2
339.13507	3.2
341.15216	1.4
343.13025	3.5
347.71960	0.8
349.12039	2.3
355.13031	67.0
356.13519	1.3
363.13354	0.9
367.12985	7.2
373.14050	29.1
375.07654	0.8
385.14157	10.1
391.12985	6.4
396.19296	1.8
398.17227	2.3
403.15106	2.2
409.14169	7.0
427.15085	4.2
428.18076	1.1
440.18253	1.1
445.16367	3.6
454.16089	1.3
458.19388	4.3
463.17242	8.1
472.17224	8.0
484.17282	14.1
496.17825	1.0
502.18344	75.6
503.18420	2.3
514.18323	8.8
532.19421	13.3
538.18262	3.4
556.19379	4.0
563.55157	1.1
574.20367	15.2
592.21533	100.0
593.21899	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.7
62.22760	0.4
68.78675	0.4
71.01227	0.8
72.99151	1.2
73.02810	1.3
75.00732	10.8
77.03814	1.7
89.02309	2.4
89.03838	0.7
91.92910	0.4
93.03317	1.1
95.04888	4.1
99.00734	3.4
100.27594	0.4
102.94739	0.4
104.98103	0.7
105.03324	15.4
105.04018	1.0
107.04895	1.0
109.02816	1.0
116.92721	1.6
117.01785	0.9
117.03317	0.9
119.04905	0.8
121.02838	7.1
123.04386	4.5
131.04903	0.6
132.02083	0.7
132.98874	1.1
133.02831	100.0
134.03441	1.1
135.02870	56.1
135.04349	4.3
139.03874	0.6
142.45372	0.5
143.21347	0.5
145.02840	0.6
147.04381	2.8
148.05234	2.8
149.02322	9.5
149.05956	5.6
150.03088	1.9
151.03894	2.4
159.02899	4.7
159.04408	2.2
161.02335	5.4
161.05945	0.9
162.03093	0.9
163.03885	4.9
169.22292	0.4
173.90546	0.5
175.03912	1.0
176.04649	0.5
177.01851	60.7
177.05447	16.6
178.02257	0.7
179.03426	3.1
195.02936	1.0
207.06577	8.7
216.31261	0.5
217.09991	0.5
229.01454	0.6
251.05576	6.4
295.04541	5.9
297.06100	7.1
319.75244	0.5
321.04007	0.5
339.05081	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.2
76.03088	0.2
77.03823	0.3
80.55017	0.1
120.02013	1.8
120.99371	1.3
121.02818	100.0
121.06727	0.9
122.03146	1.0
136.01530	0.4
165.01836	4.3
180.05692	0.5
181.06503	2.8
197.06009	2.0
207.04424	0.8
207.08116	0.4
208.96790	0.5
209.04497	46.1
210.04840	0.6
223.03996	0.2
225.05522	1.7
251.07112	0.4
257.09717	0.6
285.09204	0.3
300.09286	0.1
301.08533	0.3
313.07141	2.4
329.08405	0.2
339.08777	0.3
357.06271	0.9
373.10672	0.3
383.07590	1.0
401.08621	0.2
417.09814	1.2
505.11465	2.4
506.11578	0.2
549.10431	5.8
550.10760	0.3
576.08160	0.1
593.13074	8.1
594.13470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.5
58.99979	1.4
59.01242	100.0
59.02345	1.7
63.58351	0.6
64.84174	0.5
67.13319	0.5
68.33089	0.4
71.01234	6.5
71.05621	0.4
72.99195	0.5
73.02808	4.2
83.01266	2.1
85.02795	4.6
88.98669	1.1
89.02307	1.1
93.03310	8.5
93.32344	0.5
99.00761	1.4
101.02299	12.8
105.17812	0.5
113.02302	4.2
124.46813	0.5
125.02325	0.6
128.03351	1.3
130.39465	0.5
135.02939	0.5
137.02318	15.0
158.57854	0.5
159.02945	1.3
161.04454	4.0
207.08679	36.1
209.65730	0.6
249.09784	12.4
249.12399	0.9
271.53873	1.1
299.03482	0.6
299.07257	2.2
593.17767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.9
58.42588	0.5
59.01241	36.6
59.02453	0.7
60.99171	3.4
67.44855	0.6
71.01238	24.0
71.14220	0.6
72.99171	1.5
73.02779	1.9
83.01254	1.7
85.02808	5.7
87.00716	3.3
88.98660	28.8
89.02296	100.0
89.04581	1.3
95.01188	0.7
101.02301	19.4
101.02962	1.3
113.02303	11.7
113.03011	1.2
119.02594	1.2
119.03365	14.2
125.11784	0.6
131.03395	2.1
143.03355	3.1
155.80690	0.6
161.04460	5.5
167.73645	0.7
179.05522	17.1
221.06589	4.0
251.07707	52.5
252.08128	1.1
265.20181	1.9
301.12097	0.8
323.09845	4.7
503.16211	77.8
504.16299	3.4
543.94031	1.1
570.93353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99941	1.1
59.01242	100.0
59.02417	2.2
61.98701	1.3
63.57395	0.9
71.01237	8.6
73.02805	3.3
75.00754	0.7
83.01241	2.1
83.41307	0.5
83.78367	0.7
85.02799	4.2
87.91325	0.6
89.02306	3.6
91.72660	0.7
93.82492	0.6
94.92319	0.6
101.02309	7.4
113.02301	3.3
115.53854	0.6
119.03370	1.6
143.03340	0.7
161.04451	3.0
179.05600	0.9
398.94150	0.7
463.27100	6.5
496.71817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	4.7
60.34657	3.9
66.08614	5.5
70.05408	4.5
72.71217	4.6
75.00734	5.7
78.95757	51.8
78.96138	5.1
79.26496	4.4
81.69662	4.2
96.96834	14.4
110.92749	4.7
120.32243	4.6
128.68204	4.4
136.48930	5.0
152.99475	82.0
153.00621	9.2
223.00142	10.2
241.01280	17.4
262.03488	5.6
277.21683	41.7
315.05014	10.1
340.78448	6.3
461.29517	5.1
489.00439	5.6
549.11993	6.6
564.63342	6.4
593.27350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65919	1.0
59.01232	1.5
61.98692	1.5
62.28004	1.0
63.11737	1.4
67.11938	1.1
67.29298	1.3
71.20951	1.3
78.95760	63.2
96.96829	13.4
138.13731	1.5
152.60629	1.7
152.99477	99.7
171.00507	2.0
172.42061	1.2
203.06200	1.2
214.37589	1.3
223.00101	12.6
241.01173	28.0
255.05391	1.4
277.21747	54.2
315.04886	19.3
363.10693	1.6
430.25159	1.6
445.98190	1.8
593.27338	100.0
594.27325	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05393	0.2
58.18223	0.2
59.01241	1.8
65.54625	0.2
71.01233	1.1
72.99171	1.3
74.98945	0.2
75.00732	19.6
81.55573	0.2
87.00729	0.3
89.02303	4.3
90.65015	0.2
90.87090	0.2
99.00770	0.3
105.03314	0.6
117.01807	1.4
129.75777	0.2
133.02837	3.0
134.03201	0.7
134.98497	1.0
135.02872	100.0
135.04327	4.8
135.06676	1.0
136.03217	0.8
152.62514	0.2
159.04774	0.2
161.02336	3.4
177.01837	1.2
177.05525	0.4
178.02197	0.5
179.03412	4.7
199.39304	0.2
297.06158	15.0
298.06573	0.5
461.42612	0.2
480.78979	0.2
484.60931	0.2
526.57855	0.3
595.13782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03443	0.6
59.01236	1.8
69.31551	0.7
71.01224	1.3
72.99175	1.0
73.50217	0.6
73.94529	0.7
75.00729	17.8
87.42466	0.8
89.02299	4.2
89.69696	0.8
97.41871	0.9
102.05499	1.0
105.03246	0.9
117.01807	1.9
128.03389	1.3
132.85066	0.8
133.02835	4.9
134.03119	0.9
135.02867	100.0
135.04335	7.8
135.06998	1.3
161.02405	3.7
167.07115	0.9
177.01817	1.3
179.03445	6.7
183.93906	0.8
184.35104	0.9
186.73083	0.8
199.11809	0.9
255.65099	0.9
297.06161	29.3
306.07413	0.8
487.92487	0.9
497.03711	0.9
504.18494	1.0
594.22217	2.1
595.22424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2893
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.67975	2.3
67.91235	2.6
70.12196	2.7
70.78997	2.3
75.98631	2.5
78.95760	59.9
80.58937	2.6
91.72720	3.5
96.96825	10.5
118.44151	3.2
152.99469	92.7
185.53944	3.1
193.78926	3.3
214.21913	3.0
223.00145	11.3
241.01199	27.4
257.74561	3.2
279.23285	72.6
315.04797	14.2
323.00787	3.0
461.48502	3.6
595.28931	100.0
596.28064	6.2
606.14069	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04630	1.4
70.49327	1.5
75.00723	6.6
78.95759	57.3
82.13476	1.6
96.96822	11.1
107.73484	1.6
138.51691	2.2
152.99472	79.9
163.12598	2.1
187.49802	1.7
223.00063	12.0
241.01167	28.4
259.02356	3.8
279.23294	67.0
279.26340	3.8
280.23639	1.8
315.04953	15.2
522.50531	2.2
595.28986	100.0
596.29517	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.4
61.98682	4.2
68.45570	2.3
77.73486	2.4
82.02858	7.0
84.04440	6.0
86.02368	4.1
98.03466	2.6
111.81783	2.7
120.01170	4.2
125.50906	2.5
127.05034	4.3
127.08657	5.8
127.44599	2.4
127.97437	2.7
128.03407	100.0
153.06589	13.8
160.53514	2.9
171.07671	19.0
195.07787	5.1
215.06824	2.5
215.16599	8.3
227.90872	2.5
231.04605	5.2
249.05504	12.7
251.14716	3.1
264.09915	4.7
264.24658	2.8
344.10980	12.5
360.08969	9.0
378.09842	65.9
384.16089	3.2
481.45056	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10470	7.6
58.70512	6.8
59.01232	42.2
61.98697	11.6
69.83345	8.4
96.95885	33.0
116.92757	22.7
128.03438	19.9
131.66928	8.8
209.11835	30.1
253.09344	25.3
263.18185	10.7
307.19135	100.0
325.20264	30.9
347.89413	10.6
512.53632	9.8
543.28040	90.7
561.29114	27.8
597.27002	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70332	10.5
59.01235	41.7
60.07413	10.0
61.98697	45.5
62.52155	10.5
69.32308	10.8
70.13168	11.8
71.01246	13.3
80.41261	11.9
82.13967	12.6
84.94968	20.0
88.88306	11.6
96.20520	10.9
96.95873	37.2
98.18193	13.3
101.02307	12.1
102.03807	11.5
102.04708	12.1
113.02315	17.1
128.03406	16.6
129.88330	12.4
140.24492	12.2
143.98978	19.4
152.56006	14.9
205.46033	15.7
209.11842	24.5
247.14708	16.8
253.09331	19.1
307.19205	78.8
325.20306	37.7
483.02866	17.0
543.28156	100.0
561.29291	37.3
597.26776	79.3
620.34998	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3052
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
53.97955	1.2
55.45036	1.2
56.62708	1.2
61.84295	1.5
64.54427	1.2
69.65598	1.2
78.95302	3.4
78.95758	57.5
82.28660	1.6
92.32081	1.6
94.71992	1.3
96.96828	10.9
152.99475	95.7
153.22856	1.6
171.00584	2.4
223.00049	11.2
241.01183	25.3
259.02319	2.5
281.24866	77.2
315.04816	15.2
392.13629	1.7
597.30536	100.0
598.30872	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42062	0.2
59.00053	0.7
59.01241	30.2
68.89561	0.2
69.03326	0.3
71.01241	4.4
73.02810	1.1
74.04823	0.2
75.67106	0.2
81.03336	0.3
82.65026	0.3
82.93291	0.3
82.95270	8.8
83.01250	0.6
83.02362	0.2
83.04878	0.5
84.00754	0.4
85.02811	1.1
87.00723	0.5
89.02300	5.0
90.24642	0.2
94.90244	0.2
95.01248	0.5
99.00721	0.3
101.02305	5.8
110.80873	0.2
113.02313	2.4
119.03355	1.5
121.10146	0.3
125.02332	0.4
133.04884	0.3
135.11687	0.4
143.03404	0.3
147.11694	0.2
148.73366	0.3
149.13255	0.4
161.04437	2.3
179.05507	0.8
189.94821	0.3
203.17979	2.1
223.16998	0.4
235.08206	1.3
253.09285	22.6
254.09482	0.3
257.22742	9.7
271.20703	0.3
283.20670	0.8
301.08041	0.9
301.21738	100.0
302.22079	3.9
326.72952	0.2
548.97156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.7
59.52412	0.2
63.35018	0.2
71.01231	0.3
79.86086	0.2
81.03313	11.9
83.04875	40.2
83.06879	0.7
84.05229	0.3
90.62960	0.3
100.07535	6.3
102.02314	0.2
102.05450	0.3
108.04439	0.4
111.09145	0.2
112.79700	0.3
125.07074	0.3
126.05471	0.9
127.03908	0.5
128.03403	0.9
145.04926	0.5
146.04495	0.4
154.42531	0.3
157.13307	0.3
164.88684	0.3
182.15355	0.6
199.18085	9.0
200.49281	0.3
207.14928	0.6
211.14912	0.6
224.17657	0.7
225.16054	8.5
226.14449	0.4
243.17116	20.5
244.17424	0.3
269.15112	1.1
273.16785	0.3
291.20834	0.3
309.21805	1.4
335.19672	0.3
353.20859	6.9
404.11066	0.3
425.35101	0.4
433.32242	0.3
451.33041	2.8
469.33948	14.7
470.34158	0.9
495.31641	0.4
553.39600	0.4
579.21344	0.3
579.37469	3.7
597.38721	100.0
598.39044	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83273	0.4
54.48861	0.4
56.79110	0.4
56.99223	0.4
59.00975	0.5
59.01242	8.5
59.24299	0.4
61.09924	0.4
61.16120	0.5
67.20464	0.6
70.18586	1.1
70.18888	0.5
71.01244	4.0
71.14622	0.4
73.02805	7.8
80.43517	0.4
80.70761	0.4
83.01226	1.3
85.02811	1.2
85.21601	0.6
89.02291	2.0
91.73450	0.6
92.02402	3.0
96.95860	1.5
101.02296	6.0
107.03518	0.9
107.06013	0.5
107.09612	0.4
113.02298	1.3
116.32019	0.5
117.19852	0.5
119.03402	0.7
128.03397	2.2
133.03792	2.2
134.04597	11.5
144.03032	0.6
146.04648	0.6
160.06169	1.8
161.04597	0.6
173.08179	2.0
176.07101	0.6
194.08127	0.8
198.07735	0.6
200.09346	100.0
201.09622	1.4
218.10464	6.1
230.70471	0.5
241.86662	0.5
328.10501	0.6
362.10641	0.9
362.14755	10.4
376.61804	0.5
380.15759	26.6
381.15601	0.7
399.31140	0.6
422.16852	49.0
423.16998	1.2
457.14774	3.2
512.20056	5.5
512.27362	0.8
554.21136	2.4
626.04584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71584	3.8
59.01243	68.2
71.01241	36.5
73.02804	21.0
78.70149	3.9
79.91862	3.8
80.04933	3.9
82.52771	4.1
85.02815	25.2
87.00726	8.0
89.02283	30.4
95.02329	5.2
96.95856	18.7
97.02811	8.9
99.00694	6.4
101.02316	43.1
103.49859	3.7
113.02317	18.3
115.00240	7.0
115.03931	5.3
119.03361	10.2
125.02312	7.5
128.03452	10.8
131.03423	6.7
132.02899	6.3
143.03377	10.0
161.04448	12.8
170.09311	5.9
179.05531	27.9
180.24448	4.0
203.05501	31.7
209.10399	10.1
211.05803	4.5
221.06609	100.0
227.11534	11.5
245.06647	6.6
305.08936	5.3
323.09781	13.3
458.14743	7.4
463.88998	5.0
469.15598	20.7
484.27985	10.3
555.19147	8.2
574.74469	5.4
599.30627	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39793	2.6
50.80198	3.1
51.41716	2.9
54.60289	3.2
57.03304	3.8
59.01239	77.3
71.01240	61.6
73.02809	44.0
82.31931	3.3
83.01249	14.1
85.02808	52.6
87.00741	7.4
89.02299	70.1
89.08676	3.1
95.01273	3.5
96.92976	3.2
96.95900	21.2
97.02798	19.6
101.02299	88.1
103.03903	6.1
113.02309	44.9
115.03878	4.5
119.03349	24.7
125.02378	4.8
128.03464	5.3
131.03337	6.7
143.03354	11.3
149.04524	3.9
161.04442	100.0
179.05536	52.6
197.20001	3.7
215.74271	4.2
221.06630	91.5
263.07684	13.4
281.08875	12.2
406.12595	3.9
427.14520	49.4
483.69547	4.7
513.18494	29.0
599.21991	24.5
599.30420	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18628	0.2
51.91116	0.2
52.80104	0.1
57.03303	0.2
59.00092	0.4
59.01243	20.1
59.02517	0.3
68.86758	0.2
71.01240	3.3
71.62942	0.2
73.02806	0.8
78.95731	0.2
81.03332	0.2
83.01228	0.5
83.04854	0.5
83.52188	0.3
85.02802	0.7
87.00740	0.4
87.02545	0.2
89.02303	3.6
91.03859	0.3
95.01234	0.3
101.02304	3.8
102.52970	0.2
113.02307	1.7
114.13209	0.2
119.03371	1.1
131.03374	0.2
133.04874	0.2
143.03404	0.3
150.73058	0.2
161.04460	1.6
163.34927	0.2
177.09111	0.3
179.05531	0.7
189.84288	0.2
205.19553	1.1
235.08261	0.8
253.09285	17.5
259.24307	4.2
285.22177	0.6
303.23306	100.0
304.23605	1.5
564.08344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	20.6
67.56364	0.3
71.01242	3.2
73.02790	0.5
78.95753	0.6
79.90695	0.3
83.01227	0.4
83.04845	0.6
85.02773	0.7
89.02286	3.2
101.02303	4.0
101.67719	0.4
110.53094	0.4
113.02283	1.7
119.03381	0.8
149.62349	0.4
161.04456	1.5
163.20634	0.4
179.05487	0.4
188.94832	0.6
235.08121	0.6
253.09297	12.4
259.24326	1.1
280.56393	0.5
303.23300	100.0
303.37024	0.9
304.23502	1.6
402.68802	0.5
483.84525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07715	0.6
52.54436	0.5
57.03309	1.6
57.61152	1.1
59.01244	27.1
61.77628	0.6
61.97372	1.4
61.98694	100.0
71.01235	4.9
72.73911	0.6
73.02805	6.9
83.01259	1.8
83.04884	1.1
85.02814	1.2
89.02306	3.1
91.73201	1.8
96.95908	0.9
101.02299	7.3
113.02336	2.3
128.03450	0.8
139.37535	0.7
149.04439	0.7
152.36201	0.7
153.09035	0.7
161.04504	2.0
171.10300	0.8
189.99976	0.6
193.06596	0.7
195.68851	0.7
209.11748	3.0
210.12199	1.4
231.13890	2.4
235.08295	0.7
253.09407	0.8
271.17056	2.8
280.58444	0.7
289.18234	2.8
451.23044	1.5
493.24808	2.7
600.29437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00283	1.2
53.94402	1.2
59.01215	1.4
61.98692	100.0
62.00018	1.7
64.51560	1.3
69.19745	1.2
119.84939	1.4
140.13921	1.7
161.13034	1.4
174.68690	1.5
192.97536	1.8
239.52821	1.5
247.14268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00062	1.3
59.00969	2.0
59.01245	30.7
59.02274	1.1
66.74249	1.1
68.03761	1.0
78.95768	15.0
150.18512	1.2
152.99484	3.1
168.04208	3.5
203.17944	2.7
203.27048	1.4
212.59918	1.2
224.06987	1.2
242.07996	8.0
257.22726	14.6
301.21750	100.0
302.22125	3.7
507.22763	1.5
526.29456	45.8
527.29688	2.3
615.12689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	36.2
61.98715	1.4
78.95757	34.4
78.96181	2.2
96.96871	1.1
97.62548	1.2
121.06026	1.0
152.99521	5.0
168.04233	7.5
176.57590	1.3
203.18068	2.7
224.06886	18.4
233.52147	1.0
242.08011	5.7
257.22772	11.1
277.72388	1.2
301.21744	75.2
302.22147	2.1
494.74185	1.3
526.29401	100.0
527.29730	3.7
530.45770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11856	0.3
64.54078	0.3
78.95761	0.8
79.95584	1.9
80.17529	0.3
96.93418	1.6
96.95869	100.0
96.98657	1.0
103.36860	0.3
128.03400	0.9
135.04391	3.1
179.03413	4.7
203.08228	0.6
277.00223	0.3
284.31674	0.4
287.10202	1.4
393.06155	0.3
503.14243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44446	0.3
58.41496	0.3
66.67764	0.3
71.40815	0.3
78.95771	0.8
79.95592	1.7
96.93048	0.7
96.95868	100.0
96.98361	1.5
113.32017	0.3
128.03409	0.9
135.04398	3.1
179.03412	5.2
190.98186	0.3
244.56615	0.4
287.10141	2.4
326.04645	0.4
503.14206	0.8
541.09509	0.4
608.69568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58419	0.1
55.29594	0.1
58.98981	0.1
60.51905	0.1
73.37361	0.1
78.95760	8.5
78.97558	0.2
79.95592	1.6
89.02269	0.1
96.93106	1.0
96.95872	100.0
96.96792	16.8
96.98336	1.5
97.95775	0.1
122.56921	0.2
138.97914	0.4
157.15964	0.2
199.00108	0.3
232.01682	0.2
259.02249	3.4
260.09018	0.2
319.60950	0.1
376.90982	0.2
453.45856	0.2
503.16232	0.3
601.13666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77529	0.1
64.81177	0.2
78.95761	12.5
78.97479	0.3
79.95597	1.7
89.02296	0.2
91.73082	0.3
96.93184	1.2
96.95872	100.0
96.96797	24.8
101.02287	0.2
102.49113	0.2
128.03406	0.2
138.97891	0.2
168.98993	0.3
199.00157	0.5
224.60274	0.2
232.76486	0.2
259.02252	4.7
503.15793	0.4
601.13593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85126	0.2
64.43719	0.3
71.01247	0.4
78.93790	0.5
78.95760	48.6
78.97523	0.7
79.95584	0.7
89.02299	0.7
91.73325	0.3
96.94078	1.1
96.95876	42.0
96.96825	100.0
101.02308	0.4
121.93166	0.3
128.03371	0.2
138.97874	0.6
168.98967	0.5
199.00041	0.5
202.74625	0.3
204.19673	0.3
259.02258	8.2
329.09378	0.3
367.41644	0.3
394.43884	0.3
396.09253	0.3
442.37396	0.3
503.16080	2.5
601.13879	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02069	0.7
72.70285	0.6
73.03087	0.6
74.02328	1.3
75.00723	1.0
76.40448	0.6
78.84090	0.7
82.02856	1.9
84.04404	2.2
96.95879	7.9
99.85928	0.7
109.41270	0.7
113.70358	0.8
127.05041	0.8
128.03412	100.0
129.03766	1.1
130.04839	1.1
130.08617	70.8
135.02885	4.9
135.04395	13.4
141.10254	0.8
153.10141	0.8
155.31853	1.0
171.14998	0.8
179.03412	16.5
179.11812	3.6
197.12897	7.3
215.13773	1.0
223.10863	8.9
241.11951	11.0
259.13007	75.7
260.13351	2.3
297.05930	0.9
341.08649	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98302	3.9
53.50658	4.0
59.01231	18.7
89.22029	4.2
96.99929	4.0
101.02310	5.5
150.81970	4.9
174.39143	4.4
176.48048	5.0
253.09326	15.7
299.19308	4.5
305.24860	100.0
307.47977	5.7
370.89645	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.36
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96262	0.4
58.06281	0.5
59.01243	15.6
66.16776	0.4
71.01236	2.6
73.02803	0.6
73.54098	0.5
77.85735	0.5
85.02781	1.3
89.02288	3.3
101.02283	4.3
103.61633	0.6
106.51890	0.5
113.02327	1.4
119.03362	0.9
143.29684	0.6
161.04404	1.0
235.08246	0.9
253.09271	12.1
264.26724	0.5
287.23950	0.7
305.24872	100.0
306.25198	2.9
468.35913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78262	0.5
56.77322	0.5
57.61718	0.9
59.01231	1.0
61.31590	0.5
61.97276	1.1
61.98691	100.0
61.99943	1.9
67.31219	0.6
67.33064	0.5
84.11022	0.5
87.72153	0.6
152.98840	0.5
303.23315	1.6
304.23746	2.2
305.23984	1.8
417.52795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61230	0.1
57.25896	0.1
59.01245	1.2
61.97270	1.3
61.98692	100.0
61.99961	1.8
62.59481	0.2
63.83685	0.1
71.31585	0.1
88.42589	0.2
89.96093	0.1
90.09863	0.1
112.47728	0.2
112.73656	0.2
114.11560	0.2
136.03421	0.2
253.09552	0.2
255.09944	0.3
273.20404	0.2
298.77948	0.2
303.23224	1.2
304.23575	1.8
305.23941	1.6
306.24329	0.3
439.70261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	18.3
71.01243	0.9
73.98914	0.4
78.95762	8.4
85.13221	0.4
86.81592	0.4
96.95871	0.7
97.07385	0.4
98.15751	0.9
98.16313	0.7
108.39394	0.4
152.99496	1.7
168.04199	2.0
188.94897	0.6
196.44774	0.6
203.12488	0.4
224.06929	1.0
242.08005	4.5
259.24268	2.2
303.23309	100.0
304.23618	2.0
349.24985	0.5
528.31012	34.3
529.31311	1.7
562.30920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99980	0.4
59.01241	26.6
59.02370	0.3
60.30543	0.3
60.67925	0.1
71.01247	0.5
78.93785	0.2
78.95760	9.9
78.97482	0.2
82.95278	0.8
83.04876	0.7
85.02814	0.5
95.93818	0.1
98.15770	0.2
98.16313	0.2
98.37671	0.1
100.94617	0.2
122.98378	0.2
129.61198	0.2
152.99467	2.4
161.85666	0.1
163.07556	0.2
168.02776	0.2
168.04216	3.2
177.09151	0.3
191.10742	0.2
205.19569	1.3
224.06895	1.5
231.21117	0.5
242.05536	0.4
242.07964	5.7
259.24310	5.5
285.22266	0.6
301.21863	0.2
303.23297	100.0
304.23648	2.6
528.30957	35.6
529.31281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60810	0.2
58.66891	0.2
58.99974	0.5
59.01242	40.0
59.02374	0.5
61.98696	0.3
66.30801	0.2
67.81930	0.2
71.01228	0.4
78.93823	0.5
78.95759	37.7
78.97520	0.5
80.96376	0.3
83.04898	0.6
87.00731	2.1
88.00277	0.9
88.03913	0.9
88.98653	0.3
89.02306	1.4
90.69029	0.2
91.73340	0.4
96.96822	0.6
97.06460	0.2
98.15754	0.6
98.16385	0.5
99.31251	0.3
104.97318	0.2
122.98395	1.3
134.98410	0.3
152.99484	6.2
163.07593	0.3
168.04216	6.7
171.00502	0.3
177.09116	0.6
191.10634	0.3
194.05791	0.4
205.19556	1.8
223.97287	0.2
224.06897	18.5
225.07111	0.3
231.21217	0.4
242.07983	5.1
259.24298	6.8
259.26959	0.5
269.58261	0.3
285.22293	0.7
301.21655	0.3
303.08374	0.8
303.23300	100.0
304.23602	1.9
439.22449	0.3
528.30975	98.5
529.31372	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	9.4
61.98686	4.5
70.24130	3.8
73.02828	8.3
75.12431	4.9
75.24423	3.7
77.72437	3.7
91.72794	9.5
99.92436	7.8
100.17505	4.1
110.84208	3.8
116.03387	5.2
116.07011	5.5
116.92729	78.8
116.97119	100.0
117.01817	18.7
126.14442	4.6
137.27644	4.1
368.92654	5.2
521.80127	5.9
596.95386	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53648	1.2
59.01236	3.6
59.59429	1.2
61.98686	2.9
63.96096	1.5
71.01241	7.7
73.02782	2.0
73.88831	1.2
78.98447	4.2
79.95585	9.7
80.96371	58.1
85.02811	2.3
87.00720	3.3
88.51509	1.3
94.97920	12.0
97.02772	1.5
101.02300	3.1
106.97954	2.9
109.90343	1.5
122.97443	4.7
125.02356	3.4
134.97444	3.4
148.99049	5.5
152.98491	7.1
164.98575	12.7
182.99586	4.6
206.99675	4.0
225.00688	13.3
243.01723	2.5
279.23212	4.1
299.04385	2.2
303.23074	1.9
305.24966	2.2
603.28424	100.0
604.28308	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04908	0.4
59.01231	1.8
59.19057	0.5
60.99161	2.5
61.98700	2.7
63.99112	0.9
71.01231	0.6
78.95764	0.8
83.90276	0.5
85.31257	0.5
86.36426	0.5
87.00736	5.1
88.00259	4.3
88.01097	1.0
88.03904	2.6
88.98662	17.9
89.02297	100.0
89.04495	1.6
94.79606	0.5
140.65720	0.6
148.90874	0.8
152.99525	0.7
194.68454	0.5
203.18256	0.5
246.06128	0.6
277.21652	0.7
303.23370	1.6
304.23657	1.7
310.23334	0.6
392.48596	0.6
446.98541	0.8
529.31573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46911	0.4
54.42681	0.4
59.01244	15.4
61.02615	0.5
62.29768	0.5
71.01237	0.6
78.95772	6.0
79.95589	0.6
80.96368	2.3
92.45631	0.6
94.97973	0.6
95.50645	0.5
98.68995	1.1
98.69595	0.7
108.90049	0.6
152.99518	1.2
168.04205	1.0
211.56375	0.5
224.06860	1.2
225.00694	0.7
242.08073	2.4
261.25867	0.6
305.24881	100.0
306.25266	1.5
330.18262	0.6
344.60233	0.6
361.94943	0.6
476.42343	0.6
529.71399	0.6
530.32568	32.3
531.32471	0.9
604.29022	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83756	0.6
59.01242	19.3
61.98694	4.0
65.20111	0.6
67.53321	0.5
69.07780	0.6
74.12634	0.5
78.95760	25.4
80.96374	0.7
91.72727	1.2
96.95860	0.5
98.68977	1.3
98.69604	1.3
152.99516	3.7
168.04176	4.4
198.09450	0.7
224.06917	8.7
242.08043	3.3
305.24869	100.0
306.25195	2.7
425.20950	0.7
438.11496	0.7
441.24670	0.7
530.32556	70.7
531.32880	2.5
545.26764	0.7
604.29022	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43440	1.4
59.01241	15.9
59.66464	1.0
61.98687	1.7
78.95755	6.1
80.96391	3.3
116.22702	1.3
122.74532	1.3
152.99481	2.3
204.06090	1.4
242.07927	2.7
257.04755	1.3
305.24875	100.0
306.25336	4.3
315.05743	1.4
382.50958	1.4
530.32532	28.8
604.28772	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85684	2.2
55.35491	2.2
57.03301	8.6
59.01228	8.5
67.86729	2.4
70.12530	2.3
75.91224	2.7
83.01215	6.0
96.95857	19.0
107.01249	4.8
109.02819	4.0
117.15042	2.5
119.04834	3.6
119.40801	3.3
123.04372	10.0
125.02307	83.7
125.16261	2.6
128.03468	3.0
131.82478	2.9
133.02837	12.7
145.02867	3.1
146.03624	3.3
147.04404	35.5
149.02306	20.9
151.00227	7.9
159.73459	2.7
165.05458	32.6
167.03404	11.9
171.04411	11.5
173.02298	6.6
174.02887	3.0
177.01775	4.3
187.03915	4.7
189.01834	4.5
189.05487	71.0
190.02681	5.7
191.03375	18.2
193.01332	69.0
193.03038	4.8
194.01657	2.8
198.03154	3.8
206.74374	3.3
207.06570	8.9
213.05458	15.5
214.02718	7.5
215.03416	61.2
217.01428	24.3
231.06573	15.3
233.04526	100.0
234.04759	3.0
242.02248	3.0
257.04532	74.2
259.02487	9.9
261.04196	3.3
275.05627	18.9
283.02521	8.6
299.05435	5.5
301.03555	61.8
323.79556	3.5
325.03629	7.6
343.04559	6.7
393.06348	4.0
411.07211	21.1
427.06702	71.9
449.00125	3.1
453.08267	3.6
461.04935	13.7
479.06210	30.5
495.05463	17.9
510.34616	3.6
555.31299	4.6
605.09296	35.5
630.55835	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31113	0.4
59.01225	0.8
68.50204	0.3
71.01234	0.7
75.00741	0.7
90.72764	0.6
93.03317	0.6
101.02323	0.3
113.02325	0.4
116.79028	0.3
119.01132	0.9
119.04892	100.0
119.08168	1.4
120.05265	0.5
127.37078	0.3
128.40434	0.3
133.58258	0.3
135.02849	2.2
149.94070	0.3
150.44406	0.3
163.03906	70.0
163.09230	0.8
164.04182	0.7
168.09770	0.3
174.07350	0.4
191.56621	0.3
193.12019	0.3
219.62772	0.4
277.12915	0.4
281.06699	0.4
360.63611	0.4
433.00821	0.4
465.59760	0.4
487.14600	30.9
488.14917	0.8
488.22128	0.4
605.17285	18.0
606.17719	0.7
629.28363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31115	0.3
59.01250	2.5
71.01237	2.9
73.02827	0.4
74.89182	0.3
75.00744	0.9
80.59558	0.3
80.93417	0.2
85.02813	1.4
87.00740	0.5
89.02311	2.0
90.72749	0.5
93.03321	0.8
96.95870	0.4
97.02844	0.4
99.00737	0.8
101.02298	1.0
113.02329	2.2
117.03326	0.4
119.04895	100.0
119.08386	1.2
120.05225	0.9
125.02365	0.3
127.25947	0.3
128.03465	0.4
135.02895	2.0
141.07123	0.3
143.03381	1.0
161.04451	0.8
161.05899	0.4
163.03911	72.9
163.09492	0.8
164.04198	0.9
179.05557	0.6
180.48849	0.3
221.06535	0.5
244.80040	0.3
323.09802	3.6
487.14587	20.1
488.14841	0.5
605.17303	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	27.5
59.26110	3.1
60.92494	2.8
71.01257	3.8
83.01237	4.9
83.04873	2.9
84.15852	2.9
85.84465	3.4
89.02316	7.6
90.55952	3.0
101.02299	9.3
113.02307	5.2
122.20705	3.3
123.04351	5.1
125.09566	7.6
128.14667	3.1
134.44070	3.0
139.11160	3.6
148.13872	3.0
151.11177	6.1
161.04362	3.3
165.12759	11.7
167.10631	3.9
181.12248	3.7
191.10977	3.3
208.20724	3.4
209.11775	39.3
217.84325	3.8
247.20717	7.5
253.09308	31.0
260.67419	3.3
265.21793	7.6
291.19666	71.5
291.22684	5.0
309.20746	100.0
388.47565	3.7
394.25482	4.0
445.21152	4.8
487.02835	3.3
544.01007	4.2
544.10968	5.0
545.29340	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89920	2.8
57.80698	2.7
58.99988	2.9
59.01245	35.1
71.01250	9.2
78.95766	13.2
83.01240	5.2
89.02303	7.7
98.97910	4.3
101.02314	11.3
113.02316	3.9
113.23455	3.1
124.77425	3.6
125.09538	4.4
139.11223	5.6
151.11235	3.6
165.12793	7.6
181.12248	5.9
209.11784	39.9
232.26781	3.3
247.20667	12.1
253.09265	32.6
265.21741	10.4
291.19672	56.7
309.20734	100.0
309.24103	6.5
435.21176	4.0
445.20801	8.4
447.13678	26.7
491.42178	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	18.5
60.09094	1.1
66.67550	1.1
68.91741	1.1
69.66142	1.1
71.54567	1.1
78.95761	19.6
95.73882	1.3
105.66300	1.2
130.49380	1.3
139.06667	1.3
152.99460	3.1
168.04224	4.3
189.26736	1.4
205.39984	1.4
224.06883	8.5
228.21945	1.3
242.08090	2.1
307.26443	100.0
484.95480	1.5
489.98697	1.4
532.34125	70.6
611.65009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79863	0.8
56.24284	0.9
56.26392	0.8
59.00060	0.8
59.01240	40.9
71.01237	26.7
71.01637	0.9
75.13531	0.7
76.15623	1.0
77.70822	0.8
78.95759	4.5
85.02810	5.9
88.36709	0.8
89.02296	38.8
95.01250	1.5
96.95858	1.7
100.58914	0.8
101.02306	20.5
106.18925	0.8
111.85275	0.9
112.61191	0.8
113.02301	13.0
118.97948	1.4
119.03364	14.9
119.42234	0.8
128.03365	1.2
131.03308	1.4
135.02942	1.2
143.03394	2.4
149.04495	1.6
151.12985	0.8
158.92447	2.2
161.04453	2.2
172.10747	0.9
179.05467	4.7
185.18713	1.0
194.96892	0.9
201.79146	0.8
265.09302	100.0
266.09714	1.7
275.92270	0.8
341.10910	12.0
503.16040	1.0
603.29840	1.1
607.07697	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99966	1.1
59.01242	79.1
59.02378	1.4
62.43152	0.5
71.01237	5.1
73.02801	3.0
80.04901	1.9
83.01247	2.0
85.02808	3.2
88.86367	0.7
89.02293	1.0
94.06464	2.3
96.08056	0.6
97.06443	0.9
99.00720	0.9
101.02303	10.1
113.02303	3.4
120.01174	0.7
128.03343	1.2
130.08614	29.5
140.07054	32.0
142.08560	1.1
159.02919	0.9
161.04427	1.9
182.15393	2.1
198.14879	4.8
207.30957	2.1
211.18076	1.9
226.14462	9.8
227.21227	1.1
235.11841	17.9
255.17250	0.7
271.20285	100.0
277.12918	6.0
321.15686	1.4
321.19400	8.6
376.74307	0.7
488.08832	0.7
562.14917	0.7
621.73132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	34.6
61.98690	7.9
69.03333	2.3
78.95765	19.2
83.01247	6.9
83.04875	2.7
97.06475	4.6
122.98411	3.5
125.09580	8.5
139.11165	4.5
151.11288	2.9
152.99487	3.2
163.11198	6.2
165.12735	14.4
167.10791	2.5
168.04262	7.8
168.57584	2.2
181.12277	6.5
191.10753	6.4
193.16061	2.6
209.11774	51.0
224.06892	2.7
227.05899	2.2
242.08002	10.3
247.20615	13.2
258.38391	2.8
262.21362	2.3
265.21707	3.5
273.18646	5.0
276.66995	2.4
291.19678	49.6
309.20749	58.4
309.24142	4.6
323.22244	12.6
466.95609	2.6
534.28412	100.0
535.28577	4.7
548.29944	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00967	0.5
59.01239	5.5
62.50505	0.3
66.54076	0.2
71.01234	1.0
73.02801	0.6
75.50890	0.3
78.95747	0.6
79.95593	2.1
83.01211	0.3
85.02792	0.3
89.02318	0.4
94.88003	0.2
96.93214	1.3
96.95868	100.0
96.98176	1.0
101.02287	0.6
113.02301	0.3
114.93281	0.5
118.96488	0.7
128.03407	0.3
132.98058	0.3
133.32443	0.3
137.09561	0.4
156.98048	0.4
160.97678	0.4
170.99640	0.3
198.99098	0.3
217.00224	0.3
237.04497	0.4
361.13168	0.4
475.16513	0.5
481.17514	0.7
505.17798	1.7
523.18591	5.7
565.19464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00069	1.3
59.01241	69.7
59.02559	1.1
62.95905	1.0
65.51983	0.9
69.03296	1.0
71.01240	21.1
72.99143	1.2
73.01174	1.0
73.02804	58.2
78.95739	0.9
81.37402	0.8
82.64518	0.9
82.70303	0.8
83.01246	15.1
85.00775	1.3
85.02803	100.0
89.02296	7.7
95.01260	1.2
96.95892	2.2
99.00707	0.9
101.02301	50.7
103.03862	6.8
113.02303	13.6
119.03374	4.4
122.05994	2.4
125.02312	1.7
128.03389	1.6
131.03368	5.2
134.00287	1.0
143.03403	4.7
149.04442	11.9
153.09090	1.8
155.03368	1.4
161.04459	17.6
164.67986	0.9
171.06541	14.4
185.58195	0.9
203.05525	1.5
209.92389	1.4
221.06589	8.3
227.33577	1.1
295.06015	1.1
307.10358	48.2
308.10651	1.2
330.65268	1.3
335.23743	1.1
393.14136	8.5
479.17740	3.4
492.22540	1.2
609.22363	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1449
Annotation	Glutathione disulfide
Peak:m/z	Relative Intensity
50.46354	1.0
51.81301	0.7
58.02839	5.8
58.99453	0.6
61.80848	0.9
66.03350	0.9
69.03343	1.5
71.01239	1.2
72.00774	1.2
74.02325	15.7
78.95784	2.6
79.01743	0.7
80.91920	0.8
81.04443	0.9
82.02869	2.3
82.47443	0.7
84.04413	2.8
85.16716	0.7
86.02321	6.9
86.05993	1.7
86.77988	1.0
86.98939	0.9
87.05504	4.1
90.00038	0.9
92.68282	0.7
96.04413	5.4
96.95911	2.3
96.96855	0.8
97.03963	3.3
98.06010	0.9
99.05504	16.8
99.06113	1.2
100.00305	1.7
101.02338	1.1
101.07062	4.2
102.00129	1.1
102.05502	1.6
105.01894	0.7
105.99573	1.1
106.97965	1.6
107.06019	1.2
109.03989	1.5
112.03948	2.6
116.01628	1.7
123.05536	1.8
124.04018	0.9
125.03486	2.2
127.04975	4.9
128.03409	51.0
128.07187	1.0
135.05511	4.1
137.03500	1.2
137.07149	1.0
141.06650	3.7
143.04509	62.7
145.06123	3.2
146.04483	4.4
151.63362	0.8
153.06618	4.8
160.00632	14.3
160.01814	1.0
166.09851	2.2
167.04608	3.1
167.08212	1.6
169.06149	2.6
175.01833	2.3
177.03236	5.0
179.04517	14.0
181.06242	1.4
181.09785	1.2
185.05621	1.8
192.07697	1.3
194.41948	0.9
197.05698	2.4
202.48723	1.0
207.07643	4.6
210.08765	11.2
225.08780	30.5
228.09892	1.2
242.07938	2.0
254.07819	14.7
256.57187	1.0
269.05334	1.3
269.07840	6.7
272.08905	34.9
288.06616	5.5
304.06097	12.4
306.07672	100.0
307.07883	2.0
337.07806	1.2
338.04843	11.3
396.80298	1.0
482.10397	1.3
502.37790	1.0
517.96509	1.0
590.11371	1.0
593.13715	2.1
611.14563	18.1
612.14679	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81623	0.2
52.07256	0.2
72.99171	0.4
78.95763	4.0
79.95190	0.3
79.95592	2.1
85.18369	0.3
89.64685	0.2
94.68506	0.3
96.95870	100.0
96.96762	6.6
96.98348	1.5
125.32810	0.3
180.26843	0.3
277.22055	0.6
309.95978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44255	1.4
55.54450	1.5
58.47789	1.4
59.01234	3.4
61.98682	1.6
63.48201	1.6
83.86275	1.5
84.57297	1.5
96.04433	2.3
96.95883	2.0
101.02308	1.7
102.04864	3.3
102.05466	24.7
104.32008	1.5
106.93024	1.7
108.04446	4.0
109.48558	1.4
120.54523	1.6
122.05959	3.2
124.03909	4.5
124.07551	4.1
126.05495	3.4
128.03404	38.5
128.77330	1.5
146.04469	13.4
146.05968	9.7
150.05476	8.9
179.05809	2.8
196.04947	1.8
200.10782	4.2
209.91603	1.8
211.08675	2.9
227.08295	3.9
239.08154	3.9
240.09183	3.4
241.09792	2.9
243.11423	6.4
253.09767	4.2
254.10709	8.0
255.11453	15.6
267.11316	2.0
269.12906	3.4
270.46741	1.9
271.14554	8.1
277.51910	2.0
278.09189	2.6
286.09470	12.8
297.12424	19.2
315.13535	3.3
319.14539	2.3
334.11987	7.1
340.16785	2.5
362.15091	5.9
378.18109	4.1
380.16281	2.1
404.16245	27.0
405.14740	6.4
422.17139	25.4
426.16376	2.6
440.18146	13.8
444.17883	4.6
507.22058	3.2
525.23846	2.5
533.20038	2.2
551.21472	31.5
552.20074	8.2
569.22552	100.0
570.22894	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14008	0.4
66.78947	0.4
76.10957	0.9
83.68251	0.5
112.21384	0.5
114.82722	0.5
135.04611	0.5
136.66663	0.5
166.04892	0.5
175.11536	0.8
177.69713	0.5
217.07179	0.7
233.10397	0.8
275.15067	16.8
276.05679	0.5
279.23300	100.0
280.23584	1.9
333.22882	20.6
334.23407	0.6
553.16974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.277
Annotation	Unknow
Peak:m/z	Relative Intensity
73.08006	0.2
74.45909	0.2
78.95766	1.3
79.95599	1.8
80.45624	0.2
91.72667	0.5
96.93060	0.8
96.95867	100.0
96.96875	2.5
96.98341	1.5
104.37557	0.2
106.60173	0.2
143.31136	0.2
147.62363	0.2
173.04343	0.2
203.69423	0.2
282.39368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88369	0.3
64.99390	0.3
65.34347	0.2
67.51636	0.2
74.52155	0.3
78.95750	1.2
79.95583	2.1
88.55966	0.2
91.72720	0.4
94.51789	0.3
96.92047	0.6
96.93222	1.3
96.95864	100.0
96.98145	1.1
122.66835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.246
Annotation	3-Vinylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
55.28393	1.2
59.01234	5.3
96.95839	1.8
105.34019	1.5
113.02285	2.0
129.10667	1.8
134.06032	2.1
136.07574	7.4
141.01558	7.4
161.07071	2.1
185.07068	2.6
187.08739	4.4
189.10239	3.7
199.08670	10.0
200.09514	4.7
213.06648	16.5
213.10283	5.9
215.08398	10.1
215.11836	38.3
217.00278	3.8
223.08719	3.4
226.07384	3.2
231.07764	2.6
239.08224	5.7
241.09801	100.0
242.10313	3.1
259.10941	11.3
267.07767	6.7
268.08646	9.7
269.09262	3.0
285.08813	32.0
303.09738	8.1
374.99246	1.8
388.16800	3.3
416.16318	3.5
434.17194	70.8
435.16632	2.4
452.18295	79.4
453.18729	4.4
529.23975	4.3
555.22620	2.9
615.24597	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48933	0.7
52.32209	0.6
55.01751	0.8
72.99157	1.1
74.98968	1.7
75.00731	100.0
91.72713	0.8
92.14030	0.8
96.95872	5.5
98.02289	0.8
98.95445	3.9
99.00739	5.0
111.13498	0.9
122.14513	0.7
128.78920	0.9
133.01381	0.7
144.66464	0.7
146.00558	0.7
175.37178	0.7
235.43242	0.9
287.65012	0.7
522.75903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76170	0.2
54.24525	0.2
72.99181	0.4
75.81321	0.3
78.95753	0.9
79.95602	2.1
96.93604	1.2
96.95871	100.0
96.98506	1.2
99.20072	0.3
113.55666	0.3
158.72302	0.2
237.11786	0.3
256.38885	0.3
293.22754	0.3
324.84653	0.3
363.46646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04893	0.4
57.00298	0.4
57.61937	0.7
59.00041	0.6
59.01240	29.5
59.56872	0.4
61.97387	1.6
61.98691	100.0
62.00166	0.9
65.19190	0.7
71.01231	2.1
73.02819	0.6
85.02817	0.8
101.02322	1.2
104.63605	0.4
109.87348	0.4
113.02348	1.2
140.73595	0.5
148.03899	1.0
150.05492	1.0
161.04515	1.8
174.04201	0.8
189.06625	0.6
190.07341	1.1
231.07724	0.5
232.08455	1.9
244.08415	0.6
280.93890	0.5
286.09790	0.5
310.39517	0.5
358.41519	0.5
364.10684	0.5
371.51190	0.6
382.17767	1.5
431.24643	0.5
436.18680	0.7
454.19885	4.0
467.16953	0.5
467.30109	3.6
509.31201	3.3
553.29474	0.8
617.26196	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16263	1.0
61.98694	100.0
69.75028	1.0
74.35460	1.2
79.66480	1.1
91.72753	2.3
94.59305	1.2
109.37926	1.3
150.74666	1.1
157.08165	1.3
190.91896	1.3
197.11783	3.0
232.16719	1.3
255.23294	3.7
369.79703	1.4
553.37079	7.1
626.32678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.6
75.00732	20.4
87.00789	1.4
89.02303	3.3
95.82435	1.5
108.02046	1.3
117.01788	2.5
133.02849	5.5
134.03610	19.5
135.02870	97.4
135.04410	33.7
145.87355	1.2
147.04379	2.9
161.02362	7.5
163.00009	3.1
176.60596	1.3
179.03407	32.6
189.01633	20.7
192.04211	3.6
201.01625	72.0
202.02084	1.6
215.03198	15.3
243.02794	3.0
259.02274	2.6
270.50000	1.5
293.05011	2.7
297.06122	16.6
319.04358	100.0
320.04712	2.2
325.34976	1.3
364.31189	1.5
455.02081	2.2
455.08142	7.6
582.39307	1.7
617.10919	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21817	1.0
52.70229	1.0
59.01247	12.7
61.79411	1.0
82.02829	6.6
82.79444	1.1
108.04414	2.2
120.04427	2.9
120.28824	1.2
122.05941	1.5
127.08912	1.2
128.03455	1.5
129.05502	2.1
136.07544	3.1
139.37656	1.6
147.03152	2.8
148.03928	21.2
149.04694	11.7
150.05490	26.6
150.06583	2.4
150.09164	4.9
154.04993	4.2
158.06085	1.7
160.03958	3.1
161.04747	7.4
162.05450	2.9
163.02660	3.6
164.03444	8.4
173.03462	9.9
173.04681	1.4
174.04236	31.1
174.05534	2.1
175.05025	8.4
175.06332	5.6
187.06339	3.2
188.07057	2.1
189.06590	14.9
190.07396	40.5
191.08153	3.7
200.07202	4.1
201.07892	3.9
202.07100	6.1
202.08850	3.6
203.05841	2.1
203.08168	2.3
213.06656	1.7
213.10150	3.0
214.10913	2.8
216.06721	1.9
217.07648	2.4
217.09752	3.1
228.06741	3.2
230.10651	2.0
231.07684	16.8
232.08493	52.2
233.09171	7.1
241.09631	2.5
242.08144	3.5
242.10550	3.3
243.07727	2.9
244.08315	17.2
245.06943	1.8
245.09344	4.4
246.07883	1.4
262.09601	2.0
267.07690	2.0
268.08569	2.4
285.08859	4.5
286.09729	8.6
287.10422	1.9
289.09540	3.0
299.13965	13.4
303.09988	3.8
304.10709	4.1
324.13675	7.6
325.12180	2.3
337.10776	1.6
353.15317	2.0
382.17761	37.6
393.18375	2.4
394.17706	6.5
395.15710	2.5
412.18701	4.4
418.17792	2.4
436.18774	23.1
437.17130	8.5
449.16052	1.9
454.19858	100.0
455.20197	3.0
467.16934	9.1
545.24084	2.5
575.24640	2.3
599.25183	7.1
617.26093	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11450	0.9
71.91732	0.9
74.02316	1.0
82.02831	3.0
84.04389	1.6
127.04982	1.6
128.03406	100.0
129.03801	1.6
129.44971	0.9
130.08609	68.0
141.10172	1.9
147.55733	1.2
177.53896	1.2
179.11821	2.9
197.12927	11.5
201.42532	1.0
223.10806	8.6
241.11893	21.9
259.12994	73.1
260.13492	2.1
403.82944	1.1
469.35168	1.3
617.23596	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	12.3
71.01239	16.1
71.70428	2.1
72.07256	2.4
72.99183	2.3
73.02808	2.8
75.00729	2.4
75.55280	2.0
87.00728	38.9
94.13486	2.3
99.00707	2.2
102.05449	17.4
105.06467	2.3
115.00243	59.7
116.37872	2.6
127.00236	8.3
128.03412	59.2
136.91280	2.4
139.00217	4.4
146.04498	20.5
154.46140	2.4
168.99185	2.5
174.01750	2.9
174.05502	2.9
175.02390	84.5
176.09737	2.8
226.07487	2.9
226.12408	11.5
227.11981	3.8
232.86945	2.7
240.08945	3.6
241.09688	3.5
251.08257	3.5
252.10440	3.1
253.09755	14.7
254.10330	5.0
254.59132	3.0
267.11432	14.4
269.12952	27.2
271.20346	10.2
277.09863	3.6
280.08453	2.8
295.10889	55.2
297.12442	3.1
299.14130	4.0
313.11844	12.4
325.11908	3.3
343.13123	5.3
353.11243	3.3
371.12500	8.9
398.17313	5.9
442.16211	100.0
443.17041	3.7
500.16611	18.2
558.17365	3.8
570.17432	6.9
582.17432	8.6
618.19751	5.9
632.36072	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98925	1.2
57.03318	3.0
59.01241	94.3
59.02472	1.6
61.98688	4.7
66.17502	1.2
71.01244	11.7
73.02795	3.5
74.96327	1.1
79.05376	1.6
80.91541	2.9
84.31131	1.2
85.02812	5.2
89.02299	7.5
91.72757	1.9
96.95872	3.5
101.02311	9.7
109.02818	2.2
113.02318	6.2
119.03326	3.2
125.02319	2.2
141.01575	100.0
150.05582	2.0
152.17163	1.3
153.01587	3.7
161.04550	2.2
169.83345	1.5
171.02632	1.6
174.04022	1.6
190.07391	1.7
201.03802	3.8
231.14082	2.2
232.08417	2.4
235.72356	1.4
263.98578	1.5
270.49023	1.6
271.17065	1.6
353.29416	1.6
378.10172	2.0
451.23703	7.6
455.19794	2.8
456.20285	2.7
473.21500	9.7
473.29086	1.7
523.11633	1.9
533.22900	12.7
619.27771	2.7
630.25708	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.2
57.35277	2.0
59.01240	98.5
71.01236	13.7
72.60715	2.2
73.02776	5.6
80.91522	2.6
85.02812	3.6
87.00700	2.3
89.02283	10.1
93.03678	2.1
96.95846	2.8
97.18112	2.4
100.47330	2.2
101.02313	8.1
113.02328	5.5
119.03365	4.2
141.01575	100.0
148.03938	3.0
159.81770	2.4
161.04500	4.3
174.04257	4.0
190.07330	3.1
232.08516	4.6
271.17026	5.1
304.09204	2.6
347.97220	2.8
367.32397	3.3
451.23325	16.8
454.20288	4.6
473.20874	18.1
505.85638	2.6
533.22888	6.1
619.27319	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2892
Annotation	CHEMBL3745966
Peak:m/z	Relative Intensity
59.01244	6.3
68.26597	1.0
71.95552	0.7
72.99146	1.5
75.00715	2.6
77.16193	0.8
78.95760	62.2
78.97460	0.9
87.16293	0.8
87.98842	0.8
96.96820	11.4
103.00285	0.8
103.03883	1.6
105.01793	34.2
106.27508	0.8
146.23390	1.1
150.97862	1.7
152.99472	92.2
171.00558	2.5
176.27505	0.8
191.01039	1.1
205.19537	1.1
223.00078	9.6
241.01158	26.5
259.02264	1.2
259.24371	1.9
303.23288	36.4
315.04932	18.0
333.05762	1.8
604.76593	1.9
619.28943	100.0
620.28583	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26966	0.8
54.31319	0.9
59.01245	17.1
71.01226	8.9
75.00731	16.3
85.02798	1.9
89.02288	15.1
96.95871	1.0
98.23404	1.0
101.02288	7.2
103.47864	1.0
113.02295	4.1
116.92735	10.8
117.01748	1.5
119.03372	4.6
123.60738	1.2
133.02844	3.4
134.98421	1.4
135.02870	100.0
135.04453	4.6
161.02298	5.3
179.03429	4.4
189.05960	1.1
204.41884	1.0
284.42349	1.3
297.06088	11.7
323.13495	42.2
324.13721	1.8
349.60205	1.2
459.13467	5.2
636.35547	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
61.12149	1.5
66.88319	1.3
69.03262	1.5
70.02309	1.5
70.08678	1.5
71.01233	27.3
73.02799	16.2
83.01247	7.7
85.02814	11.9
89.02297	13.0
95.01241	2.8
96.95879	5.5
99.00736	2.4
101.02303	22.6
113.02299	13.0
119.03364	6.2
128.03418	3.6
143.03432	1.9
148.61548	1.8
161.04454	5.8
194.37593	1.7
224.27855	1.8
225.36887	1.9
245.07962	10.5
276.50485	2.6
473.25528	6.1
491.26395	11.9
517.24316	5.4
533.27490	3.8
535.25146	4.9
577.26349	48.4
619.14520	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.2
59.01242	100.0
64.59897	2.1
71.01237	27.9
73.02798	15.1
78.95770	2.1
83.01242	7.5
85.02801	12.6
87.00768	3.0
89.02293	11.0
95.01236	2.8
96.39439	1.9
99.00746	2.4
101.02306	30.2
113.02303	12.1
118.46253	2.1
119.03358	6.4
137.41974	2.2
161.04457	7.6
207.83763	2.1
209.11777	3.8
233.01448	2.8
247.81371	2.1
307.19180	5.9
325.20218	5.4
326.73254	2.5
381.20212	2.8
515.62677	2.8
543.28058	6.7
577.26465	45.5
614.31702	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04780	0.6
59.01229	2.5
71.01246	1.2
73.02812	1.1
74.29149	1.1
85.02811	0.9
86.83296	0.6
88.57706	0.7
96.95848	1.6
101.02323	1.5
102.05444	1.4
107.03644	1.5
113.02246	1.0
122.05988	6.3
128.03380	2.7
134.05975	4.3
136.07559	5.7
147.09123	0.9
149.10719	3.5
152.07060	14.2
157.07613	1.6
162.05501	1.8
162.09132	0.8
164.07027	0.8
173.07153	4.7
174.08012	1.2
175.08676	15.1
187.12311	1.5
189.06602	1.1
190.08684	1.5
190.11159	1.3
201.10318	1.5
203.11824	1.2
205.13408	26.7
213.10294	2.5
216.08987	0.8
220.09740	0.9
229.09724	3.8
231.11357	100.0
232.11710	1.5
243.11357	2.7
343.64096	0.8
368.19797	1.2
370.21487	1.4
396.19308	81.5
397.19437	2.3
414.14865	1.3
414.20386	25.2
420.70078	0.8
440.18176	0.9
577.26495	9.4
590.23743	0.7
620.32715	1.2
621.33356	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50366	1.0
53.77831	1.2
55.78144	1.1
57.03307	1.6
59.01238	42.5
61.84776	1.4
71.01234	19.9
71.44312	1.6
72.00770	7.4
73.02786	8.6
74.01942	2.3
74.02322	23.5
83.01239	4.5
84.43501	1.4
85.02792	7.4
88.86710	1.3
89.02297	15.1
90.76712	1.8
96.95853	4.1
99.61148	1.4
100.00259	3.2
101.02301	16.5
102.05518	1.5
104.03392	72.9
113.02314	8.0
114.11293	1.5
116.71026	1.4
119.03371	4.2
128.03409	2.5
149.04459	2.0
154.58467	1.5
222.77122	2.0
297.51563	1.7
297.72125	1.6
311.20453	1.8
357.44629	1.6
365.13565	1.7
372.74408	1.7
433.11365	1.9
578.32275	3.5
592.27362	8.5
600.05316	1.8
617.14130	1.7
622.28662	100.0
623.28687	6.7
634.90662	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77352	0.8
60.20160	0.9
72.96132	0.9
73.02781	1.0
75.00722	3.2
76.24266	0.8
87.00701	1.7
90.56339	1.0
96.95863	1.5
108.10597	1.0
113.07536	1.1
117.01791	3.1
119.04889	14.4
134.03610	2.6
134.53102	0.9
135.02898	13.3
135.04393	68.7
142.75021	1.0
163.03908	33.6
164.04453	1.0
179.03412	100.0
180.03738	1.1
210.87067	1.2
281.06686	6.3
294.24835	1.0
314.64880	1.0
341.08780	55.3
342.09488	1.5
457.96759	1.0
566.57343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51011	0.9
58.37386	0.9
59.01241	13.3
70.22742	0.9
71.01239	13.0
73.02801	2.8
77.45944	1.0
85.02815	3.0
86.65345	1.0
87.00746	3.1
89.02299	19.9
93.03314	98.7
95.03819	1.0
96.95909	1.4
97.02824	1.6
99.00759	3.0
101.02296	12.3
111.98658	1.0
113.02305	7.6
116.07034	1.7
119.03361	8.8
122.03610	2.4
125.02341	3.5
128.03413	6.8
129.47301	1.2
129.64809	1.0
137.02322	100.0
137.61241	1.1
143.03427	2.4
149.04420	1.1
161.04485	3.2
179.05510	22.7
220.47580	1.1
221.06595	14.3
245.11627	1.3
281.08963	2.1
383.12161	2.3
407.11816	6.7
425.12860	1.2
460.14319	1.3
461.14212	1.8
473.14972	1.4
485.15106	13.3
543.19891	1.4
544.70929	1.5
623.18188	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33733	0.4
59.01218	0.4
63.52515	0.3
65.86253	0.4
79.95590	1.9
96.93394	1.5
96.95868	100.0
107.74702	0.5
119.04888	7.9
124.02157	0.5
133.91023	0.5
134.07942	0.4
135.02872	0.6
135.93298	0.4
158.99702	0.5
160.97630	0.5
163.03908	11.0
193.01726	1.2
206.56644	0.5
218.99744	2.6
221.01077	0.5
232.99760	1.5
235.02878	1.4
237.00887	0.6
261.00882	4.8
334.30862	0.5
363.04166	0.6
367.10272	2.4
379.03473	4.8
469.08047	0.5
485.13315	2.4
523.07788	1.0
651.73419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.088
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15220	0.2
73.02818	0.5
78.38292	0.2
79.95585	2.3
81.35116	0.3
83.77989	0.3
87.00758	0.4
96.22779	0.3
96.93295	1.3
96.95868	100.0
107.77959	0.3
114.93292	0.4
117.01804	1.2
118.96505	0.4
119.04881	5.1
135.02875	0.6
145.02870	1.0
158.99632	0.7
163.03911	7.7
190.98657	0.3
193.01773	1.0
197.36906	0.3
212.93715	0.4
218.99744	1.5
232.99638	1.5
235.02867	1.6
237.00720	0.4
261.00775	2.5
273.00879	0.4
337.70825	0.3
345.02975	0.5
363.03925	0.4
367.10355	1.1
379.03485	3.5
443.11646	0.4
485.13095	5.1
523.07788	0.8
541.09222	0.4
590.05957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	100.0
59.02445	1.9
65.06997	1.2
68.22211	1.3
71.16486	1.4
75.98721	1.4
78.45267	1.4
94.91157	1.5
121.18541	1.3
127.74130	1.4
130.73199	1.6
131.33356	1.4
133.80281	1.3
141.01576	70.1
244.94472	1.8
275.06241	4.8
331.18860	1.7
658.69141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00085	0.4
59.01244	21.1
59.02545	0.3
71.01244	4.8
73.02805	2.9
81.03310	0.3
83.01229	0.8
84.58437	0.1
85.02815	1.6
86.52579	0.1
91.72722	0.2
93.03324	0.5
95.01218	0.2
96.95901	0.3
99.00754	0.5
101.02314	2.4
106.04107	2.1
107.02039	1.5
107.04889	100.0
107.08126	0.9
108.02035	0.4
108.05231	0.8
113.02319	1.2
119.04909	0.4
121.02805	0.2
121.06533	0.2
123.04411	0.5
125.02320	0.2
130.08615	15.1
130.12811	0.2
133.06479	0.2
140.07074	0.2
143.03386	0.3
149.05998	0.4
150.99202	0.3
151.03900	19.6
152.04321	0.3
152.46553	0.1
159.02946	0.2
161.04463	1.5
161.05997	1.0
168.13750	0.2
191.07069	0.3
197.16568	1.2
203.05556	2.9
203.07408	0.2
209.85561	0.1
212.12842	1.0
212.55443	0.2
213.19722	1.2
230.13966	0.3
257.08325	0.5
257.18707	56.9
258.18954	0.9
311.11398	0.6
355.10416	2.5
465.88583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48866	1.0
57.44636	1.1
59.00081	2.0
59.01242	100.0
59.02511	1.6
59.42105	1.2
72.08363	1.2
74.99237	1.6
75.75866	1.3
105.73524	1.3
118.29868	1.4
141.00458	3.2
141.01572	67.2
251.20163	3.0
275.06329	2.4
365.18069	3.5
501.73026	2.0
509.26324	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	6.9
69.38710	0.9
83.04887	1.8
129.86658	1.2
174.39403	1.2
205.19623	1.4
259.24261	8.2
303.23318	100.0
304.23727	4.0
320.66974	1.2
629.45673	65.1
630.45850	4.7
634.48682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82765	0.3
51.89333	0.2
59.00076	1.2
59.01242	67.8
59.02269	0.7
59.02594	0.5
60.01570	0.3
62.87141	0.2
80.21553	0.3
97.06435	0.3
104.83019	0.3
119.04950	0.3
120.01122	0.4
124.57807	0.3
130.08611	27.4
140.07066	4.7
152.99950	0.3
157.85628	0.3
163.03912	0.5
178.12164	0.3
182.15428	1.0
198.14957	1.9
207.31006	1.1
211.18068	1.8
226.14415	1.2
227.21246	1.6
244.15558	2.7
271.20288	100.0
272.20633	2.1
345.24002	5.9
369.90649	0.6
516.94574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53646	0.4
53.20291	0.3
59.01240	10.0
61.67868	0.3
71.01238	6.6
72.99165	1.6
73.02795	2.9
73.57861	0.3
75.00729	18.8
83.23901	0.3
85.02805	13.6
87.00727	5.2
89.02295	14.7
93.03355	0.5
99.00748	0.4
101.02296	4.4
103.03886	2.2
113.02320	2.7
117.01796	7.3
117.03268	0.5
119.03389	4.0
119.04889	45.9
120.05265	0.8
135.02866	92.9
143.03355	0.7
145.02818	1.8
146.87929	0.5
161.04460	1.4
162.98274	0.8
163.03902	100.0
163.09015	1.1
164.04240	1.6
168.93922	0.5
171.06602	1.9
179.05536	6.6
189.08075	0.4
197.54868	0.5
265.09320	8.2
281.06674	20.6
282.07062	0.8
351.12994	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2569
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
59.01245	1.6
61.09745	0.5
61.27202	0.7
61.47023	0.7
63.84740	0.6
65.99705	0.9
67.27612	0.5
67.27972	0.6
73.20834	0.6
80.06373	0.7
82.02828	5.4
96.04411	1.4
108.04427	1.4
110.05949	0.7
112.03915	2.8
117.96355	0.7
120.04424	5.3
121.68156	0.7
122.05983	1.5
124.03939	0.9
128.95210	0.6
129.05434	1.5
134.06032	0.9
135.03127	0.8
136.07541	4.5
138.05432	1.1
139.02698	1.0
145.97855	0.7
146.06049	0.7
147.03127	2.5
148.03922	28.6
149.04695	10.0
149.08177	0.7
150.05495	31.4
154.05009	3.4
160.03963	3.4
161.04707	10.7
161.07051	0.7
162.05516	3.8
163.02686	2.6
164.03444	7.9
166.08635	2.8
172.07530	1.0
173.03465	13.7
173.04735	1.6
174.04242	32.2
174.05525	3.2
175.05035	11.0
175.06351	5.3
176.05794	1.6
177.06544	1.4
186.05551	2.4
187.06277	3.9
188.07114	2.4
189.06602	18.3
189.10266	0.9
190.07388	37.3
191.05836	1.4
191.08153	3.5
192.03012	1.3
199.07547	0.8
200.07028	4.2
201.07912	5.5
202.07141	5.9
202.08775	2.4
203.06047	1.3
203.08194	2.2
213.06682	1.3
213.10289	1.8
214.11063	3.7
215.08179	6.3
216.06799	1.5
217.07378	3.4
217.09782	6.0
225.08157	0.9
227.05782	1.1
228.06641	2.0
229.07579	1.1
230.10568	0.9
231.07727	21.7
231.11258	0.9
232.08498	41.9
233.09285	6.9
236.02263	0.7
241.07640	0.8
241.09789	3.6
242.08214	3.8
242.10606	2.3
243.07588	6.1
243.11423	1.5
244.08281	14.8
245.06927	1.5
245.09335	6.1
246.07684	2.2
255.07724	1.5
259.10916	1.7
261.08789	1.9
262.09589	2.4
267.07715	1.9
268.08600	1.9
271.08630	0.8
285.08868	4.5
286.07217	0.9
286.09708	9.3
287.10428	1.5
288.08997	0.9
289.09546	3.4
303.09827	1.9
304.10648	3.1
315.13495	11.7
318.12570	0.9
337.10687	2.1
340.13126	6.1
356.16541	0.8
369.14609	1.9
398.17218	28.6
409.17700	2.1
410.17221	8.5
411.15756	1.6
428.18466	4.2
434.17450	4.1
449.15833	2.1
452.18304	14.5
453.16641	6.0
454.16949	1.0
467.16983	7.1
468.17776	1.2
470.19333	100.0
470.49213	1.0
471.19662	4.8
561.23663	5.4
591.25067	1.5
615.24762	5.5
633.25726	35.6
634.26465	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08026	0.8
51.68608	0.8
53.53984	0.6
59.01229	1.7
64.20583	0.8
80.06911	0.8
81.10046	0.8
82.02840	5.7
94.02879	0.9
96.04395	1.0
108.04424	1.4
112.03936	1.2
120.04395	3.1
122.06044	1.1
124.03908	1.1
129.05394	1.4
135.03059	1.2
136.07553	4.8
138.05460	1.3
139.53049	0.8
147.03107	2.7
148.03926	30.0
149.04709	10.9
150.05489	28.8
152.10710	1.0
154.05020	2.3
160.03941	3.6
161.04723	10.4
161.07050	0.9
162.05453	3.2
163.02626	3.4
164.03430	8.6
166.08614	2.3
173.03456	14.1
173.04742	0.9
174.04247	29.2
174.05522	2.6
175.04991	9.0
175.06334	6.5
176.05786	2.1
186.05444	1.7
187.06314	4.5
188.07092	3.0
189.06607	16.3
190.04968	1.6
190.07388	35.1
191.08170	4.2
192.02911	1.1
199.07463	1.4
200.07158	4.3
201.07881	3.9
202.07379	3.6
202.08839	2.7
203.05966	1.4
203.08105	2.0
213.10280	2.5
214.11104	4.8
215.06140	1.3
215.08200	6.9
216.06773	1.8
217.07388	2.4
217.09766	4.5
224.50702	1.0
226.08971	1.0
227.09438	1.5
228.06581	3.1
231.07690	20.2
232.08485	39.7
233.09273	7.0
241.09833	3.7
242.08205	4.6
242.10484	2.0
243.07399	5.6
243.11349	1.3
244.08612	13.4
245.06851	2.2
245.09303	4.8
246.07668	2.1
259.10852	2.1
261.08841	2.3
262.09546	3.5
267.07840	2.7
268.08563	3.2
285.08832	4.5
286.09650	8.5
287.07751	1.1
287.10641	1.7
289.09589	3.5
303.09854	2.6
304.10638	5.1
315.13458	13.0
337.10712	1.3
340.13065	6.8
356.16187	1.1
369.14560	1.3
398.17233	31.6
399.17630	1.2
409.17575	3.1
410.17099	6.2
411.15857	1.1
428.18259	3.7
434.17038	4.6
452.18311	17.9
453.16483	5.4
467.16791	5.4
468.17743	1.3
470.19318	100.0
471.19543	3.8
561.23425	4.2
573.32294	1.0
591.25031	1.3
615.24664	7.5
633.25702	35.9
634.26239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51529	0.8
65.57206	0.9
67.45277	0.9
82.02840	6.3
93.59301	1.1
94.02802	1.0
96.04398	1.0
103.30479	1.0
108.04395	1.4
108.76656	0.9
112.03878	1.1
120.04411	3.9
122.06032	1.1
124.03914	1.1
126.40855	0.9
129.05423	1.2
135.03117	1.1
136.07571	4.3
143.87404	1.0
145.03889	1.1
147.03127	1.5
148.03934	24.8
149.04712	9.1
150.05499	29.8
150.06700	2.1
154.05031	2.7
160.03935	3.1
161.04744	10.1
161.07043	1.5
162.05533	3.4
162.70500	1.0
163.02629	4.0
164.03424	8.3
166.08659	2.7
172.07628	1.3
173.03464	13.0
173.04738	1.7
174.04253	29.1
174.05553	2.2
175.05025	10.7
175.06351	5.0
179.08226	0.9
186.05515	2.3
187.06377	2.4
187.08627	1.2
188.07117	2.2
189.06612	17.3
189.08133	0.6
190.04982	1.5
190.07388	34.0
190.09071	2.1
191.05733	1.2
191.08170	3.7
191.16527	1.0
192.02925	1.1
200.07103	2.9
201.07898	5.0
202.07095	5.1
202.08977	1.9
203.05905	1.0
203.08095	2.2
213.06578	1.0
213.10297	2.3
214.11119	4.3
215.06227	1.2
215.08122	5.2
216.06790	2.3
217.07399	2.9
217.09793	5.5
224.07111	1.0
227.09592	1.8
228.06607	3.9
231.07712	20.1
232.08505	41.1
233.09239	8.2
240.09016	1.1
241.09709	2.5
242.08206	5.5
242.10501	2.2
243.07512	5.0
244.08612	10.2
245.06975	2.4
245.09256	6.3
246.07654	1.2
259.10895	2.0
261.08658	1.6
262.09528	2.6
267.07770	2.2
268.08551	2.6
285.09018	5.3
285.11722	1.0
286.09717	8.7
287.07767	1.4
289.09512	3.1
303.09900	3.3
304.10587	2.3
315.13525	12.5
318.12320	1.2
337.10574	2.0
340.13141	5.6
356.16016	1.1
369.14273	1.4
398.17258	31.6
398.22433	2.1
409.17783	2.8
410.17200	7.1
428.18350	3.5
434.17368	4.1
449.16119	1.8
452.18271	15.2
453.16968	5.6
467.17044	5.6
470.19348	100.0
471.19708	3.0
512.45319	1.2
561.23633	4.4
591.25439	1.3
615.24860	5.8
633.25745	34.3
634.25610	1.2
659.20355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2569
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
53.64721	0.8
62.48593	0.7
63.63857	0.7
67.35992	0.7
68.57777	0.8
81.86823	0.9
87.52457	0.7
90.96937	0.8
122.05998	1.2
122.87160	0.8
136.07553	12.4
149.04701	1.0
150.05562	1.6
161.07062	1.9
162.05498	0.9
162.09198	1.3
166.08676	2.0
173.07079	1.3
174.04274	0.9
185.07088	1.0
187.08759	2.0
189.10295	1.0
192.10202	1.4
198.09279	1.0
199.08722	2.9
200.09492	2.9
213.06696	1.9
213.10289	5.2
214.11072	4.9
215.08369	9.9
215.11829	35.6
223.08727	2.7
226.07347	1.1
230.10564	1.3
231.07686	1.9
232.08545	2.2
233.09352	1.9
236.09224	1.4
239.08359	4.3
240.08965	1.2
241.09799	100.0
242.08163	1.8
242.10471	4.3
243.11339	1.1
244.08536	0.8
259.10849	14.5
267.07755	1.0
268.08423	4.1
285.08813	15.5
286.09616	8.7
303.09857	44.7
304.10358	0.9
319.14438	2.3
347.17664	1.9
366.11258	0.8
388.16803	1.3
391.16595	8.8
408.19000	1.2
409.17798	2.9
434.17117	3.6
452.18314	17.3
453.17087	2.4
466.16190	12.8
470.19348	63.3
471.19797	2.5
496.17398	1.6
615.24249	1.4
633.25714	50.4
634.25726	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75760	1.1
51.61047	0.8
57.03319	1.1
59.00973	1.1
59.01244	14.9
60.07882	1.0
60.70672	1.0
63.95177	0.8
66.60081	0.9
68.09785	0.8
71.01225	6.2
73.02810	2.3
74.02351	2.4
74.73351	0.8
75.00757	0.9
76.04498	0.9
79.61217	1.0
79.95564	1.1
81.15299	1.0
82.83088	0.9
83.01246	1.9
84.04423	2.0
85.02802	2.6
91.40738	1.0
96.93376	1.9
96.95867	100.0
99.00727	1.1
101.02296	3.0
102.05466	32.3
102.06135	2.2
104.43463	1.0
128.03404	48.4
146.04474	10.9
190.64058	1.1
211.20671	1.4
239.20099	1.7
257.21085	10.1
274.12347	1.7
333.34082	1.3
401.25269	6.6
419.26489	13.2
420.26984	1.4
448.49762	1.5
461.27682	16.2
504.31885	3.1
546.33002	2.2
548.30920	2.3
572.30627	5.9
590.31879	89.8
591.31995	4.3
634.32129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63788	1.4
54.19489	1.1
58.95485	1.3
61.98690	1.8
66.16267	1.3
74.55912	1.3
76.21385	1.5
76.30296	1.7
78.95767	7.7
91.72684	3.2
98.43772	1.3
100.84742	1.5
108.25511	1.3
118.79237	1.6
130.98772	1.5
140.01065	5.6
183.10121	1.8
196.03761	2.1
199.13330	100.0
206.84013	1.9
217.22044	1.9
227.21342	1.7
255.23297	34.4
270.51575	1.6
435.80533	2.0
452.27829	5.4
634.40790	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05418	0.4
59.01236	4.9
60.98752	0.5
71.01224	0.5
76.53075	0.4
78.95741	0.4
79.95589	1.9
96.93239	1.2
96.95867	100.0
97.74826	0.5
101.02240	0.5
129.43903	0.6
141.01602	0.6
141.74551	0.4
142.71638	0.5
179.60342	0.5
242.98254	0.5
269.73407	0.6
613.79553	0.6
663.95349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80515	0.1
59.00969	0.2
59.01244	3.2
67.37606	0.1
71.01226	0.8
73.02811	0.3
75.00747	0.3
78.95752	0.7
79.95594	2.0
81.07818	0.1
81.88316	0.1
83.68838	0.1
85.02840	0.2
89.02284	0.2
90.11938	0.1
91.73219	0.2
94.92506	0.1
96.93419	1.6
96.95870	100.0
96.98757	0.6
98.95964	0.1
101.02304	0.6
104.77366	0.1
113.02317	0.2
114.93259	0.3
131.22348	0.1
141.01567	0.7
156.98984	0.5
161.04434	0.2
191.53125	0.1
210.92047	0.1
289.18085	0.2
319.44308	0.1
337.31650	0.2
452.19418	0.2
464.49512	0.2
493.24814	0.1
549.20587	0.4
549.30701	0.3
613.09882	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16096	0.8
57.43114	0.8
58.99985	1.6
59.01241	100.0
59.02367	1.8
63.38959	0.7
63.57447	0.9
71.01240	10.4
71.01605	1.3
73.02799	4.3
83.01247	2.5
85.02810	3.7
89.02287	12.5
95.01244	0.9
96.95852	0.8
97.85307	0.8
99.00785	1.3
99.09416	1.0
101.02309	15.4
113.02306	8.5
119.03381	3.5
128.03398	1.2
161.04431	4.2
179.05524	4.2
196.50435	1.1
207.08682	34.3
216.17297	0.9
243.17923	1.1
249.09776	19.6
249.20000	0.9
293.08835	1.1
341.10876	21.0
468.74588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42377	0.8
58.33020	0.9
58.83677	0.8
59.01234	4.6
66.54470	0.9
67.17568	0.9
71.01236	1.2
73.02809	1.8
73.52966	1.2
92.63720	1.0
94.05211	1.1
99.06343	1.0
119.04880	2.1
120.04424	20.0
120.38737	1.1
121.02825	32.6
128.03421	4.9
137.05988	1.0
146.06113	1.3
160.07565	3.0
162.09149	17.4
166.13289	1.1
170.05969	1.1
188.07114	3.1
206.08151	20.8
209.71233	1.2
232.06137	7.4
250.07202	100.0
251.07683	1.5
281.10400	1.8
341.12378	2.7
407.68469	1.1
409.07663	1.1
499.28311	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41962	0.2
60.54636	0.2
71.01225	0.3
72.70159	0.2
72.99160	0.3
73.02809	1.0
75.00736	0.3
77.03824	1.3
77.04202	0.2
78.01323	0.2
85.02800	0.2
85.13081	0.2
89.03822	0.9
91.05370	0.3
93.03333	1.3
95.01240	0.3
95.04883	4.8
99.00735	3.7
103.60763	0.3
105.03319	16.0
107.04892	1.2
108.02024	0.6
109.02821	1.4
115.05372	0.3
117.01832	0.4
117.03329	1.1
119.04882	1.0
121.02814	7.1
121.06395	0.3
122.03571	0.8
123.04403	4.2
129.03325	0.3
131.04907	0.7
132.02057	0.7
133.02826	100.0
133.06752	1.3
134.03294	0.9
134.03477	0.9
135.02859	0.8
135.04395	3.6
137.02248	0.4
139.03885	0.7
145.02797	0.3
146.03604	0.4
147.04422	3.3
148.05186	2.0
149.02328	9.2
149.05971	4.5
150.03139	2.0
151.03909	2.5
158.03575	0.3
159.02882	5.7
159.04398	1.8
161.02348	2.7
161.05943	1.5
162.03087	1.0
163.03906	5.0
175.03824	0.4
176.04646	0.3
177.01846	60.1
177.05446	18.4
177.07976	0.8
178.02176	1.1
179.03391	1.3
189.05482	0.9
191.03404	0.7
195.02936	1.0
203.03407	0.6
207.06555	8.3
208.07002	0.2
246.73775	0.2
251.05591	6.4
295.04620	5.5
334.42801	0.3
346.42303	0.3
359.79044	0.3
437.84348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44855	1.0
59.00019	1.0
59.01241	63.5
71.01241	17.8
73.02805	37.9
73.03204	2.5
73.04280	1.0
73.15790	1.2
83.01245	8.0
85.02809	3.9
89.02303	5.4
92.39188	1.2
99.04391	2.4
100.25621	1.0
101.02301	34.7
101.02948	2.0
103.00694	1.3
108.02052	3.4
109.02838	7.9
113.02312	12.9
119.03394	4.1
121.02849	2.2
122.03602	17.8
123.00801	1.4
123.04386	100.0
125.02312	1.7
131.03392	4.2
137.02312	7.0
143.03403	4.6
145.76814	1.4
149.04468	6.5
161.04413	11.7
186.50816	1.2
203.05634	5.2
221.06648	4.1
267.08752	2.7
324.80469	1.4
327.10947	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	1.9
57.03315	2.4
58.00438	1.6
58.99985	1.6
59.01242	100.0
69.03333	3.6
71.01239	82.4
72.99152	3.3
73.02803	17.0
75.00742	2.6
81.03307	2.1
83.01245	7.3
83.98228	1.4
85.02809	21.6
87.00734	12.0
89.02296	99.9
95.01234	6.1
97.02806	6.9
99.00737	13.0
101.02303	84.7
101.02844	1.0
104.24986	1.5
105.03305	1.6
107.04877	9.5
109.02811	2.2
111.00748	3.3
111.04366	1.3
113.02310	42.2
115.00218	1.7
119.03367	38.9
125.02299	15.7
131.03380	7.5
133.01314	3.3
133.02853	7.0
142.40085	1.4
143.03372	13.5
149.02312	1.7
149.04443	5.3
151.03925	7.4
155.03467	1.5
159.02861	1.9
161.04445	14.3
167.03415	2.7
177.01862	3.5
177.05551	1.6
179.05533	79.9
185.04475	2.1
192.78342	1.6
210.65295	1.4
221.06627	77.7
224.83031	1.5
227.00760	1.7
245.06677	1.8
249.18811	1.3
263.07990	2.0
264.19617	1.5
281.08749	3.1
323.09937	3.4
323.13474	16.4
383.12091	4.6
407.11911	21.7
425.12997	2.7
485.15103	15.9
555.38434	1.6
593.21088	3.3
600.48987	1.5
637.19879	93.1
638.20380	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40802	0.3
59.01231	1.8
66.08717	0.4
67.43497	0.3
67.61383	0.4
71.01213	0.8
72.99163	1.3
75.00731	19.2
81.91503	0.4
89.02292	4.2
105.03295	1.1
115.93674	0.4
117.01800	1.4
133.02837	5.8
134.03236	1.3
134.98491	0.9
135.02869	100.0
135.04356	11.2
136.03210	0.4
149.02321	0.5
161.02342	3.1
162.29037	0.4
177.01865	2.3
177.05486	0.5
178.02202	0.8
179.03433	9.3
180.03845	0.7
208.07053	0.5
297.06137	14.4
297.09262	0.9
314.48996	0.5
341.08694	0.5
404.44727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50692	0.5
59.01241	6.8
60.06668	0.6
65.18875	0.7
71.01241	0.7
71.56689	0.6
74.02328	2.2
75.32215	0.7
82.02848	1.9
84.04390	2.5
84.86134	0.8
86.02328	13.7
90.23648	0.7
96.04408	0.8
102.98474	1.6
109.07590	1.0
119.04890	1.8
120.01115	23.5
127.05012	2.8
127.08656	11.6
127.99347	1.2
128.03407	100.0
133.25719	0.7
153.06587	7.6
156.36536	0.8
163.03935	4.9
171.07660	35.0
179.04489	1.7
213.03380	1.4
215.06729	4.8
218.77486	0.8
231.04379	8.7
249.05501	51.4
250.87868	0.8
303.14221	1.0
339.49963	0.9
350.83395	0.9
446.54745	0.9
466.17511	2.4
577.20850	1.8
585.14355	0.9
595.21918	7.6
630.93420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16151	1.9
53.67009	2.1
55.01746	3.3
58.82063	2.3
59.01240	100.0
71.01244	24.0
73.02795	7.6
76.95153	2.2
81.30807	2.7
83.01241	4.9
85.02795	15.0
85.99927	2.4
89.29393	2.4
96.95855	2.7
97.02815	3.0
99.00748	3.8
101.02287	16.8
113.02292	17.1
116.62381	2.4
124.01539	2.3
125.02338	6.2
143.03433	5.3
143.10648	6.8
170.02782	2.4
185.28278	2.9
287.14966	5.4
431.19342	33.8
449.20340	65.3
467.21115	19.3
491.21176	15.8
509.22281	13.7
605.04333	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16580	1.2
82.02834	17.5
98.14014	1.5
114.16793	1.5
132.25587	1.4
136.03960	3.3
164.03452	8.2
164.66353	1.6
172.07610	2.4
188.07167	2.5
194.04582	2.5
196.06049	1.7
217.06091	4.3
229.06119	3.0
231.07730	7.2
243.04102	8.3
243.07854	4.7
256.04999	1.7
257.09232	4.0
258.06448	2.4
259.07281	6.9
269.09137	2.1
271.07236	12.6
285.08810	2.4
286.09457	3.1
287.07422	1.9
287.10373	10.6
291.09872	4.5
462.44211	2.0
486.18304	1.9
533.10028	1.8
609.38776	5.4
641.41779	100.0
642.41833	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92949	1.0
55.47850	1.0
56.07518	1.0
57.00616	1.0
71.01267	1.1
82.02830	2.9
84.04391	1.5
90.72202	1.2
96.95915	1.5
99.06998	1.5
109.03952	1.3
114.15456	1.3
119.04916	1.9
127.04976	1.4
128.03409	100.0
130.08612	15.9
140.29242	1.2
163.03880	2.9
195.07797	1.7
197.12914	4.1
211.46761	1.4
223.10782	1.5
239.06688	3.7
241.11948	7.7
259.13049	3.7
294.43570	1.3
370.16409	4.0
388.17349	5.2
466.17804	1.7
499.20578	2.4
517.21680	10.1
628.25055	5.0
646.25879	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.241
Annotation	Thalfine
Peak:m/z	Relative Intensity
59.00971	2.0
59.01242	27.2
69.03306	2.0
71.01240	24.1
73.02794	10.9
73.36848	1.5
80.89497	1.4
83.01200	1.5
85.02792	4.8
85.33356	1.5
85.37162	1.6
87.00723	2.3
89.02296	36.0
95.01259	2.3
97.02823	4.1
99.00726	2.0
101.02303	28.2
109.44675	1.6
111.94762	1.6
113.02309	13.9
119.03365	13.8
119.04885	7.9
125.02322	3.2
128.03398	21.4
130.08612	14.5
131.03389	3.5
139.03897	3.7
139.81775	1.6
141.10321	1.8
143.03406	4.2
161.04497	6.4
163.03874	5.8
179.05531	15.8
185.04573	1.9
221.06584	15.2
241.11940	3.8
259.13034	15.8
288.84933	2.2
343.10004	2.1
368.83856	2.0
383.11795	14.5
416.76593	1.9
647.24139	100.0
648.24579	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.2
73.07304	2.7
82.95259	3.2
94.01558	2.8
96.95847	3.2
99.52022	2.6
128.03342	3.0
129.67607	2.7
136.07538	27.1
141.95047	2.8
161.07146	13.6
162.05515	6.0
166.08623	3.8
173.07132	8.3
180.09586	2.9
189.10291	10.3
192.45013	3.3
192.46727	3.0
199.08687	4.5
211.08727	6.1
213.06688	11.3
213.10294	19.2
214.07631	3.8
214.11076	13.1
215.08228	100.0
215.11737	6.4
226.07538	8.2
230.10323	3.9
233.09264	8.1
239.08186	20.2
240.09071	12.4
241.09787	44.8
242.10628	8.5
243.11273	4.4
255.11484	4.5
266.06870	5.3
267.07776	53.4
268.08551	42.2
269.09332	15.6
273.12445	8.8
285.08810	17.7
286.09467	13.9
299.10352	68.6
317.11426	15.7
334.15735	4.9
340.54669	3.6
362.18793	5.3
388.16733	22.5
390.18027	7.1
406.17801	11.1
434.11551	6.0
434.17245	90.3
452.18619	20.8
466.19788	32.2
484.20868	67.2
647.27283	90.7
651.81812	4.8
669.01514	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75278	4.6
59.01242	12.1
61.52921	4.7
61.98680	4.9
92.50120	5.2
96.95879	26.3
102.05467	28.2
109.81462	5.4
124.07462	5.5
128.03418	31.0
134.91245	6.5
136.07549	70.3
146.04486	26.6
152.46356	6.0
161.07104	8.6
166.08690	28.1
168.00035	5.9
168.91333	12.1
173.07144	9.7
182.46837	6.2
188.27051	6.3
199.08669	9.7
213.10103	6.3
214.11107	26.1
215.08194	43.5
233.09276	9.3
239.08185	8.9
240.09050	42.6
241.09879	26.4
255.11406	34.9
285.08856	10.3
285.91385	7.0
291.44000	6.4
299.10535	10.1
317.11438	11.2
318.16391	6.8
336.17221	12.5
360.17218	7.4
362.18607	14.2
364.20367	10.8
390.18283	100.0
399.96057	8.3
406.18277	7.8
422.21060	21.8
434.17395	33.7
452.18491	12.8
466.19876	38.9
484.20929	97.6
506.42737	7.2
602.31647	17.2
603.32416	28.7
647.27441	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03294	1.5
59.00138	1.0
59.01244	59.9
59.94973	1.1
71.01240	17.6
71.77560	1.3
72.00741	1.6
73.02803	11.6
74.02327	12.1
74.18378	1.3
77.78941	1.1
83.00546	1.2
83.01225	4.6
85.02797	7.3
89.02309	10.7
96.95856	1.3
101.02303	15.6
102.05468	10.0
104.03384	17.1
105.66234	1.3
113.02305	9.8
119.03342	2.5
128.03380	5.6
134.44395	1.1
141.34723	1.4
146.04463	5.7
215.08305	1.5
290.32468	1.4
302.42468	1.3
382.23938	1.8
407.21585	1.3
526.27466	1.6
542.78223	1.5
544.29443	1.9
558.81140	1.6
594.46198	1.5
618.29321	10.8
630.28711	3.9
647.89496	1.5
648.30286	100.0
649.30872	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81329	1.2
53.95406	1.5
55.15057	1.6
59.01241	38.4
61.98685	2.8
71.01246	13.9
72.00768	3.7
73.02802	7.2
74.02325	18.7
83.01228	4.0
85.02802	5.1
86.14690	1.6
89.02297	7.0
91.72891	2.6
101.02319	9.5
102.05461	5.5
104.03397	52.0
112.62347	1.9
113.02298	6.4
113.07384	1.7
116.68040	1.6
128.03421	2.3
146.04427	2.6
169.03749	1.9
195.07991	1.8
618.29120	6.4
648.30328	100.0
649.30188	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31013	1.4
59.01242	25.7
67.41669	0.8
71.01242	10.0
71.53284	1.1
73.02808	13.7
83.01233	3.5
84.04401	1.8
84.25768	0.8
84.89198	0.7
85.02802	2.5
89.02322	4.4
96.95853	0.9
100.03889	3.2
101.02306	9.6
102.02733	0.8
102.05471	57.0
113.02315	3.8
119.03341	1.7
128.03415	30.9
131.03371	0.9
139.75276	0.9
146.04480	26.1
215.08235	1.0
280.44354	1.2
280.72107	0.8
292.56146	0.9
296.20068	1.1
342.57538	0.8
382.23734	2.0
435.18027	1.0
445.54166	1.0
519.26147	5.6
537.78778	0.9
604.31110	3.8
630.29480	5.2
648.30328	100.0
649.30225	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36143	0.4
59.01239	5.6
71.01239	4.9
73.02818	0.9
85.02793	1.0
87.00739	0.5
89.02299	7.2
90.72768	0.6
93.03334	1.0
96.95869	2.8
99.00748	0.9
101.02305	5.0
103.34732	0.4
110.73237	0.4
113.02291	2.8
119.01625	1.3
119.03416	3.0
119.04890	100.0
119.08625	1.0
120.05231	1.4
125.02315	1.4
128.03418	4.4
129.03775	1.4
130.03879	0.7
130.08601	0.9
135.02864	0.9
143.03358	0.7
161.04462	1.6
163.03905	53.4
164.04268	0.9
179.05537	6.5
209.67429	0.4
221.06624	4.7
275.42087	0.5
364.14130	0.5
407.11935	1.7
419.32651	0.4
485.15067	2.0
648.26434	0.8
649.19818	21.5
650.20123	1.3
657.18628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88414	4.9
55.37595	4.7
59.01247	35.3
62.20060	5.2
66.06839	5.2
70.33349	5.4
71.01234	21.0
73.90527	5.6
89.02326	30.3
101.02319	21.1
101.55869	6.0
113.02332	13.9
115.33955	7.3
120.75610	6.3
122.94776	6.9
124.33665	6.6
125.02234	7.3
170.67313	6.6
179.05524	7.7
207.70746	8.0
251.20204	100.0
397.13467	67.3
415.14664	25.3
451.99390	8.3
500.22415	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00128	0.9
51.35049	0.9
55.53733	1.2
59.01244	15.4
69.53483	1.0
71.01241	6.3
73.02795	1.9
73.76168	1.1
84.04402	2.3
85.02802	2.7
94.98552	1.1
96.95863	3.4
99.00729	1.4
101.02299	4.2
102.05466	36.4
108.04368	1.4
109.83186	1.5
113.02304	1.5
128.03407	62.6
135.24316	1.2
146.04483	11.4
174.04169	2.0
175.04930	2.3
176.05742	1.7
186.39063	1.1
232.08473	2.5
241.09831	3.0
245.06898	1.2
255.19760	2.3
273.20782	7.8
306.50961	1.3
398.17142	1.5
417.24939	6.0
435.25922	13.8
470.19421	3.1
477.27036	18.4
520.86896	1.4
521.21082	1.5
562.32397	1.6
588.30292	6.0
606.31372	100.0
607.31573	4.4
651.27716	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31067	0.5
57.33670	0.6
59.01243	32.9
59.20967	0.6
60.99165	0.8
68.24489	0.6
71.01238	9.9
72.00751	2.2
73.02811	8.7
74.02329	49.2
79.93273	0.6
83.01240	2.0
85.02800	3.2
89.02303	5.0
96.95866	3.4
99.00724	0.7
99.77280	0.8
101.02309	9.1
104.03394	14.5
113.02318	4.5
119.03373	1.6
128.03383	1.1
155.62215	0.7
168.59204	1.4
272.77438	0.8
309.61377	0.7
560.28900	1.4
578.29590	2.3
620.30786	11.4
650.31866	100.0
651.32245	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68243	0.6
54.30264	0.7
57.03307	3.3
63.78573	0.6
76.36129	0.7
78.95755	16.3
81.03297	1.3
83.04880	12.5
87.36629	0.8
102.26842	0.7
109.06439	4.7
111.04941	1.4
111.08013	100.0
112.08351	1.1
122.98367	5.5
134.98393	1.3
149.68541	0.8
152.99445	3.6
168.04179	5.4
168.55084	0.8
173.08092	3.1
178.51442	0.7
187.09676	63.8
224.06903	2.7
247.01103	0.7
255.23286	74.9
256.23538	2.0
335.08914	1.1
391.22763	1.1
412.17435	0.9
439.01245	0.9
462.29785	1.2
480.31177	4.7
591.32928	7.8
643.98566	0.8
650.40381	20.4
651.40771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30280	0.5
50.96437	0.5
53.89583	0.6
55.93233	0.5
56.27557	0.6
59.00972	1.0
59.01242	15.6
67.77132	0.6
68.98328	0.5
71.01237	5.4
73.02800	11.8
77.89243	0.6
83.01230	1.8
85.02795	1.2
89.02312	1.9
91.73376	0.8
93.03313	57.0
93.05593	1.0
94.03654	0.8
94.32783	0.7
101.02303	9.6
113.02291	4.2
113.70678	0.6
119.03365	1.4
119.04884	2.5
120.70095	0.7
128.03403	1.1
130.17084	0.7
136.97717	1.1
137.02316	100.0
137.85191	0.5
138.02597	1.0
149.04448	1.8
151.03931	1.3
161.04448	3.4
163.03938	1.2
179.03383	1.1
195.92157	0.8
221.06651	1.2
341.09070	0.9
441.86505	0.8
539.35187	0.7
561.57690	0.8
651.21191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32978	0.8
53.85115	0.7
58.00479	1.0
58.78883	0.8
59.01244	33.7
61.25272	0.8
71.01242	14.8
77.93124	1.0
83.01251	1.3
85.02811	2.9
89.02295	24.3
95.01267	0.9
97.84699	0.9
101.02308	13.7
113.02306	6.8
119.03379	12.0
125.81116	1.0
128.03418	2.5
129.05449	1.7
146.08150	1.5
147.06488	1.2
151.00375	1.1
166.94942	1.1
179.05545	1.4
186.12691	1.3
309.11923	100.0
322.04160	1.2
371.49173	1.1
390.28128	1.1
505.16446	1.2
558.91644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58953	0.1
59.00973	0.3
59.01244	3.8
59.25496	0.1
64.84098	0.2
67.16454	0.2
71.01237	0.5
73.02811	0.2
74.02337	0.3
75.00725	0.4
78.95766	1.0
79.95591	1.8
85.02809	0.3
89.02285	0.1
96.95869	100.0
96.98325	1.6
97.95805	0.2
101.02312	0.4
113.02351	0.2
114.93279	0.4
156.98959	0.4
157.01056	0.3
159.52104	0.2
161.04507	0.2
176.03458	0.2
312.52713	0.2
467.30035	0.3
509.31372	0.4
526.58075	0.2
565.27588	0.3
651.32129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19897	0.3
55.91644	0.3
59.01257	0.8
61.98677	0.5
62.96266	0.5
78.93990	1.5
78.95761	100.0
78.97789	1.1
80.96355	0.6
83.38863	0.3
85.57269	0.3
97.06435	0.4
101.02306	0.3
106.11044	0.4
120.07555	0.3
125.09583	3.2
128.98431	0.4
148.98793	0.4
148.99980	6.0
152.99469	3.3
179.01007	0.5
184.39601	0.4
185.53439	1.3
187.09663	3.2
205.15874	2.8
255.23251	1.0
285.12595	3.7
323.08932	0.7
355.16794	2.8
385.17749	1.4
397.12775	0.8
447.13425	5.9
534.53711	0.4
653.29919	49.8
654.30487	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72725	0.2
59.01234	0.5
65.41207	0.2
87.10961	0.2
93.03323	0.5
117.03354	0.2
119.01683	1.2
119.04893	100.0
119.08608	1.0
120.05232	1.1
120.07005	0.2
124.02448	0.2
130.08612	12.5
161.05948	0.3
162.98750	0.9
163.03906	94.2
163.09845	0.9
164.04233	1.1
176.04593	0.2
182.15417	0.3
211.18123	1.1
226.14452	0.4
227.21326	1.0
260.88895	0.2
271.20288	44.0
272.20645	0.9
307.08334	0.5
367.10382	7.6
407.19089	0.2
424.75253	0.2
510.43137	0.2
626.31622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53646	0.4
55.19793	0.4
57.61935	0.4
58.72400	0.4
59.01233	0.9
71.01231	1.1
72.99161	1.2
73.02807	5.0
75.00336	0.8
75.00729	8.4
87.00735	6.0
89.02295	2.1
117.01801	11.6
119.01431	0.7
119.04893	41.3
123.04379	0.9
124.21458	0.5
128.03337	0.7
135.02867	48.0
139.41653	0.5
145.02867	1.1
162.98291	1.1
163.03905	100.0
164.04292	1.7
234.86426	0.6
281.06677	25.0
282.06882	1.0
322.77740	0.6
325.53079	0.6
350.38724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53499	1.0
57.03302	2.5
57.39360	1.2
61.98681	2.0
69.03351	1.4
78.95761	42.9
80.63685	1.2
84.98643	1.3
96.96806	3.3
97.06453	7.2
106.04613	1.3
123.07991	3.0
125.09589	60.3
128.76520	1.3
152.99467	96.6
160.69775	1.7
171.00607	6.7
187.09673	65.3
190.72131	1.6
255.23254	23.0
323.09076	12.7
397.12781	17.0
401.16510	1.6
415.14063	1.6
653.36798	100.0
654.37506	3.8
681.78046	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58796	2.7
59.01244	46.1
64.78019	3.4
71.01249	29.1
73.02814	8.0
81.03307	4.0
87.00742	6.1
89.02306	30.7
96.36732	3.2
97.02798	4.7
99.96724	3.5
101.02293	24.5
113.02307	10.4
113.97437	3.8
119.03365	10.7
121.67320	3.6
125.02331	9.7
161.04465	4.7
178.11275	3.5
179.05556	5.9
235.08260	14.9
239.66496	3.8
255.23302	100.0
265.37701	4.4
305.08774	6.4
311.16803	5.1
397.13596	61.3
415.14633	26.3
417.93176	4.5
571.28717	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94759	0.7
57.03305	0.9
59.01240	48.0
69.03320	2.5
71.01235	29.8
72.99166	1.6
73.02802	6.3
75.00738	1.3
81.03319	2.2
83.01244	2.9
85.02808	7.3
87.00735	7.8
89.02296	36.6
95.01237	1.1
97.02818	7.3
99.00710	2.5
101.02302	26.0
113.02304	12.2
119.03367	12.5
121.02816	1.3
125.02305	10.9
129.68594	1.1
131.03392	2.4
133.04918	1.2
143.03363	5.0
149.04456	1.0
156.26682	1.1
161.04440	6.6
179.05554	6.5
185.14436	1.2
211.95760	1.1
221.06674	2.8
235.08200	9.5
255.23285	100.0
256.23608	1.1
287.07855	2.7
305.08765	4.0
323.09955	1.3
362.94333	1.1
397.13516	70.2
398.14008	1.4
403.72653	1.2
415.14587	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87298	3.3
72.99662	2.5
73.13817	2.5
75.34638	2.7
109.81168	3.4
115.20695	3.1
175.42448	3.2
177.73041	3.1
270.82825	3.5
286.56152	3.2
308.56720	3.4
463.92047	3.7
617.46069	4.2
653.44269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	100.0
61.98684	3.9
66.86868	3.5
76.96446	3.2
83.06971	3.9
103.29890	3.9
116.92723	14.8
116.97101	12.9
118.12231	4.0
141.01563	61.2
148.16066	4.0
230.31670	4.6
247.55907	4.3
275.05801	4.4
440.70850	4.1
463.66226	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66569	0.6
56.35451	0.8
57.49062	0.9
58.99971	1.3
59.01242	100.0
59.02368	1.5
61.98694	1.0
63.65111	0.8
66.68179	0.7
78.95746	1.2
82.92968	0.7
91.72636	2.0
107.58323	0.9
111.57064	0.8
141.01576	59.4
211.49132	1.0
221.06018	1.0
275.06412	1.4
277.21881	1.9
278.50128	1.0
293.09384	1.2
359.21933	1.2
443.02466	1.0
469.43423	1.0
473.29520	1.4
535.28076	1.8
545.81390	1.4
567.19818	1.1
619.35132	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24454	0.3
59.01239	2.0
59.39590	0.3
61.76376	0.3
71.01241	1.1
72.99149	1.4
75.00729	18.5
76.46530	0.3
78.82645	0.3
87.00735	0.3
89.02296	4.1
89.12792	0.4
99.00740	0.4
105.03316	0.6
107.04897	0.7
117.01780	1.7
121.02829	0.4
123.04401	1.8
130.65503	0.4
133.02829	10.4
134.03656	0.6
134.98434	1.1
135.02872	100.0
135.04346	8.6
136.03194	0.6
151.03915	1.5
161.02338	4.8
177.01880	0.9
177.05499	0.4
179.03406	7.0
180.03893	0.4
193.04921	0.6
195.02910	8.4
195.04558	0.6
222.06630	0.4
243.35178	0.4
264.76755	0.5
297.06161	18.1
311.07755	0.7
313.05737	1.2
451.09232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57375	0.6
59.01242	23.6
62.42237	0.7
68.02055	0.6
69.40142	0.6
71.00875	0.8
71.01247	12.0
73.02799	5.6
75.00732	0.8
83.01237	2.4
85.02812	7.7
87.00720	0.9
89.02299	5.4
95.01257	1.9
96.95829	0.8
99.00751	1.3
101.02306	10.4
106.63076	0.8
112.24536	0.8
113.02322	7.9
119.03371	2.5
119.04800	0.8
121.06461	5.9
130.08595	6.0
135.02861	2.3
135.04401	1.6
143.03352	1.2
147.04413	18.3
161.04504	0.9
163.03934	0.9
165.05473	19.4
172.79247	0.7
226.14470	1.1
249.07631	1.0
271.20285	20.7
309.06271	1.5
309.09811	25.0
310.10107	0.9
310.14093	0.7
320.50650	0.8
327.10892	32.1
336.26559	1.0
369.11926	100.0
370.12231	2.3
548.65393	0.8
588.27014	0.9
655.25049	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51982	1.6
56.57457	1.7
59.01236	2.4
59.52679	1.6
62.16769	1.7
65.53564	2.0
70.02817	2.0
88.03886	21.9
88.04329	2.4
91.72688	3.7
96.00773	25.9
96.95846	2.5
98.02341	40.3
109.01546	2.0
111.01876	3.7
113.03447	4.8
113.07062	3.4
116.40839	1.9
116.58112	1.9
117.35426	2.4
120.12564	1.7
123.05506	3.4
123.60215	2.1
124.03861	2.4
129.10205	15.5
155.08208	5.6
159.67554	2.1
164.70979	2.0
165.10275	11.3
166.08659	4.0
168.02962	6.7
169.65395	2.3
182.38542	2.5
185.05571	14.0
202.08429	2.5
207.15022	6.5
208.10866	4.3
209.09239	5.5
226.11914	10.7
242.18790	26.7
278.18817	3.7
321.19354	5.8
339.20422	20.7
342.91776	2.4
436.21951	3.4
451.30206	2.5
469.31461	17.5
525.26953	4.8
566.33533	10.6
638.35474	3.8
654.08508	2.4
655.37903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77068	1.5
58.68501	1.4
59.00044	1.6
59.01241	100.0
59.02353	1.7
116.92731	15.3
116.97105	8.1
117.01830	2.7
121.61180	1.4
130.82504	1.5
141.01582	73.9
241.22896	1.6
263.36780	1.6
275.06378	3.1
279.23431	2.6
330.78864	1.6
361.22971	2.8
537.29376	4.0
617.10742	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	3.1
59.01234	9.5
61.98686	3.7
71.01231	3.9
78.27480	2.6
78.95797	2.8
89.02324	3.9
97.06448	9.7
101.02314	5.0
105.37726	2.6
111.41335	2.4
116.92719	10.8
116.97137	4.9
123.08029	3.2
125.09585	100.0
144.60522	2.5
169.08636	4.5
187.09671	80.2
187.11346	4.4
196.58369	3.3
229.71098	3.2
229.87544	3.0
241.73399	3.0
242.83818	3.0
251.20110	18.4
301.35162	3.5
405.17813	5.8
423.18784	20.2
444.01306	3.5
536.80658	3.2
657.38788	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15289	64.2
64.89351	83.9
78.85616	81.3
87.47311	75.3
91.73329	90.0
93.50403	90.2
94.11864	97.0
99.30775	76.0
109.99603	91.0
125.26009	90.9
132.50316	89.0
161.36557	90.4
377.99509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62309	2.3
57.59737	2.1
58.15625	2.7
58.25990	2.0
59.01243	100.0
62.44569	1.9
67.63919	2.0
73.25100	2.1
80.31900	2.3
132.99680	2.7
135.67993	2.3
140.18994	2.2
152.99452	2.8
242.91370	2.5
252.97191	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.7
57.03304	1.2
59.01246	7.3
59.49895	0.4
59.60835	0.4
61.70252	0.4
62.13002	0.4
64.89451	0.5
65.48835	0.5
68.99683	4.5
69.03304	0.9
70.01283	0.5
71.01238	6.6
72.99150	1.0
73.02790	1.8
73.23490	0.5
75.00716	1.8
75.41834	0.5
78.95742	0.7
82.95962	0.6
83.01244	2.1
85.02797	6.7
87.00742	3.6
89.02293	5.6
95.01218	1.8
96.95854	0.7
96.96799	1.5
97.02827	1.1
99.00093	0.6
99.00732	8.4
101.02302	5.1
109.02825	0.5
111.00707	1.7
112.94907	0.5
113.02315	8.7
113.99445	10.8
115.00237	8.3
119.03349	2.3
121.67373	0.6
125.02272	1.4
127.00243	4.0
128.03403	1.7
129.01791	2.4
139.00270	2.1
141.01814	1.6
156.00507	0.9
157.01332	4.3
161.04465	0.8
169.01367	1.0
174.01608	7.7
175.02342	2.2
179.05612	1.0
221.06630	4.6
277.05524	2.7
317.05487	1.5
318.05759	0.9
319.05145	2.3
329.59009	0.6
439.10843	1.5
480.54745	0.7
503.16095	2.0
601.16156	3.5
661.18402	100.0
662.19049	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.8
57.03303	0.5
57.77591	0.4
59.01242	6.0
67.01717	0.4
67.88668	0.5
68.99677	4.1
69.03306	1.2
71.01241	6.7
72.99154	0.7
73.02794	2.0
75.00723	1.8
78.95774	0.8
83.01217	1.6
85.02808	8.2
87.00732	4.3
89.02304	4.7
91.72961	0.5
95.01238	2.2
96.96853	0.6
97.02789	2.1
99.00739	8.9
101.02325	5.3
109.02818	0.9
111.00733	3.0
111.01370	0.5
111.04401	0.6
112.98682	0.6
113.02306	8.0
113.98711	0.9
113.99454	12.4
115.00237	10.1
117.01795	0.5
119.03333	1.7
124.85664	0.5
125.02332	0.8
125.03278	0.4
125.74157	0.6
127.00248	5.2
127.04931	0.8
128.03403	9.2
129.01820	2.5
131.03384	1.2
139.00235	2.3
141.01750	1.4
145.05037	0.6
145.06070	0.8
157.01320	3.0
161.04463	0.6
169.01396	0.7
171.65863	0.5
174.01602	8.3
175.02422	3.6
179.05479	1.2
210.83098	0.6
221.06566	4.1
277.05484	1.6
439.10986	1.1
532.18842	0.7
601.16431	3.9
619.56567	0.6
643.22473	0.6
661.18329	100.0
662.18884	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51902	1.0
57.03304	2.8
59.01257	5.3
60.75724	1.8
61.21296	1.0
69.03326	1.0
71.01231	1.9
79.73016	1.1
80.57020	1.0
85.02795	1.0
87.00753	2.2
89.02293	2.1
97.06444	11.4
101.02284	4.2
113.02322	1.7
123.08029	4.7
125.09588	73.1
145.04927	1.7
145.68663	1.0
154.64372	1.3
161.04456	2.3
169.08592	1.5
181.82245	1.1
187.09671	32.8
235.08231	2.4
255.23283	55.9
387.54480	1.3
391.71475	2.4
399.44781	1.2
405.17673	4.1
423.18759	3.8
462.91943	1.4
469.80704	1.5
661.41803	100.0
662.42096	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.3
59.01245	8.3
60.75728	1.4
60.76013	1.0
61.98678	0.8
62.34237	0.8
62.54830	0.8
69.03289	1.1
69.96684	0.8
71.01241	3.2
73.80827	0.9
75.00777	1.0
85.02811	1.5
87.00755	1.0
89.02301	4.0
89.65799	0.9
97.06446	10.0
101.02308	2.8
113.02298	1.8
119.03330	2.0
120.48792	1.1
123.08021	5.6
125.09592	88.1
143.10657	1.7
158.23206	1.1
161.04498	1.0
169.08559	1.5
176.61716	1.5
179.05534	1.5
187.09682	69.1
253.09227	2.6
255.23294	25.0
374.40393	1.1
391.71445	2.5
405.17639	3.7
423.18649	12.5
435.32825	1.1
461.14340	1.1
612.93512	1.2
661.41791	100.0
662.42023	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24226	0.4
59.01239	1.1
62.88745	0.4
74.99316	0.4
85.02802	0.6
119.04893	13.6
120.04417	19.3
121.02821	30.7
121.21723	0.4
122.03156	0.5
122.07000	0.4
128.03386	1.9
146.06035	0.5
160.03925	1.0
160.07550	1.6
162.09143	15.5
163.03912	14.6
164.28186	0.4
170.06012	0.9
188.07108	3.5
206.08173	20.5
232.06151	6.4
250.07199	100.0
251.07545	2.7
316.87836	0.5
373.17035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67924	2.1
59.01238	36.1
61.05433	2.2
66.48651	1.8
71.01244	14.5
72.00750	8.6
73.02789	11.6
74.02324	32.0
78.16769	2.1
79.60239	2.3
83.01232	4.4
85.02789	6.8
87.00716	2.9
89.02272	7.4
93.96107	2.0
96.95848	5.2
100.00240	2.7
101.02281	9.0
102.05443	9.1
104.03391	82.2
113.02294	5.9
116.97866	2.1
128.03387	20.3
129.73647	2.0
146.04454	3.7
208.46220	3.1
211.47319	2.8
287.22314	4.0
392.73694	2.6
449.27563	5.1
602.31989	3.2
620.32843	25.0
634.28442	8.0
664.29749	100.0
665.30090	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65372	0.8
53.62244	0.4
55.00385	0.5
55.37080	0.5
57.03312	1.1
59.01239	19.1
60.53498	1.3
60.53749	0.5
66.57861	0.5
71.01234	7.3
72.99197	0.5
73.02793	1.7
74.02316	1.5
75.12370	0.5
75.97432	0.4
77.85257	0.5
83.01237	1.8
84.04397	1.7
85.02810	3.0
87.00694	1.4
89.02285	0.7
95.01247	1.0
95.83292	0.6
96.95864	1.5
99.00745	0.5
101.02303	4.3
102.05464	34.4
113.02306	1.9
124.01519	0.8
128.03404	50.6
129.01732	0.6
146.04475	9.6
220.26071	0.6
269.21249	2.1
287.22256	11.9
288.85333	1.2
312.24918	0.7
372.27499	1.4
429.95102	1.3
431.26413	8.0
449.27554	16.4
489.68027	0.7
491.28629	16.5
534.32471	3.0
576.34143	2.4
578.31830	1.7
602.31744	5.2
620.32928	100.0
621.33759	3.1
664.30084	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43931	0.7
56.44163	0.4
57.03316	2.8
61.98693	0.4
62.94916	0.3
69.03326	0.3
78.95761	16.7
80.91711	0.3
83.04855	0.4
93.03918	0.4
95.04854	0.5
97.06448	12.2
97.07079	0.7
105.56204	0.4
122.98391	6.3
123.08028	5.5
125.06046	1.4
125.09592	100.0
125.13615	0.9
126.09916	1.1
129.69556	0.5
134.98407	1.0
152.99466	2.2
168.04228	5.0
169.08595	3.0
187.09688	5.2
191.07457	0.4
201.11258	73.1
201.19312	0.8
202.11583	1.2
224.06902	2.9
255.23297	79.9
256.23679	1.6
257.61508	0.4
349.10428	0.5
391.22540	0.9
408.18222	0.5
426.18991	0.9
462.29858	1.0
480.31131	5.5
536.58075	0.4
605.34705	8.9
606.34955	0.5
664.42059	26.2
665.42255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41272	0.1
52.39133	0.3
55.53894	0.1
57.62985	0.1
59.01235	0.6
71.01241	0.3
72.99181	0.2
75.00723	1.4
84.68066	0.2
88.98659	1.1
89.02305	0.4
89.03805	0.3
89.62350	0.1
91.05331	0.2
103.09221	0.2
106.04079	0.2
107.04890	0.6
109.27689	0.2
113.94960	0.2
117.01799	0.2
117.03328	0.2
118.17584	0.2
133.02840	0.9
134.03601	2.8
135.02919	7.6
135.04391	80.3
135.08418	1.0
136.04704	0.8
161.02313	0.5
177.01860	0.4
177.05501	0.2
178.02641	0.3
179.03406	100.0
179.09528	1.0
180.03746	1.1
207.01439	1.2
230.38971	0.2
244.03871	0.2
295.04932	0.2
297.06100	1.3
323.07620	0.4
512.42938	0.3
665.19452	5.9
666.20135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2152
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
52.30880	0.8
57.03303	1.3
58.00468	1.3
58.29087	0.7
59.00075	1.8
59.01242	74.8
59.02537	1.0
64.03403	0.7
65.35003	0.7
69.03316	1.6
70.99693	0.9
71.01240	58.9
72.99162	2.2
73.02805	14.0
81.03316	0.9
82.43837	0.7
83.01250	7.3
85.02808	16.6
87.00733	7.3
87.90076	0.8
89.02296	70.7
91.73426	1.5
94.81252	0.7
95.01249	2.7
96.95918	1.5
97.02800	7.3
99.00739	3.4
101.02301	62.5
113.02307	31.4
115.03869	1.6
119.03361	28.3
119.69543	0.9
125.02369	4.0
129.01779	0.8
131.03368	6.6
132.01405	0.8
133.24239	0.8
141.01816	2.0
143.03380	10.0
149.04424	2.4
159.02940	0.9
161.04448	26.7
161.05753	1.6
179.05524	50.2
184.72903	0.9
185.84863	0.8
191.66307	0.9
220.98314	1.0
221.06622	43.8
221.34660	1.2
255.55696	0.8
263.07800	3.5
271.22269	1.0
281.08752	3.9
323.09888	2.0
341.10892	9.8
383.11972	5.8
485.15186	20.4
665.21539	100.0
666.21851	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07822	0.7
59.01239	4.2
60.13656	0.8
65.12470	0.7
71.01236	1.9
72.00764	3.8
72.29725	0.8
74.02363	1.2
75.96259	0.8
82.02837	1.6
84.04403	1.8
89.02312	1.5
91.05373	2.5
93.03308	1.9
99.05550	1.5
108.02047	1.3
109.02831	0.9
109.03941	5.1
112.03927	1.7
113.02315	1.0
119.03480	0.9
122.03618	6.4
122.04591	1.3
123.04390	22.3
127.05003	20.0
127.99329	1.2
128.03406	100.0
128.07121	1.3
129.05225	1.0
134.03593	1.5
135.04393	39.6
137.02310	2.9
147.04408	15.2
161.04497	1.0
164.07072	49.0
176.32098	1.1
179.03404	40.5
185.06976	0.9
191.16325	1.0
203.05621	1.1
213.10284	2.3
231.11436	2.2
257.09351	7.3
275.10385	21.5
276.44443	0.9
293.11447	63.9
324.83795	0.9
327.10840	1.3
665.19843	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53531	1.3
61.38157	1.5
75.55591	1.4
80.53488	1.5
85.72509	1.4
97.77068	1.3
106.43151	1.3
125.07237	1.6
160.04015	3.1
188.03453	1.9
211.08829	1.9
212.07172	2.8
218.04530	1.7
226.03816	6.6
239.04594	1.9
239.08289	2.3
240.05273	3.1
241.06102	2.2
251.08316	1.5
253.06226	2.0
255.07755	4.4
267.04135	9.4
267.07800	5.0
267.11426	4.6
269.09210	1.8
280.04794	2.5
281.05609	5.2
281.09067	2.0
282.06412	7.1
283.07318	5.1
283.10855	1.9
293.09311	2.3
295.07205	16.3
296.07703	1.8
299.07050	2.4
309.08740	4.4
310.09653	2.5
311.10367	15.4
315.09875	4.2
327.09958	2.2
337.08282	6.3
378.14194	1.8
439.15878	2.0
633.39081	7.1
665.41797	100.0
666.42340	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92759	1.2
59.01229	5.8
63.12516	1.4
74.37521	1.7
93.03324	3.0
96.95851	2.1
108.04451	2.2
111.22294	1.7
117.67158	1.9
136.03922	2.8
136.07509	5.2
148.04015	2.2
150.05511	3.3
161.07079	2.0
187.08653	2.8
203.08357	1.8
213.10236	7.2
214.11044	4.2
215.08240	8.0
215.11847	29.1
231.07716	1.7
232.08485	3.7
239.08107	3.4
241.09799	79.4
242.10367	4.4
259.10889	18.4
285.08801	8.9
286.09607	7.4
286.23529	1.9
303.09875	33.1
347.17386	2.0
391.16901	8.4
409.17328	2.8
452.18466	4.2
470.19373	21.3
483.16830	1.8
500.16791	16.6
512.19989	3.0
649.25031	6.2
667.26257	100.0
668.26422	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88854	2.5
59.01240	4.3
82.02841	9.0
89.02215	3.0
96.76447	2.9
96.95869	8.6
97.40307	2.6
108.04426	5.7
114.16203	3.2
128.03404	22.6
134.42111	3.0
135.02936	3.4
136.07541	5.0
136.39449	2.8
139.02467	3.0
147.03145	4.1
148.03906	26.8
149.04688	8.7
150.05501	31.1
152.07054	3.6
152.91582	3.5
160.03876	3.4
161.04735	8.6
163.02722	3.1
164.03464	11.5
173.03441	8.7
173.04805	3.9
174.04253	33.1
175.05019	11.8
176.05745	3.5
188.14854	3.2
189.06630	16.4
190.07401	49.3
194.92754	5.8
200.07100	5.8
201.07904	8.0
202.07414	11.4
205.37540	3.3
214.11110	6.0
215.08229	6.5
217.09695	3.8
228.06737	4.5
231.07724	30.0
232.08508	63.0
233.09273	7.6
242.08273	5.1
242.10571	4.9
243.07658	4.2
244.08313	19.2
245.06914	4.9
245.09309	6.0
268.08444	3.9
285.09125	5.3
286.09705	16.1
304.10800	5.1
315.13525	14.6
340.12997	8.6
344.89587	3.2
398.17236	21.2
410.17349	10.6
411.14368	4.7
428.18384	4.2
429.16031	3.7
452.18118	10.3
453.16583	7.0
470.19290	100.0
501.17215	15.1
595.24225	6.9
607.24408	5.2
649.25159	15.0
667.26428	80.1
668.26947	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32323	1.5
59.01231	2.1
59.85232	1.8
62.19911	1.8
62.64357	1.8
78.75934	1.9
83.30205	1.9
96.95871	7.2
128.03395	2.1
136.07578	7.8
148.03899	3.1
149.04584	2.2
150.05507	3.9
161.07098	3.0
174.04332	3.8
189.06583	3.4
190.07315	4.5
199.08731	2.7
213.10263	6.0
214.11047	2.7
215.08203	6.1
215.11816	25.5
231.07889	2.9
231.40094	2.6
232.08514	9.0
233.09142	3.4
239.08301	2.6
240.08737	2.3
241.09802	69.6
242.10587	3.9
242.86076	2.1
259.10907	14.5
284.10590	2.3
285.08865	8.0
286.09650	8.0
303.09879	45.0
304.10580	2.9
317.16937	2.5
356.12302	2.5
391.16443	10.5
409.17493	2.9
420.03015	2.8
452.18353	5.9
470.19400	25.9
478.19116	2.4
500.16879	14.3
512.20459	3.7
649.24933	18.7
667.26294	100.0
668.26520	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88268	0.6
59.01237	1.8
78.57748	0.7
82.02846	4.0
82.93919	0.7
90.04888	1.0
94.02870	0.7
96.04372	1.3
96.95836	0.8
104.05414	0.7
108.04385	1.0
112.03900	1.5
120.04405	1.9
121.03928	0.8
124.03902	0.7
129.05400	1.4
135.66046	1.0
135.66885	1.2
136.07558	4.4
138.05426	1.1
139.02670	1.3
142.96825	0.8
147.03127	1.9
148.02809	1.4
148.03935	21.8
149.04692	8.9
150.05482	26.9
154.04977	2.7
160.03932	2.3
161.04700	8.6
162.05487	3.5
163.02628	3.1
164.03450	7.6
166.08626	2.6
173.03474	14.0
173.04819	1.0
174.02771	1.7
174.04245	27.9
174.05522	1.2
175.04991	7.0
175.06328	5.0
176.05774	1.0
177.06653	1.5
186.05473	2.0
187.06284	3.5
188.07060	2.3
189.06604	14.1
190.04942	1.8
190.07379	32.4
190.09055	1.7
191.05771	1.0
191.08159	2.7
192.02992	1.2
199.07458	1.2
200.07109	3.1
201.07838	4.6
202.03688	0.9
202.07095	5.1
202.08783	2.9
203.05981	1.1
203.08150	2.1
213.06525	1.0
213.10249	2.1
214.11079	3.2
215.08162	6.9
216.06778	1.6
217.07402	3.0
217.09776	4.4
227.09651	1.0
228.06628	2.9
230.10486	0.9
231.07709	23.4
232.08496	40.9
233.09274	9.3
241.09822	1.9
242.08191	4.3
242.10445	1.6
243.07347	4.3
243.11348	1.6
244.08221	11.4
245.06856	2.8
245.09282	5.2
246.07535	1.7
247.08586	1.2
257.30035	0.9
259.10913	1.8
261.08786	1.9
262.09515	3.3
267.07687	2.0
268.08444	1.1
269.09131	1.0
285.08810	4.9
286.07040	1.1
286.09631	10.4
287.07648	1.1
287.10483	1.8
289.09457	1.5
303.09872	3.4
304.10602	2.8
315.13495	12.8
337.10684	1.3
340.12927	5.0
356.16040	0.8
369.14401	2.3
384.79697	0.9
398.17200	18.6
409.17566	1.8
410.17139	5.6
428.18521	3.8
434.17245	2.3
449.16010	1.3
452.18353	7.8
453.16388	4.1
461.23163	0.9
467.16901	5.5
470.19348	81.5
471.19604	2.7
496.17703	1.0
503.19394	1.0
547.31476	0.8
561.24133	3.6
573.23694	1.4
591.25055	1.5
615.24615	7.7
633.25720	100.0
634.26068	6.0
657.38043	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.4
61.18595	0.9
62.00372	1.0
62.08513	1.0
71.01231	6.5
73.02812	2.8
78.95737	1.2
85.02814	3.5
89.02282	1.2
96.95883	1.7
99.00730	1.2
101.02309	4.7
108.02052	1.5
109.02855	1.5
113.02341	4.5
121.02812	1.8
122.03603	100.0
123.04398	17.0
125.02237	1.6
128.03433	1.8
135.04388	1.9
137.02309	1.3
137.05989	3.3
159.02835	1.5
161.04431	13.7
165.05466	5.6
171.22438	0.9
177.05493	2.8
200.64360	1.0
279.31277	1.3
285.09756	7.0
329.08801	65.7
330.00003	1.3
330.09033	2.4
453.19836	1.3
592.99133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89108	0.2
55.01753	0.4
57.03320	0.7
58.99882	1.0
59.01243	100.0
59.02419	1.9
60.01565	0.3
62.18666	0.2
71.01241	7.1
72.99172	0.3
73.02807	4.2
75.34768	0.3
76.59996	0.2
83.01241	1.8
85.02809	4.9
85.06484	0.3
87.00714	0.4
89.02310	0.8
91.72655	0.3
95.01299	0.5
96.95843	0.3
99.00752	1.3
101.02304	11.1
113.02309	4.2
123.15423	0.3
129.01794	0.3
133.33711	0.3
143.03447	0.4
159.02971	1.0
161.04446	3.8
249.13428	20.1
250.13782	0.4
254.51042	0.3
291.14514	6.3
291.17477	0.4
507.01599	0.4
534.18896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34530	0.3
53.62030	0.3
58.31820	0.6
59.00055	0.5
59.01241	23.5
61.04765	0.3
71.01237	4.6
71.85540	0.3
73.02798	2.6
81.03318	0.4
82.40720	0.3
83.01217	0.9
85.02824	1.8
91.88091	0.3
93.03314	0.7
99.00748	0.6
100.23798	0.3
101.02294	2.8
106.04111	2.1
107.01954	1.5
107.04884	100.0
107.08203	0.8
107.97713	0.3
108.05226	1.4
113.02305	1.6
116.92680	0.5
118.99229	0.4
119.04869	0.5
121.02804	0.4
123.04356	0.8
130.08614	14.8
133.06479	0.4
140.07097	0.5
146.71956	0.4
151.03893	21.0
160.31129	0.4
161.04449	1.7
161.05963	1.1
191.07027	0.5
197.16489	1.0
203.05525	3.7
212.12881	1.5
213.19720	1.2
230.13980	0.5
233.00751	0.4
257.08020	0.9
257.18698	61.6
258.19119	0.9
311.11478	0.8
355.10333	4.6
382.02924	0.5
606.16254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14723	3.5
55.85463	3.3
71.42873	3.3
74.02325	6.5
104.03397	6.5
107.56805	4.4
110.74874	4.9
110.85085	3.9
122.05989	7.3
148.03929	7.5
217.02461	5.3
239.08212	8.6
241.09778	25.4
252.09154	7.2
253.09875	22.3
254.10687	11.9
255.11249	5.7
267.11469	16.1
268.12167	9.1
269.12985	18.2
281.41934	5.5
295.10889	19.2
326.14944	6.1
338.15140	10.0
370.14255	10.9
400.15173	12.5
549.23676	11.7
610.31097	7.2
654.29205	6.4
672.30304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69033	39.2
57.92584	43.6
59.01228	49.0
61.98688	76.7
88.98013	53.9
96.95889	100.0
99.99757	48.3
106.67657	50.5
109.55271	53.8
213.38510	54.4
230.52486	68.1
276.03522	54.4
326.13647	58.8
402.54959	58.1
628.07715	68.4
701.00000	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
78.53195	68.0
88.49463	66.5
88.85384	87.5
92.53151	66.4
176.60944	96.0
298.26193	97.6
339.11243	84.7
438.42017	100.0
543.62323	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94629	0.3
54.39870	0.3
55.01750	0.4
55.36268	0.3
58.92257	0.4
59.01234	1.0
64.25665	0.3
67.06033	0.3
68.99669	1.6
69.03310	0.6
71.01240	1.6
73.02808	0.9
78.95776	2.6
83.01218	0.5
83.58154	0.4
84.90706	0.3
85.02808	3.2
87.00739	0.8
95.01255	0.6
96.96786	0.4
97.02813	0.5
99.00731	3.2
100.44666	0.3
101.02304	1.2
107.92710	0.4
111.00713	1.2
113.02306	4.4
113.99450	11.3
114.00258	0.7
115.00240	4.1
127.00262	2.2
129.01788	1.6
141.01842	0.4
152.99490	2.3
157.01320	3.8
169.01279	0.9
171.00546	0.9
173.19205	0.4
174.01610	12.0
175.02376	1.1
241.01120	1.1
277.05661	16.5
333.05908	4.8
337.07791	100.0
338.08093	1.7
389.57260	0.4
391.48398	0.4
433.00754	0.4
539.61823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	2.0
58.00445	1.3
59.00145	1.5
59.01242	82.5
59.02452	1.2
61.12367	0.9
61.45745	0.8
63.74921	0.9
66.24350	0.9
66.85992	1.0
69.03307	3.0
71.01238	76.1
71.02835	1.3
72.99146	1.6
73.02802	38.5
75.00723	1.4
81.03311	2.3
83.01246	10.9
85.02806	26.3
87.00734	6.4
89.02296	100.0
90.19350	0.9
91.72777	1.1
95.01239	6.8
96.95882	1.4
97.02801	16.9
99.00719	4.0
100.06602	1.1
101.02302	99.3
103.03831	2.9
113.02305	44.2
115.03864	4.0
119.03365	40.1
125.02288	4.4
127.85907	1.0
128.03384	1.4
131.03372	7.5
135.02834	1.4
135.34419	1.0
141.01790	1.9
143.03375	15.5
149.04425	3.3
161.04448	47.0
163.03790	1.5
179.05525	85.4
179.97604	1.0
185.04515	2.8
203.05644	1.1
221.06612	52.5
263.07721	2.5
268.87402	1.1
281.08835	7.8
323.09778	2.9
341.10880	25.7
383.12006	63.1
384.12546	1.2
425.12924	4.7
589.19952	60.4
675.23535	41.9
676.23535	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51368	1.4
53.27608	1.7
57.03303	2.8
59.01241	85.1
60.03905	1.8
69.03325	4.7
71.01239	71.9
72.99149	2.8
73.02802	34.6
81.03295	2.1
83.01241	8.7
85.02792	23.9
87.00743	5.7
89.02297	100.0
95.01256	6.2
97.02789	11.8
99.00765	4.2
101.02306	93.1
103.03880	2.0
106.58360	1.9
113.02302	48.3
115.03851	2.7
119.03372	47.6
119.04165	3.7
119.04867	2.4
125.02327	5.8
128.35710	1.7
129.84584	1.7
131.03415	6.7
133.56863	2.0
135.02892	3.1
137.99614	1.7
141.01913	2.5
143.03377	15.2
145.46208	2.1
146.26044	1.8
161.04436	44.1
161.05782	2.3
179.03946	4.5
179.05527	94.7
214.92528	1.8
221.06630	50.6
245.06831	2.1
281.08856	7.7
290.90671	2.2
305.54065	2.1
323.10052	3.7
336.95059	1.9
341.10928	32.4
383.12000	67.2
406.42883	2.0
420.88583	2.1
553.68408	2.6
588.80859	2.7
589.19971	64.9
675.23553	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65958	1.2
59.01243	42.2
61.98661	1.6
69.03301	2.4
70.77763	1.3
71.01243	31.6
73.02809	7.6
80.82736	1.2
81.03295	2.8
83.01263	3.3
85.02795	7.1
87.00762	7.2
89.02298	39.1
95.01225	1.6
97.02826	5.2
101.02299	32.6
105.19173	1.4
108.83640	1.5
113.02287	14.2
119.03378	11.1
121.47844	1.4
124.96477	1.5
125.02307	10.2
131.03380	2.1
143.03372	6.1
154.63351	1.5
161.04431	9.4
179.05554	6.8
184.79993	1.6
189.62885	2.1
221.06775	2.1
235.08264	12.2
253.09331	3.3
263.07822	1.8
277.21729	100.0
287.07892	2.8
305.08777	3.2
397.13525	73.3
415.14667	31.6
671.03589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	1.4
59.01242	100.0
71.01240	23.5
73.02803	51.1
74.06236	1.4
75.07699	1.6
78.65600	1.6
80.04922	2.3
83.01243	13.2
84.11688	1.4
85.02779	3.2
89.02290	9.2
90.96584	1.6
94.06509	2.9
97.02799	1.8
101.02303	47.4
102.29469	1.5
113.02308	17.7
119.03373	5.5
120.01115	4.0
125.02269	2.6
128.03447	2.1
130.08643	12.7
131.03398	5.6
140.07060	41.7
142.08574	1.5
143.03412	6.8
149.04451	9.5
153.13663	1.9
160.52791	1.8
161.04448	17.7
165.52647	1.8
198.14969	3.3
203.05595	2.5
218.95229	1.6
221.06706	6.5
226.14413	15.9
243.21121	1.8
255.17107	1.9
271.20285	2.2
300.78473	1.8
500.66388	2.3
535.62177	1.9
662.12354	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84649	39.1
63.83502	37.1
91.72720	100.0
108.26869	47.5
128.93425	41.0
193.39273	43.3
195.72791	50.4
224.00983	49.4
474.60025	52.3
612.64282	52.3
662.71106	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29174	56.0
54.37084	55.7
67.69952	53.7
70.42976	52.9
105.68065	61.3
119.66106	64.2
132.30087	56.9
137.63466	72.0
139.77568	72.0
155.50456	64.0
161.81361	62.2
175.83640	69.9
218.14027	61.0
219.65843	64.2
255.23335	100.0
541.63818	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78465	1.7
59.01241	43.7
66.90759	1.9
69.03310	2.6
71.01240	28.8
72.58615	1.8
73.02804	6.0
78.95757	2.1
83.01246	4.0
85.02815	5.4
87.00729	8.0
89.02302	30.2
91.03874	2.6
96.12013	2.1
97.02796	5.3
101.02306	30.1
113.02302	13.7
118.99114	4.5
119.03389	8.7
125.02296	9.0
125.03117	2.5
141.01874	2.6
141.42590	2.2
143.03340	4.8
147.31474	2.7
152.05246	2.3
160.91547	2.6
161.04445	4.9
179.05566	5.9
211.99641	2.9
235.08159	13.7
253.09259	5.2
279.23331	100.0
287.07755	3.6
305.08743	2.9
397.13510	69.6
415.14618	28.3
443.55569	3.1
505.28491	2.8
524.70068	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02455	0.6
55.01740	0.8
57.03302	1.8
59.00065	0.8
59.01243	43.1
59.02249	0.8
63.38469	0.6
63.62888	0.7
69.03318	1.8
71.01241	31.4
72.99158	1.6
73.02799	4.5
75.00751	0.7
78.95771	1.0
80.16159	0.6
81.03314	2.0
82.60816	1.4
82.61228	0.7
83.01238	4.1
83.41870	0.6
85.02808	6.7
87.00740	7.7
89.02301	32.0
95.01246	1.8
97.02813	4.5
99.00739	2.4
101.02304	26.4
111.04376	0.7
113.02307	12.8
119.03368	8.7
125.02326	11.2
127.03807	0.8
131.03325	1.7
133.04843	0.9
139.03981	0.8
143.03416	4.8
156.26768	1.0
161.04442	7.0
167.03444	0.8
172.54347	0.8
179.05544	5.5
202.15839	1.1
221.06685	2.0
235.08224	11.3
253.09250	3.0
263.07816	1.7
279.23309	100.0
280.23639	1.6
287.07770	2.7
305.08704	3.4
323.09857	1.3
379.12363	1.1
397.13541	70.1
398.13766	1.1
415.14627	28.0
627.09802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01043	66.8
55.68523	62.3
56.69630	64.4
68.62975	66.2
72.85439	66.0
76.23627	86.9
91.12787	77.0
92.52558	69.4
96.46178	72.4
97.90572	81.7
122.67040	81.7
150.05493	82.9
163.73401	81.0
176.03465	100.0
252.20087	89.6
254.62239	93.6
256.41861	84.3
256.53137	89.3
295.89703	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60759	0.5
53.53396	0.5
53.59593	0.5
59.01228	1.6
68.99660	1.3
69.42932	0.5
71.01241	3.1
72.00758	1.9
73.02796	1.1
78.95736	0.9
83.01236	1.0
85.02788	3.2
87.00699	2.8
87.19157	0.6
89.02281	1.3
89.03425	13.1
96.80123	0.6
99.00741	2.9
101.02290	1.4
111.00751	1.4
113.02323	3.8
113.99454	10.0
115.00240	8.3
115.01376	0.7
116.65770	0.6
127.00215	0.8
129.01823	1.6
129.45561	0.6
132.04025	10.5
157.01379	2.8
169.01308	0.8
169.63760	0.6
174.01595	12.7
175.02388	9.2
175.04617	6.6
179.87585	0.6
226.41833	0.6
254.72652	0.7
277.05661	15.9
278.05927	0.6
293.08728	1.0
315.20255	0.7
337.07785	100.0
338.08182	2.9
340.09109	0.6
480.42493	0.7
599.20825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38930	0.7
59.01233	3.1
61.14292	0.6
61.51852	0.7
69.67704	0.7
71.01231	2.3
72.00769	3.3
74.02319	1.4
77.77556	0.7
81.70845	0.7
87.03646	0.7
89.02294	2.6
91.05362	1.5
91.73330	1.2
93.03311	48.5
101.02306	2.7
108.02026	0.9
109.03960	2.8
109.61633	0.8
113.02310	1.2
117.34336	0.8
119.03355	1.7
122.03656	0.8
122.04617	0.8
123.04390	2.0
125.02301	1.1
127.04998	15.5
128.03406	64.6
128.07545	0.9
134.03609	16.9
136.98184	1.4
137.02319	100.0
137.05942	3.0
138.02737	0.8
147.04405	10.9
149.05968	3.4
151.03938	2.3
161.04417	1.3
164.07069	30.8
178.02640	10.3
179.03329	1.7
179.05540	5.6
193.04996	22.6
213.10394	1.6
221.06650	2.7
240.91203	0.8
252.87469	0.9
257.09283	5.9
273.72687	0.8
275.10428	15.8
293.11432	41.1
341.08911	1.5
400.57217	0.9
407.11905	1.5
485.15106	2.3
619.95935	0.9
688.24298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	0.9
59.01239	10.1
71.01235	7.6
72.00759	2.1
73.02799	1.8
74.02329	1.7
82.02856	1.1
85.02793	2.1
87.00745	1.7
89.02304	12.6
91.05421	1.4
93.03313	56.0
93.05639	1.0
99.00734	2.0
101.02296	9.3
109.03921	3.3
113.02312	3.8
119.03374	4.7
121.02829	1.8
123.04447	1.1
124.02703	0.9
125.02333	1.7
127.05003	14.2
128.03406	64.7
128.07149	1.2
131.03381	1.4
133.02841	1.7
134.03609	54.3
134.07628	1.0
137.02319	100.0
138.02631	0.9
138.97911	0.9
139.03902	3.1
143.03371	1.8
146.68391	0.8
147.04402	10.7
149.05981	13.7
150.03136	1.1
161.04485	2.1
164.05685	1.6
164.07056	30.9
178.02623	36.0
179.03258	1.3
179.03815	1.1
179.05518	16.4
193.04985	82.9
194.05515	1.0
213.10411	1.4
221.06625	9.6
230.06532	1.0
257.09308	5.9
263.21619	1.0
275.10382	13.6
276.10852	1.2
293.11441	37.6
341.08987	1.1
383.12006	1.5
407.11905	5.7
485.14957	5.9
517.53766	1.1
552.61279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	11.3
68.16792	0.6
71.01235	8.8
72.00756	0.9
73.02792	1.9
79.19763	0.7
83.01247	1.2
85.02812	2.4
87.00741	1.5
89.02298	14.0
93.03319	20.6
97.02810	1.2
99.00745	1.1
101.02299	10.4
106.04169	0.8
108.02045	0.6
109.02823	0.8
109.03918	1.2
112.18004	0.6
113.02320	5.3
119.03372	5.9
121.02822	1.9
123.04388	2.5
125.02331	3.5
127.05003	4.8
128.03409	24.9
133.02821	1.7
134.03616	57.2
136.98586	0.8
137.02324	46.4
138.02658	0.7
139.03853	2.7
143.03358	1.9
147.04370	4.0
149.05954	15.1
150.03073	0.7
151.03897	1.1
161.04468	3.5
164.07082	11.7
167.03525	0.7
171.09178	1.0
178.02635	41.0
178.08647	0.7
179.05534	20.5
193.04994	100.0
194.05371	0.9
221.06609	9.6
257.09335	1.7
270.27148	0.7
275.10406	5.4
281.08914	1.0
293.11456	13.6
383.11835	1.9
407.12000	6.5
485.15289	7.9
677.89551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2098
Annotation	Scabran G3
Peak:m/z	Relative Intensity
54.34731	1.1
59.01235	9.5
61.50910	1.3
67.29762	1.2
71.01233	6.9
73.02802	2.2
84.98032	1.4
85.19998	1.2
85.75766	1.2
87.00729	1.5
89.02299	11.8
91.72694	3.0
96.95881	16.1
101.02316	7.0
113.02316	5.5
119.03373	5.2
121.02823	2.2
125.02239	1.5
128.03413	2.0
133.02834	2.8
133.99556	1.6
134.03610	85.4
134.08504	1.4
137.02357	9.4
149.05957	22.5
168.41609	1.7
178.02631	49.1
179.05487	11.7
193.04987	100.0
221.06528	7.1
287.40488	1.6
382.64166	1.8
407.11981	4.7
485.15268	4.4
654.62732	1.8
679.20917	40.2
679.31860	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18903	1.0
58.99991	1.3
59.01241	100.0
59.02383	1.8
59.47388	1.0
60.84644	0.9
61.98702	1.5
71.44355	1.1
94.75397	0.9
121.02825	1.7
141.01575	65.7
151.38670	1.1
169.12271	2.0
274.90726	1.3
275.06323	1.7
280.59323	1.3
303.23254	2.0
315.55240	1.3
339.84262	1.2
385.23038	2.8
417.21872	1.4
470.69086	1.3
561.29694	2.2
564.59247	1.4
681.38531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19117	1.5
57.45498	2.1
59.01252	2.4
77.60278	1.9
90.31807	1.7
125.45428	1.7
127.22288	1.9
156.87988	2.2
227.04726	2.7
227.08281	6.7
238.05112	3.1
240.05421	5.6
241.03888	2.5
243.07718	5.8
255.07668	6.8
256.04974	4.6
256.08740	2.5
266.06985	4.3
267.07745	5.5
269.09064	2.3
271.07285	33.7
272.07816	3.3
279.07700	3.8
281.05417	2.9
283.07288	7.7
293.05554	11.0
294.06430	6.9
296.04327	3.5
297.08780	3.7
299.06882	11.6
308.08078	4.5
309.09097	4.0
311.06732	14.3
319.23206	2.5
331.09213	11.5
343.09433	4.3
385.10406	8.2
398.74500	2.5
590.57672	2.5
631.37097	3.0
643.69714	2.6
681.41248	100.0
682.41693	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03312	1.0
58.02851	2.4
58.99934	1.0
59.01242	88.3
59.02390	1.7
59.95127	0.4
65.15112	0.4
71.01237	7.3
72.99165	0.5
73.02805	6.7
83.01244	6.5
84.60946	0.4
85.02801	4.4
89.02302	1.4
95.01263	0.8
96.95885	1.3
97.02798	0.5
97.64017	0.4
99.00748	1.2
100.03905	2.6
101.02302	12.6
105.01808	1.2
113.02309	4.9
119.03372	1.4
125.02317	0.6
142.04979	2.5
143.03363	1.3
147.84918	2.4
159.02919	0.6
161.04456	2.5
331.21106	0.7
333.19183	4.0
357.19138	1.5
362.80392	0.5
375.20267	6.7
381.19211	1.4
393.21326	4.8
399.20505	3.1
417.21350	12.9
435.22379	100.0
436.22662	4.7
441.21243	6.7
477.23380	1.4
519.24530	1.0
655.53333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27033	0.2
55.01751	0.7
57.03315	0.7
57.17918	0.2
58.02843	1.0
58.99983	1.4
59.01242	84.5
59.02335	1.2
60.01575	0.3
61.62544	0.2
62.32529	0.3
64.44781	0.3
65.70917	0.3
69.03304	0.7
71.01237	7.5
73.02801	5.9
75.00755	0.4
83.01237	6.2
85.02808	4.7
85.99957	0.5
87.00745	0.6
89.02287	1.6
95.01270	0.7
96.95847	0.6
97.02827	0.4
99.00745	1.2
100.03911	1.7
101.02302	13.5
101.04762	0.3
105.01811	1.0
111.00761	0.5
113.02299	4.2
119.03370	1.6
125.02340	0.5
129.01834	0.3
142.04997	2.0
143.03403	0.8
147.84959	1.6
148.52803	0.3
159.02924	0.6
161.04446	2.0
171.13795	0.4
305.73367	0.3
315.18256	0.6
316.55316	0.3
331.21304	1.0
333.19275	4.1
357.19229	1.4
375.20248	5.6
381.19321	1.1
381.74332	0.4
393.21332	3.9
399.20340	3.9
417.21301	13.2
431.22626	0.4
435.22375	100.0
436.22476	3.0
441.21344	6.9
459.22482	0.4
477.23502	1.1
519.24658	0.8
682.28375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	60.3
62.80577	63.9
70.77697	56.0
94.66058	80.4
99.90637	64.7
102.24175	54.9
121.74325	61.9
129.29654	71.5
249.99045	76.4
285.87265	72.2
371.72940	78.7
397.13278	100.0
572.17444	85.8
648.67578	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80241	16.7
59.01257	21.9
66.24963	14.8
66.46281	15.6
68.25200	16.7
71.51481	16.2
96.43718	17.2
115.37652	17.3
145.61475	18.4
148.64943	18.7
251.20332	70.0
338.03555	23.2
356.36047	20.4
386.39188	21.3
397.13522	100.0
415.14624	34.2
443.02594	20.0
478.20926	21.6
492.37308	21.0
540.83771	21.2
685.32428	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17399	3.2
51.51439	3.4
56.50298	3.1
57.68298	3.4
58.71041	3.9
69.92370	3.3
70.38104	3.2
74.02349	4.5
74.25060	3.3
78.53866	3.7
80.11662	3.6
91.12433	4.0
110.62228	4.0
128.03421	12.1
148.03947	4.3
152.73914	4.3
185.06346	5.6
221.16359	4.1
227.99638	4.2
233.98900	3.9
238.59239	4.2
239.11923	11.7
247.25197	4.2
344.10373	7.2
344.14206	5.8
360.13403	19.9
372.13589	7.7
374.15140	14.0
388.16696	8.9
414.14600	5.2
457.18857	9.2
511.43915	4.7
519.19153	9.6
520.19220	8.2
624.28003	6.0
632.04907	5.3
656.27667	8.2
686.28406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26868	3.3
50.67167	3.1
50.86204	3.0
59.01238	13.2
71.01228	29.2
73.02802	11.3
83.01225	4.2
85.02819	8.8
89.02308	6.6
97.02763	3.8
101.02306	11.1
103.85656	4.3
107.04908	31.0
113.02335	9.5
115.05107	4.1
119.04926	5.3
125.02316	26.4
151.03938	26.6
156.40640	3.9
161.04385	9.8
234.64346	5.3
238.92062	3.9
313.09296	24.5
319.25906	5.6
323.13501	15.4
323.28134	31.7
349.06973	100.0
349.11215	6.6
373.27524	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88726	0.6
54.88907	0.5
59.01247	1.0
72.00758	1.3
74.02332	8.0
75.51305	0.6
84.04396	1.3
86.02326	1.4
91.73348	1.1
94.02871	1.1
96.04399	2.3
96.95890	1.2
100.00260	2.7
102.05460	1.0
104.03402	7.7
116.03384	2.2
120.04400	1.4
122.02363	1.4
122.05981	6.3
126.74100	0.7
128.03386	1.3
130.01363	1.0
136.07544	1.1
138.05518	0.8
147.03156	0.8
148.03943	8.0
150.05487	2.7
176.07024	1.1
198.09303	1.0
199.08455	0.8
200.07141	0.9
208.11342	0.9
211.08653	1.3
213.10301	1.2
217.22095	0.7
224.09335	1.5
224.11243	0.8
225.10341	1.7
226.07515	2.6
226.12326	2.9
227.08244	2.6
227.11783	1.8
229.09787	1.0
238.07397	1.7
239.08174	5.2
239.11893	1.1
240.09045	6.5
241.09793	25.2
241.13461	1.4
251.08199	1.6
251.11942	2.2
252.08769	7.7
253.09805	23.9
254.10510	7.2
255.11404	4.2
265.09869	1.7
266.10651	1.6
267.11411	16.4
268.12167	5.1
269.12994	17.0
277.09784	1.6
278.30386	1.0
279.07642	1.1
280.08524	1.9
281.09186	2.3
293.09320	2.1
294.10043	2.2
294.45679	0.9
295.10913	21.9
295.14090	1.4
296.11176	1.3
311.12930	1.0
311.55103	0.9
313.12033	4.0
324.13544	2.0
325.14310	1.1
326.15063	5.5
336.13571	2.8
337.14267	4.8
338.15121	13.0
339.15573	0.8
354.14563	1.7
355.15442	2.5
356.16324	3.5
360.13879	0.8
362.15207	3.3
364.16476	0.9
370.14066	10.5
374.14951	1.1
376.16638	2.0
390.17880	0.9
400.15134	19.7
409.24048	0.8
416.16138	2.0
434.20871	2.5
459.20532	2.1
461.21548	1.4
491.19644	1.4
502.61398	0.7
503.23322	2.3
521.20660	2.8
522.21765	0.8
523.21777	1.0
525.69366	0.7
533.88013	0.7
544.18365	0.8
565.22998	10.7
583.25970	2.8
601.26868	3.9
626.29834	4.5
633.36292	0.8
644.32556	2.6
658.29047	6.3
670.28857	5.0
688.29944	100.0
689.30682	5.2
708.26147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29138	0.5
59.01228	1.4
63.26166	0.7
63.41243	0.5
71.01237	1.1
72.99166	0.9
73.02805	4.0
75.00739	8.3
77.96033	0.5
87.00729	7.3
89.02293	2.0
90.58162	0.7
117.01799	12.9
117.03253	0.7
119.04891	41.3
135.02869	46.8
138.24434	0.6
145.02863	1.4
155.06258	0.6
162.98138	1.2
163.03905	100.0
164.04243	1.3
176.08994	0.7
177.05537	0.9
204.28819	0.7
271.20520	0.7
271.32257	0.7
281.06686	24.5
282.06903	0.7
308.53085	0.7
326.73434	0.7
369.92737	1.0
478.28427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93813	5.0
59.01268	21.9
59.49902	5.8
61.98701	9.0
71.01253	18.9
72.46250	5.5
77.23909	6.0
89.02319	12.3
101.02349	9.7
113.02333	10.8
134.72737	7.6
188.97800	6.8
230.38933	6.8
235.08308	7.2
255.23303	64.1
255.25320	6.3
397.13477	100.0
415.14688	17.3
538.73523	7.9
547.80450	7.5
556.21844	8.2
576.50128	7.8
621.39435	7.5
653.38135	28.5
689.35327	75.2
717.17297	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17876	1.0
57.03333	3.6
59.01260	1.2
61.31452	0.9
69.03325	3.3
77.42749	1.1
78.95754	16.9
83.04896	1.4
97.06435	7.9
100.12300	1.0
122.98378	6.3
133.10130	1.4
134.98500	1.3
138.72914	1.2
149.00069	1.1
149.78049	1.2
151.11171	100.0
152.99449	6.0
168.04179	5.6
169.12328	4.8
195.10231	5.6
213.11302	9.9
224.06920	3.4
227.12798	8.2
255.23297	75.2
391.22882	1.5
414.72171	1.3
480.30844	6.0
631.36328	8.2
690.43622	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57650	0.7
59.01241	13.2
59.33033	0.7
60.68460	0.7
69.70407	0.8
71.01237	8.2
71.01520	0.7
76.55096	0.9
83.01294	0.7
85.02827	2.4
87.00765	1.1
89.02299	8.2
89.02752	0.7
93.03319	1.6
99.00758	1.1
101.02319	6.2
113.02351	2.0
117.03332	1.4
118.80805	0.7
119.03456	3.9
119.04890	86.6
120.05281	1.3
145.02853	10.9
159.02841	1.0
163.03903	100.0
164.04350	1.1
279.07150	6.2
297.08203	1.1
306.92349	0.9
367.10388	18.0
605.17639	1.9
647.18311	20.0
647.28357	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46305	0.5
59.01240	2.6
65.42554	0.4
65.55650	0.4
71.01238	1.4
72.32327	0.4
73.02773	0.7
78.43908	0.5
79.89075	0.4
83.01263	0.5
83.44496	0.4
85.02796	0.8
87.16777	0.4
89.02322	0.9
90.72754	0.7
91.72729	1.0
96.95869	2.2
99.00709	0.5
101.02303	0.6
113.02303	0.8
119.01589	1.4
119.04893	100.0
119.08634	1.0
120.05215	1.2
128.03433	1.2
135.02858	1.2
162.98618	1.0
163.03906	72.5
164.04263	1.0
211.97253	0.5
236.83076	0.5
271.20319	1.1
361.15002	1.4
365.10703	1.2
405.17117	0.8
416.50168	0.5
421.18256	0.5
430.79025	0.6
529.15619	20.2
605.17316	0.9
647.18335	12.4
648.18921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54581	0.6
55.01751	1.1
55.50090	0.6
57.03301	0.6
59.01242	46.3
66.63288	0.9
66.99233	0.8
70.74595	0.7
71.01235	15.4
72.00775	1.7
72.99174	0.8
73.02802	13.6
74.02326	12.8
79.93747	0.8
81.02074	1.1
81.03263	0.9
83.01240	2.9
85.02808	6.0
89.02288	8.4
91.73044	1.8
96.95871	1.9
97.02848	1.0
101.02293	13.0
102.05476	7.4
104.03394	17.9
104.04057	1.2
113.02306	6.2
119.03397	3.2
121.02206	1.2
128.03415	6.3
128.54066	0.7
130.12161	0.8
131.50977	0.9
146.04459	3.9
161.04454	1.1
179.05403	0.9
196.99399	1.0
207.25587	0.9
235.47119	1.0
519.26013	1.5
562.29871	1.3
606.29401	3.8
618.29028	8.9
630.29523	1.7
648.30341	100.0
649.31116	2.2
692.32678	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.7
57.03321	1.1
58.99940	1.0
59.01242	66.1
59.02399	1.4
61.98718	0.4
71.01241	20.4
72.00770	2.3
72.99161	1.0
73.02803	13.3
74.02331	13.9
83.01241	4.2
85.02806	7.4
85.03302	0.6
86.02321	0.9
87.00755	1.2
89.02295	10.5
89.02834	0.6
95.01234	1.3
96.95869	0.7
97.02826	0.5
99.00747	1.1
100.00304	0.5
101.02307	14.8
102.05468	4.6
104.03398	22.8
113.02315	10.7
119.03395	4.1
121.02198	1.9
128.03386	3.6
143.03401	1.4
146.04480	4.4
161.04462	1.2
175.00652	0.6
175.04836	0.6
179.05518	0.5
213.10506	0.5
254.13278	0.5
277.19699	0.5
313.21698	0.7
346.42474	0.5
364.22958	0.7
375.19342	0.6
426.22711	0.6
498.77649	0.6
506.90524	0.6
526.28131	0.9
544.29181	2.6
562.30231	1.0
576.27716	0.6
606.29211	1.5
618.29272	11.2
630.28827	2.8
648.30341	100.0
649.30524	3.8
692.33606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04889	3.3
59.01009	3.9
59.01241	44.6
59.67869	3.2
61.79973	3.1
71.01243	13.6
73.02801	16.7
74.02318	11.9
83.01244	5.2
85.02802	7.5
89.02306	5.8
96.95895	4.9
101.02318	10.6
102.05466	17.3
104.03381	19.0
105.05396	4.5
110.75172	3.7
113.02306	9.2
125.87646	3.9
128.03394	17.8
130.79637	3.9
134.77138	3.7
142.82141	4.1
146.04454	13.8
230.19940	4.0
287.76251	4.1
588.42297	5.0
648.30298	100.0
649.31195	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	38.5
71.01230	10.2
72.00786	4.9
73.02803	16.7
74.02328	24.0
78.95769	1.9
80.07122	1.4
83.01261	4.6
85.02821	4.3
89.02330	4.9
89.77920	1.5
95.03654	2.3
96.95901	6.7
98.13376	1.3
99.63897	1.6
101.02313	11.4
102.05466	22.8
104.03399	47.7
104.04046	2.9
113.02354	3.4
116.42939	1.5
119.03381	1.9
128.03416	16.3
128.04288	1.7
142.36830	1.6
146.04482	20.3
154.35921	1.8
155.91350	1.6
168.89632	1.5
181.07330	1.6
315.68317	1.9
519.25970	1.9
606.29584	4.8
618.29504	5.8
624.21069	1.9
648.30322	100.0
649.31268	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31023	1.0
55.01737	1.2
59.01240	28.0
61.95866	0.9
67.68558	0.9
71.01235	10.7
73.02798	14.1
74.02333	5.8
83.01247	4.2
84.04410	2.1
85.02818	3.0
89.02293	5.1
95.03641	2.4
100.03908	3.6
100.58641	1.1
101.02295	11.0
102.05466	46.4
104.03401	4.0
113.02298	5.2
123.28016	1.1
128.03404	29.0
136.07588	1.3
146.04482	28.6
181.07318	2.8
225.06490	1.4
289.46866	1.2
382.23770	2.7
519.25665	6.0
604.31366	3.6
606.29791	2.7
630.29260	5.0
641.54236	1.3
648.30261	100.0
649.31018	3.9
664.54346	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08620	0.3
55.01734	0.4
55.36478	0.2
56.05788	0.3
57.03313	0.3
58.00473	0.4
58.36881	0.3
59.00011	0.5
59.01242	31.7
59.02340	0.5
60.99164	0.6
63.62900	0.2
71.01239	9.6
72.00764	2.1
72.18133	0.3
72.99158	0.4
73.02804	9.3
73.03204	0.6
73.23689	0.3
74.00593	0.9
74.02328	54.9
76.83318	0.3
83.01238	2.3
84.04440	0.4
85.02811	3.7
85.36463	0.3
87.00736	0.7
89.02298	5.5
95.01232	0.7
96.95898	0.4
97.41773	0.3
99.00736	0.5
100.00293	0.4
101.02302	9.6
104.03391	14.2
113.02297	4.1
117.19580	0.3
119.03358	1.5
120.85994	0.5
125.02319	0.5
131.03354	0.5
143.03340	0.4
168.59163	1.1
170.20905	0.3
196.70708	0.3
202.47034	0.3
213.16525	0.4
236.05351	0.3
238.02301	0.3
398.23206	0.4
416.24536	0.6
423.55386	0.3
560.28595	1.1
563.28448	0.7
578.29797	2.2
602.30365	1.0
608.30902	1.7
620.30756	9.6
621.31757	0.4
632.30450	1.9
650.31866	100.0
651.32166	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39223	0.5
59.01244	17.8
78.95762	9.8
83.04897	0.8
90.95869	0.7
111.08018	3.4
113.09575	2.8
122.41870	0.7
124.20538	0.7
132.21149	0.6
139.07559	2.7
150.17604	0.9
152.99475	1.1
157.08601	100.0
158.08968	1.5
168.04248	3.8
171.10185	8.1
223.11058	0.7
224.06860	2.8
255.23299	44.4
256.23587	0.9
340.52679	0.8
349.31790	0.7
389.12155	0.8
462.29562	1.2
480.30695	5.6
480.66608	0.9
620.39398	32.3
621.40253	1.7
634.40857	2.6
695.36963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87703	3.6
53.22070	4.3
59.00967	8.1
59.01241	100.0
61.85221	4.0
63.54830	4.9
68.99683	4.5
71.01240	72.4
72.99184	4.7
73.02803	15.7
83.01228	13.5
85.02800	38.1
87.00732	9.2
87.61376	4.6
89.02297	72.5
96.95853	4.8
97.02792	9.4
99.00735	19.5
101.02312	57.5
106.75221	5.7
113.02309	49.6
119.03358	29.4
122.03603	21.0
123.04396	46.0
125.02273	7.9
131.03378	5.7
135.33858	5.2
137.02272	8.5
141.38177	5.3
143.03374	14.9
161.04478	26.9
179.05502	30.9
221.06633	49.7
263.07599	7.1
359.27859	5.3
394.59451	5.7
485.15302	10.0
527.16248	22.2
609.20258	46.7
651.21625	72.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49115	0.5
57.49627	0.6
59.00140	1.7
59.01241	100.0
59.02477	1.3
76.36034	0.5
78.95759	7.7
79.95605	0.7
80.96377	6.8
83.69581	0.6
94.97943	1.2
96.93218	0.6
107.71163	0.6
108.13643	0.5
117.50335	1.4
119.98973	0.7
125.09633	0.8
132.38062	0.7
170.97774	0.7
201.66109	0.6
205.15936	1.1
225.00545	1.0
448.04044	0.7
653.29047	0.8
695.30573	39.5
696.30505	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31115	2.1
52.22366	2.1
59.01245	3.7
75.47133	2.5
82.02814	6.6
82.54611	2.6
85.77712	3.3
88.69321	2.6
109.30958	2.6
113.22438	2.7
120.04446	5.0
120.27487	2.7
130.97977	3.4
136.07530	5.2
145.69844	2.6
148.03923	22.2
149.04707	8.7
150.05486	21.7
159.42537	3.1
161.04683	10.6
163.02652	4.4
164.03410	10.9
173.03481	10.1
174.04224	23.1
174.05521	4.6
175.05061	8.5
175.06360	6.8
186.05562	3.7
186.39494	3.1
188.07155	3.4
189.06589	15.3
190.07368	33.3
191.08255	3.1
200.07063	4.1
201.07803	4.8
202.07336	4.5
203.08286	3.5
214.11107	4.3
215.08243	5.5
217.09743	3.9
228.06636	4.9
231.07748	25.8
232.08508	46.4
233.09273	8.0
241.09872	4.5
242.10625	3.7
243.07726	4.9
244.08617	13.4
245.09200	5.6
268.08667	4.1
285.08853	4.1
286.09616	7.8
303.09833	3.8
315.13638	12.7
340.13074	5.0
398.17188	15.7
410.17044	5.7
428.18250	4.7
450.03116	3.3
452.18234	10.5
453.16507	5.5
470.19397	93.8
561.23596	5.0
615.24805	10.1
633.25696	100.0
634.25507	5.5
664.45050	4.0
716.73700	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	4.6
64.63651	2.0
66.06414	2.2
71.74815	1.9
79.05464	2.4
82.02834	5.8
89.34142	2.1
91.72611	2.4
96.35926	1.9
96.95872	54.8
108.22663	2.2
120.04401	2.7
129.05423	2.7
132.25893	2.3
134.55002	2.7
136.07602	5.6
148.03899	21.2
149.04706	6.9
150.05489	25.2
160.03893	3.1
161.04738	10.9
162.05463	2.9
164.03418	6.0
166.08760	2.4
173.03448	14.9
174.04257	25.1
175.05043	10.9
175.06322	5.2
186.05495	2.7
187.06248	4.4
188.07004	3.5
189.06641	14.8
190.07379	33.2
191.08228	3.2
200.07152	3.8
201.07866	4.4
202.07254	5.1
213.10213	2.7
214.11032	4.3
215.08150	4.6
217.07436	2.8
217.09848	6.5
228.06686	4.1
231.07697	23.0
232.08492	37.5
233.09273	6.4
239.08902	2.6
242.08231	3.7
244.08543	10.3
245.09213	6.7
263.65686	2.7
285.04071	2.9
285.08890	3.8
286.09711	11.2
303.09744	3.0
315.13437	13.6
340.12973	4.6
356.16193	2.9
370.78897	2.9
398.17117	16.0
410.17297	6.8
452.18185	7.9
453.16583	3.8
467.17126	6.6
470.19360	90.1
471.19507	2.9
561.23370	5.8
615.24799	6.9
633.25665	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64798	1.5
59.01237	5.2
60.93338	1.5
82.02847	4.5
100.19987	1.8
120.04417	2.2
124.03917	2.1
136.07552	8.4
136.72403	1.9
148.03931	26.8
149.04727	6.9
150.05498	24.4
154.05002	2.8
160.04001	2.4
161.04707	8.0
162.05528	2.8
164.03418	9.2
166.08611	3.7
173.03435	12.4
174.04257	25.9
174.05588	3.4
175.05019	10.7
175.06363	6.1
181.62762	2.0
187.06403	2.8
189.06639	15.4
190.07399	35.3
191.08145	4.8
200.07106	3.0
201.07889	3.2
202.07391	2.8
203.08284	2.5
215.08333	3.6
217.07451	4.1
217.09778	4.1
231.07744	25.4
232.08507	45.0
233.09343	10.5
241.09767	3.8
242.08208	3.4
242.10568	2.8
243.07738	2.7
244.08640	10.1
245.07024	3.2
245.09364	7.8
246.07593	2.1
259.10855	2.7
261.08893	2.0
262.09607	2.9
263.10461	2.8
271.08112	2.4
285.08902	3.4
286.09662	11.6
304.10574	2.9
315.13501	13.9
337.10950	2.6
340.12869	5.0
369.14056	2.1
385.64200	2.3
398.17276	21.7
409.17929	2.8
410.17178	5.5
428.17993	4.1
434.17133	3.2
449.16046	2.7
452.18088	10.9
453.16687	2.9
467.16791	4.0
470.19357	90.7
471.19183	3.1
472.66260	2.6
544.75208	2.2
561.23694	5.9
615.24603	6.9
633.25720	100.0
634.26196	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08142	0.7
55.59985	0.7
59.01241	18.7
61.98697	1.0
66.25733	0.6
72.93161	0.6
75.29977	0.7
78.95761	8.7
80.03113	0.8
102.24381	0.7
104.53671	0.7
113.09570	8.3
128.38283	0.8
132.69325	0.9
140.16197	0.7
159.10164	100.0
160.10580	0.9
168.04256	2.6
224.06870	2.8
237.70609	0.8
255.23297	39.1
303.23297	1.9
332.17609	1.0
478.95288	1.0
480.31161	2.7
609.60345	0.9
622.40930	50.7
623.41162	2.2
697.37341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62029	0.5
59.00145	1.3
59.01243	100.0
59.02505	1.8
61.98674	0.7
73.50326	0.5
74.79095	0.6
91.73360	0.8
93.24082	0.6
105.18571	0.6
121.02859	1.9
191.82571	0.6
209.04385	0.9
343.50885	0.7
535.02704	0.7
593.13794	1.1
681.79749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76057	0.4
61.16455	0.4
66.66525	0.4
70.92647	0.4
79.26782	0.3
93.03281	0.4
96.45964	0.4
96.73547	0.4
112.09877	0.5
114.01346	0.4
119.04891	100.0
119.08405	1.4
120.05197	1.2
130.08618	13.2
163.03906	92.8
163.09398	0.9
164.04271	0.9
179.16847	0.4
211.18111	0.9
224.60020	0.4
227.21509	0.5
234.44788	0.4
236.80794	0.5
271.20291	45.9
272.96024	0.5
323.28860	0.5
367.10352	9.0
406.70319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	1.0
58.46303	1.0
59.01242	22.2
70.02831	1.9
71.01234	3.1
72.04406	3.8
74.02329	82.4
84.04407	1.8
85.02816	1.9
85.25946	1.3
89.61071	1.1
98.02358	2.0
99.00744	5.5
101.02330	2.3
112.03905	1.4
116.00045	1.2
116.03403	100.0
117.04961	1.2
126.05503	1.7
128.03415	1.4
140.03387	12.4
200.44969	1.4
218.06703	3.2
250.88304	1.6
259.94000	1.3
322.34683	1.5
393.21445	1.6
417.21368	4.4
435.22470	17.4
461.59424	1.7
636.28741	1.7
654.29858	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.1
59.01244	69.3
62.95998	1.1
67.78927	1.0
67.99094	1.0
71.01241	6.9
71.01585	1.5
71.53422	1.0
71.76272	1.1
73.02813	3.4
74.02339	6.5
74.24210	1.1
79.35675	1.2
83.01247	2.6
84.04398	1.3
85.02808	3.8
96.95872	1.2
98.72286	1.1
99.00761	2.4
101.02295	10.8
113.02320	4.3
116.03407	9.4
126.05406	2.5
127.47021	1.3
128.03398	1.6
140.03387	1.6
161.04425	2.0
174.27808	1.2
174.44667	1.4
236.07895	1.5
319.24521	1.6
333.19247	4.5
340.50775	1.4
347.90210	1.6
375.20279	2.7
393.21451	6.1
417.21500	2.9
435.22375	100.0
436.22559	2.5
654.29901	7.9
672.20111	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53016	1.7
59.01243	61.0
63.70265	1.8
71.01240	5.8
72.04407	2.0
73.02799	7.1
74.02325	17.0
75.20074	1.8
84.25090	2.1
85.02812	4.7
91.72730	4.8
94.75688	1.9
96.95895	2.8
99.00742	2.9
101.02304	9.0
113.02357	2.5
116.03394	19.5
140.03391	3.5
142.19469	2.3
143.13589	2.3
145.92168	1.9
155.10609	3.5
161.28722	2.1
174.45645	2.3
175.99541	2.3
318.83652	2.5
333.19354	3.0
333.90939	3.0
357.63193	2.6
393.21094	5.9
417.21237	4.6
435.22391	100.0
654.29944	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
84.04362	15.9
102.05483	26.0
120.08067	18.4
121.38575	11.2
122.06029	17.0
128.03389	42.2
134.72906	15.2
136.07576	57.3
253.13426	15.3
269.13034	14.7
279.11301	14.4
281.12897	19.0
446.20752	16.0
511.90912	14.6
569.28101	28.4
576.26367	15.8
698.31793	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30167	0.4
55.26484	0.5
57.03322	0.8
59.00058	0.4
59.01242	24.2
69.03300	0.4
71.01238	11.2
72.74886	0.4
72.99176	0.5
73.02797	6.8
73.03189	0.4
78.62982	0.4
83.01254	2.7
84.27708	0.7
85.02800	7.0
85.99961	0.5
86.78940	0.6
86.79362	0.5
87.00733	0.8
89.02290	6.6
95.01241	1.1
97.02811	0.6
99.00742	1.0
101.01654	0.6
101.02305	11.3
101.02956	0.8
102.55754	0.4
113.02307	7.1
119.03370	2.5
119.04911	1.7
120.07827	0.5
121.06464	4.5
125.02343	0.8
130.08618	3.3
135.04341	0.5
140.07082	0.9
142.62834	0.4
143.03397	1.0
147.04402	17.4
147.08008	0.8
149.05974	1.3
161.04489	1.1
162.39278	0.4
163.03899	1.7
163.83604	0.5
165.05466	19.2
191.07091	1.2
194.70244	0.5
197.66612	0.4
226.14459	0.6
241.09714	1.0
249.07738	0.7
271.20273	20.2
291.15720	0.4
309.09802	26.2
310.10153	1.0
327.10864	33.1
328.11270	1.0
369.11911	100.0
370.12155	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66261	1.3
55.46239	1.2
57.26045	1.1
61.97421	1.6
61.98695	100.0
62.00091	1.5
78.95757	1.4
99.82061	1.6
100.41454	1.5
115.79716	1.5
132.04430	3.7
160.03981	2.6
160.61899	1.5
164.91258	1.6
176.03459	3.3
208.06198	1.5
255.23308	2.1
268.08249	2.0
278.71375	1.8
283.10706	1.9
308.66116	1.6
543.45477	1.9
606.39441	3.5
624.41187	5.3
650.39362	1.8
668.40247	2.3
682.41205	2.4
700.42914	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	37.3
61.98703	3.5
71.01240	31.5
73.02802	8.5
75.00760	1.7
83.01279	3.8
85.02850	5.9
85.61604	1.5
87.00749	3.7
88.73283	1.6
89.02298	55.3
95.01304	2.4
96.96875	3.3
97.02828	3.6
99.00772	2.3
101.02303	36.2
103.68319	1.5
111.00793	1.9
113.02298	20.8
119.03374	17.5
119.04027	1.6
125.02333	1.9
131.03416	3.0
132.04071	2.8
143.03453	5.9
149.04454	2.5
161.04500	13.9
178.60309	1.6
179.05530	26.0
194.04874	2.5
196.04482	2.7
197.92213	2.2
221.06636	26.5
221.08688	1.4
263.07803	1.8
281.08859	3.2
286.16617	1.8
341.11005	5.0
383.11954	3.4
485.15070	5.0
503.16522	3.6
646.64777	2.1
665.21564	100.0
666.21930	4.4
701.19275	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25243	3.2
59.00969	7.1
59.01243	100.0
59.89684	3.3
61.98685	6.0
65.03206	3.1
75.92245	3.8
78.95786	4.8
85.43304	3.8
99.68913	3.6
125.59894	4.7
141.16582	3.7
195.93378	4.4
411.14111	4.7
438.13596	6.8
481.15161	46.1
495.16644	16.5
497.18228	8.4
540.16638	15.3
554.18036	5.1
555.18903	80.6
572.15710	21.1
586.17249	11.5
641.22778	35.8
701.24677	71.8
702.24561	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.0
57.03313	2.0
59.01241	52.8
59.02527	0.9
59.11765	0.6
66.09381	0.6
69.03291	1.7
71.01238	28.8
72.99154	1.8
73.02806	6.2
78.95753	1.1
79.35798	0.8
81.03303	2.4
83.01232	3.5
83.04921	0.8
85.02806	6.5
86.36092	0.9
87.00729	7.0
87.86897	0.8
89.02293	37.5
90.16253	0.7
95.01260	1.9
97.02798	6.0
99.00742	2.2
101.02305	31.5
107.10948	0.7
109.02788	0.9
113.02307	13.1
119.03358	12.8
125.02323	11.0
131.03378	1.5
140.63960	0.8
143.03392	5.1
149.04448	1.1
161.04471	8.3
176.69020	0.7
176.75256	0.7
179.05544	7.8
188.94846	1.3
217.07143	0.9
221.06645	2.0
224.48901	1.0
235.08257	10.2
253.09274	4.1
255.23576	0.9
259.24335	6.3
263.07706	0.9
279.41162	1.0
287.07773	2.5
303.23303	100.0
304.23743	2.6
305.08667	1.9
323.10236	0.9
358.79129	0.9
370.69382	0.9
397.13535	69.7
398.13773	1.8
415.14624	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01260	1.2
71.66015	1.2
72.04395	1.7
74.02314	6.2
80.04883	2.1
84.04400	4.0
96.95882	1.9
100.00244	1.3
104.03385	1.8
106.06481	9.1
114.75678	1.4
132.04381	2.7
134.05011	3.1
134.06000	42.9
134.09605	2.2
147.09190	1.8
149.86726	1.3
150.05467	2.5
160.03937	31.3
162.05533	3.4
165.10210	1.7
175.08624	1.6
177.10228	1.9
189.06598	1.6
202.05003	1.9
211.08681	2.5
217.88431	1.8
227.12007	1.9
239.08279	3.2
241.09833	12.7
251.08307	2.3
252.09053	2.9
253.09819	15.9
257.12851	2.2
265.09790	2.1
267.11478	8.5
277.09845	3.3
285.12296	1.7
293.09375	2.5
295.10910	16.6
313.11874	5.7
326.15100	4.3
336.13531	4.7
338.15158	29.8
356.16302	3.8
370.13989	14.9
371.07181	1.8
382.13998	3.5
400.15518	4.0
414.14478	2.4
456.15292	2.5
458.32047	1.7
474.17386	2.4
494.34885	1.7
499.20047	3.0
531.19263	3.3
543.18561	1.8
545.20428	7.3
561.19934	100.0
562.20734	6.5
563.21454	3.7
594.19519	2.3
684.26752	4.4
696.78168	1.8
702.28009	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.6
67.58084	2.0
68.40636	2.0
74.02334	4.3
84.04414	2.9
96.95869	3.6
104.03386	3.1
106.06490	6.1
108.04414	3.7
108.17186	2.3
109.75425	2.1
120.08087	2.4
134.05989	46.6
136.07629	2.9
143.69885	2.3
160.03928	27.7
162.05519	2.8
177.10240	2.7
211.08746	5.7
227.11859	3.5
241.09808	17.8
252.09093	3.4
253.09770	15.9
267.08273	2.4
267.11319	11.3
269.13071	3.3
277.10156	3.5
293.09390	3.1
295.10873	18.0
308.14172	2.8
313.11838	4.1
315.63672	2.5
326.15167	3.6
336.13535	3.5
338.15106	25.7
356.16382	4.7
370.14050	16.3
400.15088	7.8
418.01129	2.9
531.18536	4.1
545.20575	5.7
561.19989	100.0
562.20313	4.8
563.21454	6.9
594.19641	3.6
684.26855	5.7
702.27826	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53874	1.0
51.90390	1.3
55.11928	1.0
58.11182	1.2
61.97436	1.6
61.98695	100.0
62.00078	1.7
71.39380	1.0
72.50826	1.3
76.01792	1.2
78.95773	2.0
91.73340	1.4
96.54066	1.3
118.85702	1.2
132.67586	1.5
205.41489	1.7
227.03297	1.4
234.52942	1.5
263.60757	1.6
403.83917	1.5
437.32562	1.7
653.48669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2622
Annotation	2-Demethyl-naphthomycin A
Peak:m/z	Relative Intensity
50.06397	2.3
50.78628	2.4
52.60841	2.5
54.84204	2.1
59.01238	23.4
71.01245	27.1
73.02792	5.5
74.52690	2.7
83.01228	3.3
85.02805	6.2
87.00716	4.6
88.03871	4.5
88.50183	2.7
88.86638	2.7
89.02315	19.5
96.95885	4.0
101.02295	24.3
103.03346	2.6
105.58983	3.0
112.36175	2.7
113.02295	11.3
117.84966	2.9
119.03368	5.4
132.14948	3.1
135.02887	6.3
135.04404	15.8
136.04736	5.3
138.25922	3.0
143.03380	4.3
146.08075	17.5
178.97630	3.5
179.03418	19.3
179.05405	3.9
180.03697	10.6
221.06599	19.4
223.67380	2.9
234.99174	5.7
309.62997	3.5
440.86633	3.3
704.26251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96905	3.2
74.02332	15.5
94.02866	3.4
96.04398	4.8
100.00279	6.0
104.03377	12.9
105.83837	3.8
116.03424	5.4
148.03923	13.3
150.05524	5.9
226.07277	5.1
226.12447	4.4
227.08185	5.7
239.08315	8.8
241.09834	37.4
251.12054	4.7
252.08803	5.4
253.09848	35.0
254.10507	4.8
265.09927	5.3
267.11462	19.1
268.12100	8.1
269.13007	14.9
281.09531	4.3
295.10864	24.4
296.14352	4.7
313.11917	6.8
326.15289	6.7
338.15140	14.6
350.06924	4.2
350.80865	5.2
360.13574	7.6
370.14108	16.5
400.15100	27.6
457.18759	5.1
513.42365	5.2
519.19647	5.2
521.19824	6.4
565.23431	22.3
595.55096	4.3
603.27625	4.9
656.27582	7.0
674.28424	17.2
686.28363	53.0
704.29419	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39526	4.2
59.85659	4.9
62.04737	4.8
66.94092	4.7
70.98534	5.6
74.02347	14.7
78.95802	5.5
96.95910	7.2
104.03435	10.6
122.06022	10.5
148.03979	12.2
150.05544	11.5
201.60004	6.8
215.12006	6.8
224.93289	6.1
241.09882	21.3
252.09035	8.4
253.09872	21.8
267.11285	27.0
269.13071	15.5
295.10986	17.4
338.15164	7.8
370.14240	10.1
387.07697	7.0
400.15387	16.7
576.44934	6.7
671.91010	6.2
686.28235	42.4
704.29358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95767	1.1
53.72837	1.1
59.01243	21.3
85.02807	87.3
103.01133	2.0
103.03870	100.0
116.11216	1.4
150.50096	1.4
171.06531	18.3
172.93793	1.7
189.07632	3.1
192.16013	1.9
194.60001	1.7
210.24733	1.7
314.59952	1.8
318.78622	1.9
576.56317	1.8
626.20935	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	18.8
61.77377	5.3
61.98711	5.2
64.75685	4.9
70.38446	5.4
73.02829	6.6
76.74855	6.0
77.26286	5.9
120.19086	5.6
136.28741	5.8
147.11694	17.8
151.11429	6.1
158.68135	5.9
183.71477	7.0
191.10760	13.1
192.41733	6.6
200.04845	6.7
209.11787	14.9
253.09222	12.5
255.23399	17.6
263.54166	6.8
277.21722	100.0
382.07025	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23566	4.2
59.01244	44.3
61.98720	4.5
67.15543	4.9
71.01237	28.3
71.61702	4.7
72.02954	5.7
79.77026	5.3
86.13326	4.8
87.00742	9.5
89.02314	34.4
91.47946	5.4
101.02322	24.5
102.87894	5.6
112.04606	5.5
113.02317	13.0
119.03400	9.0
125.02327	12.8
134.76981	7.3
161.04495	8.5
235.08267	16.5
249.18617	89.6
397.13519	100.0
415.14633	32.1
478.12805	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55100	1.3
51.55988	1.3
54.30593	1.4
56.49809	1.1
59.01239	10.7
60.65921	1.4
71.01242	2.3
74.60700	1.5
78.95771	1.7
84.42844	1.7
87.69086	1.3
89.02286	2.1
90.20975	1.5
91.63846	1.4
96.59888	1.6
99.20526	1.8
101.02291	3.0
101.73804	1.8
108.44847	1.8
135.11688	4.7
147.11685	16.6
191.10681	19.6
208.08154	1.4
209.11769	24.5
253.09224	11.1
255.23389	2.7
279.23303	100.0
280.23654	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40292	1.4
55.87620	1.0
59.01241	49.9
62.03066	1.1
62.93192	1.0
71.01239	14.6
72.00768	9.0
73.02806	11.1
74.02326	24.5
74.02699	1.5
83.01266	3.3
85.02790	5.9
89.02316	6.7
95.01270	1.2
96.95876	1.2
101.02303	12.3
102.05475	1.3
104.03394	74.7
107.04880	1.2
111.87823	1.5
113.02309	6.9
119.03409	3.5
128.03412	2.4
174.04289	1.2
178.01488	1.2
284.91571	1.5
340.61798	1.4
356.61478	1.5
481.06305	1.5
521.62494	1.6
616.28168	1.9
622.28815	4.1
634.28680	9.3
646.28418	1.8
664.29816	100.0
665.30457	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01101	0.3
51.72454	0.9
59.00064	0.5
59.01241	19.1
59.71273	0.3
61.98672	0.3
63.68684	0.3
74.12164	0.4
78.04300	0.3
78.95760	10.2
80.96374	0.9
122.62410	0.4
125.09615	1.4
127.11154	1.8
138.94981	0.3
152.99484	1.6
153.09099	1.2
168.04236	4.0
171.04437	0.9
171.10172	100.0
172.10500	1.0
185.11745	9.0
224.06935	2.9
255.23289	43.5
256.23596	0.5
284.00226	0.4
293.78046	0.3
378.16843	0.7
462.30203	0.5
473.21942	0.4
480.30963	4.7
589.35516	0.5
634.40948	34.7
635.41278	1.0
648.42694	3.6
708.38464	0.9
709.38440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31854	1.1
54.01189	1.1
55.36194	1.2
55.79526	1.2
57.03313	1.3
59.01243	38.0
70.99732	1.1
71.01238	29.6
73.02814	8.8
73.62885	1.2
76.29573	1.4
76.99659	1.2
83.01249	5.1
85.02814	9.3
87.00706	3.2
89.02299	34.5
93.03326	2.7
95.01231	2.0
97.02832	3.4
99.00728	3.6
101.02309	34.8
113.02311	21.6
119.03382	17.9
119.04869	5.7
125.02304	1.9
131.03294	3.1
137.02286	3.8
143.03389	5.1
161.04446	8.7
179.05516	10.2
185.61737	1.7
199.15247	1.7
221.06638	30.7
236.15707	1.6
241.54880	1.6
242.80763	1.5
263.07889	2.2
299.11411	2.1
312.76343	1.5
359.69888	1.7
443.15182	7.2
461.16693	100.0
503.17783	32.7
605.21027	3.5
623.21649	4.1
650.34027	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81016	6.7
53.41841	6.8
58.43221	6.7
59.01241	95.6
71.01240	62.1
71.81166	6.6
73.02812	15.1
80.51742	6.6
80.72357	7.6
83.01257	7.9
85.02812	23.7
89.02284	69.4
95.01223	8.8
101.02296	56.2
112.64149	7.1
113.02325	41.8
119.03359	25.8
119.04918	13.2
119.84387	7.5
122.67080	9.5
161.04446	15.7
163.30644	9.4
179.05577	14.9
189.32884	9.1
221.06660	12.6
389.89481	8.8
485.16632	10.7
503.17682	13.5
601.03125	10.6
623.21832	38.5
665.23126	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54058	1.7
59.01242	56.3
59.02482	1.7
69.03297	2.0
71.01237	27.2
73.02805	4.6
82.37227	1.6
83.01237	4.2
85.02807	7.0
87.00723	5.0
89.02293	33.5
97.02803	6.4
101.02308	27.1
113.02279	12.9
119.03391	8.3
122.07024	2.0
125.02290	7.4
133.04912	2.2
143.03410	3.8
161.04428	6.6
179.05499	6.0
221.06567	3.6
235.08267	9.9
251.20151	100.0
252.20538	2.3
253.09332	2.3
274.22464	2.0
287.07507	2.9
305.08780	4.2
397.13513	95.8
398.14050	2.4
415.14606	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37963	0.9
51.07428	1.1
54.12527	1.0
54.21297	1.0
59.00014	1.4
59.01242	87.5
59.02351	1.3
71.01248	8.6
73.02805	4.9
83.01254	5.5
85.02820	3.8
85.42094	1.2
88.68377	1.2
89.02327	1.4
96.95835	1.4
101.02301	10.8
113.02314	5.6
126.92534	1.4
142.04996	1.4
142.69240	1.6
161.04518	2.3
293.43774	1.5
349.83234	1.4
361.22446	2.1
380.55066	1.3
385.21793	1.5
403.23431	4.3
421.24530	3.2
445.24548	12.3
463.25504	100.0
464.26169	1.9
469.24582	4.1
666.30615	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01710	0.5
55.01744	1.3
56.99061	0.6
58.02837	1.7
58.99974	1.5
59.01244	96.0
59.02376	1.7
71.01241	11.6
71.01595	1.3
73.02802	7.5
74.02325	6.5
75.84565	0.7
76.13615	0.7
83.01244	7.1
85.02809	8.3
85.99952	0.9
89.02310	2.6
92.52575	0.8
95.01248	1.5
96.95859	2.2
97.84473	0.7
99.00749	1.5
100.03934	1.6
101.02309	13.1
104.03389	7.7
105.01766	1.0
113.02307	7.0
119.03397	1.3
123.56858	0.7
128.16377	0.9
133.59483	1.0
142.04987	2.7
142.69226	2.2
159.02867	1.3
161.04500	3.0
166.38617	0.8
176.42044	0.8
200.40918	0.8
244.48872	0.9
261.33032	1.0
290.94513	0.8
299.87320	0.9
343.21353	1.0
361.22348	3.5
385.22314	2.4
403.23428	5.8
409.22430	1.4
421.24475	3.4
427.23413	4.5
445.24484	12.4
463.25537	100.0
464.26260	4.1
469.24487	8.2
505.26566	1.3
666.30841	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84237	0.7
59.01250	1.3
60.99174	1.4
66.02805	0.7
72.99165	1.7
75.00732	15.2
87.00776	0.8
88.98660	10.4
89.02311	3.5
117.01824	1.9
133.02846	1.5
134.03632	2.3
134.98625	1.3
135.02872	100.0
135.04370	15.2
135.07608	1.0
161.02299	4.3
165.99435	0.8
179.03423	13.7
189.01527	1.0
201.01651	3.1
207.01407	14.4
214.36674	0.9
229.39799	0.9
241.01007	1.2
248.94943	1.0
297.06180	17.9
297.09299	1.7
369.04449	1.2
501.65186	0.9
520.06055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95250	0.1
58.53391	0.1
59.01241	1.0
61.12511	0.1
68.07482	0.1
73.02798	0.3
81.03309	0.4
84.42640	0.2
91.04479	0.2
93.03317	0.4
101.02290	0.4
106.04109	2.6
107.04901	0.8
108.01989	0.3
112.47463	0.2
119.04895	5.9
135.04410	0.4
136.40337	0.2
137.05960	100.0
137.10393	1.0
138.03029	0.3
138.06316	1.2
163.03902	2.9
235.61847	0.2
280.72336	0.2
325.09271	0.3
341.12387	2.3
419.20517	0.2
511.87949	0.2
520.36456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51991	10.7
59.01235	67.7
60.86837	11.6
61.51232	12.6
61.98690	28.3
71.01228	21.8
74.72011	10.8
85.02885	14.6
89.02325	26.2
101.02306	17.5
118.57601	14.8
132.05818	13.2
160.80299	15.9
253.21765	34.7
277.21686	27.5
397.13480	100.0
399.79779	18.2
414.84167	19.1
415.14594	34.4
675.35883	25.8
711.33954	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02107	8.0
59.01239	39.0
71.01247	11.0
80.08115	8.5
84.88175	9.7
89.02330	16.1
100.88269	8.6
101.02332	16.3
111.52955	8.4
125.09648	10.7
132.60120	11.5
192.95862	16.8
230.66028	10.8
258.37689	13.3
277.21762	74.5
326.65390	11.4
350.88419	10.9
397.13504	100.0
415.14545	51.9
460.44281	11.7
634.94391	12.0
711.33319	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	34.7
59.01510	2.2
61.98714	4.4
64.73409	1.8
68.85470	1.7
71.01240	22.4
73.02833	5.3
75.42761	1.7
83.01260	2.4
84.35732	1.8
85.02847	7.3
87.00760	6.2
89.02302	28.7
89.02748	2.5
97.02791	2.9
101.02287	20.7
112.75844	1.9
113.02338	9.6
115.03964	2.1
119.03419	8.2
125.02364	7.4
128.34053	2.1
129.21259	1.9
132.47520	2.2
143.03386	2.6
161.04494	5.1
179.05641	6.2
235.08206	9.8
253.21730	79.8
277.21823	9.0
305.08951	3.3
397.13522	100.0
415.14600	33.0
564.79468	2.9
587.83826	2.4
651.36713	3.5
711.34235	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32374	3.2
59.01240	51.1
61.98691	9.2
66.08273	3.8
71.01237	26.5
73.02821	7.3
74.90436	4.2
85.02824	7.6
87.00742	5.5
89.02291	36.6
94.88280	3.9
97.02824	6.3
101.02320	26.1
113.02316	17.8
119.03365	9.2
125.02306	7.3
132.28777	3.9
161.04456	9.0
179.05620	7.3
192.95818	13.4
197.13980	4.2
235.08218	15.5
253.21767	100.0
305.09027	5.0
315.98392	5.1
316.02179	4.5
352.75656	4.9
397.13522	94.0
415.14575	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62146	8.2
56.05173	8.0
59.01237	29.7
61.98672	13.6
64.49724	9.4
71.01259	10.4
89.02304	27.2
92.92687	12.1
101.02316	23.5
112.33047	10.8
116.97122	72.0
119.03380	13.6
163.76608	10.7
167.80042	9.7
269.17923	11.7
279.23312	57.1
369.66458	13.0
376.10760	12.9
397.13593	100.0
415.14719	31.8
456.31534	13.9
637.61383	13.7
713.35272	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25711	1.0
59.01242	43.5
61.98709	1.5
67.96531	1.3
69.03313	1.2
71.01237	24.8
73.02814	4.5
81.03318	2.6
83.01244	4.0
84.73125	1.1
85.02808	6.7
87.00739	5.4
89.02294	29.0
95.01269	1.9
97.02808	5.7
99.00751	2.9
101.02295	25.7
106.47611	1.3
106.79180	1.3
113.02290	11.6
115.66592	1.3
119.03391	6.0
125.02296	11.3
143.03419	4.0
161.04471	6.7
179.05533	5.3
221.06720	1.8
235.08224	9.6
253.09406	2.1
255.23289	95.1
256.23645	2.5
287.07846	3.4
305.08826	4.3
349.87524	1.5
397.13525	100.0
415.14651	35.0
504.44675	1.7
653.37573	4.3
682.27045	1.6
713.38849	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88042	1.9
59.01239	3.8
63.48847	2.2
63.75339	1.7
65.32143	1.8
67.23570	1.9
84.04403	4.6
86.59449	2.0
87.72753	2.2
90.91218	2.3
94.06492	4.9
96.15514	2.3
96.95836	6.6
102.05460	16.6
120.08055	14.2
122.05980	31.8
128.03406	34.8
132.04457	2.8
134.06004	5.6
136.07593	2.5
146.04501	13.7
146.05553	1.9
152.07072	34.1
170.04459	2.3
175.66942	2.9
211.12373	2.7
215.11783	3.8
223.08731	3.3
225.10359	8.3
229.83899	2.3
230.86136	2.6
237.10353	5.4
238.11063	3.3
239.11844	14.3
241.13504	3.2
251.11861	5.8
253.13409	17.8
265.13721	3.1
267.11456	5.9
269.12946	6.7
276.35602	2.3
279.11209	6.6
287.13925	7.0
297.12390	15.5
390.18164	3.6
444.19531	3.7
462.20145	8.6
523.26428	3.0
567.25903	10.1
585.27264	26.6
592.25732	5.4
678.19598	2.8
687.93750	3.1
696.30493	7.8
714.31458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86394	5.7
56.82973	5.5
68.08420	6.1
96.95869	32.3
101.02415	6.8
102.05467	14.4
128.03415	43.4
142.05019	10.0
146.04491	11.5
164.97835	7.6
168.02739	14.9
227.08386	8.1
255.11368	18.9
269.13080	17.0
295.10928	18.8
297.12308	8.9
340.16708	14.6
442.16125	9.9
443.16824	21.2
448.21194	14.7
585.27386	21.8
628.27649	12.5
714.31519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08753	2.1
58.48953	2.1
59.01221	3.1
84.04397	4.2
88.55904	2.4
94.06477	3.8
96.95863	2.6
102.05445	13.1
120.08050	11.3
122.05988	24.8
128.03427	32.2
132.04417	4.9
134.06015	4.8
141.62083	2.4
146.04456	6.8
150.05501	2.9
152.07069	28.0
190.73291	2.8
211.12123	3.0
220.30235	2.8
225.10268	3.6
237.10216	3.2
238.11015	4.9
239.11964	14.1
249.10262	2.9
251.11957	5.3
253.13452	15.3
267.11200	3.5
269.12997	7.3
279.11478	5.3
279.14722	3.0
297.12421	10.0
390.18185	3.6
444.19125	5.0
462.20645	7.5
585.27148	21.4
591.24554	2.8
592.25275	5.5
696.30463	6.5
714.31482	100.0
715.31860	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.2
59.01242	82.6
60.34991	1.2
61.01966	1.1
65.13908	1.3
69.03253	1.7
71.01243	51.3
72.99168	2.2
73.02798	11.6
73.88159	1.3
81.42271	1.4
83.01243	9.6
85.02812	17.8
87.00739	6.5
89.02301	45.8
95.01237	6.2
97.02806	3.4
97.17744	1.3
99.00729	3.5
101.02305	41.0
105.44274	1.3
113.02316	31.5
119.03373	17.7
124.01522	5.6
125.02342	3.3
128.03404	3.0
143.03401	3.5
143.10725	2.2
147.02676	1.5
161.04431	5.5
179.05519	5.4
202.37424	1.6
221.06627	1.7
305.16132	7.8
371.17050	2.0
413.18256	4.2
449.20319	6.8
457.17847	1.6
467.21271	15.5
485.47266	1.8
509.23434	2.0
611.25623	61.3
612.25909	2.6
629.26697	100.0
630.27051	4.4
671.17694	1.2
671.27820	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	57.0
60.61925	3.6
70.97121	3.7
71.01240	46.2
72.15457	3.5
73.02800	10.8
83.01253	9.1
85.02818	24.3
87.00718	8.0
89.02280	22.7
95.01256	5.4
97.02808	6.1
99.00743	5.4
101.02311	45.3
113.02315	25.4
125.02345	13.5
128.03403	25.6
133.29358	3.8
135.04407	35.4
136.04796	8.5
143.03304	6.8
161.04443	9.1
179.03407	35.6
180.03767	17.0
188.30574	5.0
200.64410	4.2
202.79553	4.6
203.08273	5.8
221.06857	6.6
245.02559	4.4
305.16144	12.0
332.12613	9.3
333.12811	6.2
342.13522	5.0
348.52817	5.3
449.20291	17.6
467.20953	21.6
611.25623	100.0
629.26819	59.9
671.26428	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.7
57.03306	1.5
58.14808	1.4
59.01244	70.2
59.01546	3.4
59.02413	1.7
62.63192	1.4
69.03288	2.2
71.01242	51.0
71.86256	1.5
72.99152	3.3
73.02801	12.5
83.01245	10.0
84.63895	1.5
85.02804	24.9
87.00748	5.2
89.02305	36.2
95.01228	4.5
97.02822	4.5
99.00735	7.8
101.02302	49.1
111.00744	1.9
113.02317	29.9
119.03362	11.3
124.01559	3.8
125.02312	8.1
128.03458	1.8
131.03377	1.8
141.01881	2.0
143.03415	7.1
146.76682	1.6
159.02843	2.0
161.04440	6.8
179.05525	4.7
187.15060	1.6
192.55334	1.9
221.06734	3.0
287.14941	2.7
300.47351	1.8
305.16110	6.7
315.49524	2.3
449.20145	11.0
467.21277	10.9
557.91077	2.1
611.25671	100.0
612.26361	3.4
629.26648	79.8
630.26923	2.4
662.38586	2.0
671.27716	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35672	0.5
59.01247	2.5
61.97433	1.9
61.98693	100.0
62.00117	1.2
63.66038	0.5
69.41519	0.6
71.01241	1.4
89.02316	1.7
101.02316	2.0
103.06326	0.6
106.73933	0.5
113.02301	0.8
125.02341	0.6
170.64389	0.6
255.23386	2.3
256.23734	2.3
321.14731	0.8
397.13641	1.2
398.14081	1.8
399.14206	2.4
417.15424	1.0
532.37439	0.8
657.79419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41158	4.2
54.47715	3.8
56.65553	4.3
59.00972	8.8
59.01242	78.4
59.11475	4.2
66.12399	4.6
69.03302	5.6
71.01245	53.4
73.02785	6.8
77.29790	4.7
83.01250	10.3
85.02811	20.7
87.00732	7.0
89.02303	44.7
92.95689	4.2
95.01295	5.7
96.95857	9.4
101.02296	47.4
113.02338	34.7
119.03368	14.9
126.73009	5.1
130.58553	5.9
161.04347	5.7
193.05083	9.2
307.17532	11.2
316.62714	5.4
336.01349	5.1
451.22095	15.2
469.22556	11.6
613.27094	70.6
631.28339	100.0
673.29584	34.3
729.56726	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	6.8
59.01496	1.7
59.56377	1.5
71.01216	3.2
71.04865	2.5
77.16146	2.0
78.95746	2.2
85.02792	2.3
89.02277	4.2
96.49504	1.6
97.02795	3.0
97.06431	3.9
99.00738	15.1
103.06803	2.1
125.09563	6.6
152.99416	2.0
163.11189	8.4
181.12283	17.3
199.13313	15.3
207.10222	29.8
225.11276	48.1
236.90608	2.0
243.12363	26.9
255.23285	19.7
324.51758	2.3
437.64432	2.1
461.20163	4.2
479.21133	10.7
716.70441	2.4
717.44324	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16357	0.6
50.67701	0.5
59.01243	15.4
71.01231	5.7
72.00760	2.0
73.02801	6.7
74.02339	6.3
79.69875	0.6
82.02828	2.0
83.01220	1.9
84.04409	1.5
85.02827	1.5
85.03936	1.1
87.63052	0.6
89.02290	4.6
101.02298	8.4
109.03967	2.5
109.92672	0.7
112.03854	0.8
113.02311	5.0
113.03488	0.7
116.04918	12.3
119.03358	2.1
119.04900	9.3
123.05495	1.4
127.05012	8.6
127.99622	1.3
128.03409	100.0
129.03751	1.3
130.06494	0.8
131.03362	1.1
141.06561	6.0
142.06505	4.2
143.03368	0.7
149.04477	1.0
153.06609	0.7
159.09178	3.0
161.04420	2.3
163.03984	0.7
167.04530	9.8
184.56319	0.8
185.05670	4.5
186.05531	0.8
203.08197	33.5
204.08638	1.0
215.63829	0.8
215.82158	0.6
266.47321	0.8
270.12534	2.9
281.10315	12.2
299.11453	3.0
314.11508	11.3
332.12543	52.2
333.12924	2.4
341.12381	16.0
434.54056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60551	1.7
61.98708	1.8
62.79059	1.6
63.57943	1.6
67.57436	1.6
68.47906	1.7
69.03312	13.4
74.47684	1.9
78.95757	26.5
91.03298	1.8
97.02831	2.9
112.24635	1.9
122.98406	27.4
123.08071	6.9
125.09547	2.1
134.98375	2.0
149.01131	2.0
151.11172	4.1
152.99478	12.0
153.79294	2.2
161.07361	2.2
161.09639	4.1
168.04219	4.4
179.10674	33.5
197.11754	12.8
201.71956	2.3
205.08698	2.8
211.13431	3.0
223.09756	12.4
224.06874	3.4
230.04108	1.9
241.10855	5.4
255.12384	41.6
255.14954	2.7
255.23302	100.0
256.23746	2.9
300.91293	2.1
356.01163	2.3
391.22284	3.0
480.30994	4.2
524.93109	2.4
659.35889	24.5
718.43103	41.1
745.45343	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62968	14.8
59.01247	35.4
61.98687	70.1
75.96309	16.2
78.95770	100.0
81.06404	21.6
88.17216	21.2
94.37887	17.4
108.46203	20.9
122.26145	28.6
131.34773	23.1
149.29442	21.6
152.99452	41.3
255.23279	68.8
546.00580	22.3
719.45117	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17913	2.7
57.52658	2.5
58.32086	3.1
59.01242	3.8
59.60739	3.0
63.33244	3.0
67.11211	2.9
70.81510	3.2
74.02334	18.3
82.02849	4.0
86.02349	5.1
86.55868	3.1
102.08499	3.1
102.42333	3.2
104.03396	15.6
116.03371	4.8
122.02322	5.7
126.05560	4.0
128.03384	8.1
134.02336	3.5
134.05882	4.1
136.07573	4.4
140.03407	14.4
147.03275	4.4
148.03951	27.3
149.04730	8.4
150.05565	28.7
161.04770	6.0
163.02647	4.0
164.03395	10.7
173.03491	15.3
174.04227	38.6
174.05534	5.8
175.05029	12.8
175.06403	7.6
186.05565	4.2
189.06624	31.7
190.07390	44.1
191.08269	7.3
203.05905	6.5
218.06509	5.5
231.07764	36.8
232.08473	75.1
233.09253	16.3
243.07660	18.4
244.08412	23.7
245.09320	9.0
249.84160	4.4
270.07919	7.0
285.08887	8.5
286.09586	15.1
287.10379	7.3
315.13660	14.5
340.13058	5.7
391.13983	10.7
398.17236	32.0
450.17102	4.9
452.18301	33.4
470.19449	6.3
492.17621	11.4
504.17969	5.9
539.21423	4.8
539.47479	5.1
554.20520	22.1
557.22552	100.0
558.22675	5.0
561.23291	8.9
647.55273	4.7
702.27820	10.8
720.29083	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69788	3.7
52.82033	4.6
56.31829	4.5
74.02356	12.1
82.02865	9.0
96.95857	6.6
100.00306	8.3
104.03432	17.5
118.58125	4.5
128.03436	10.6
130.10043	5.1
136.07591	6.6
145.31892	4.9
148.03986	22.7
149.04684	5.7
150.05501	43.0
162.05554	6.7
162.93710	5.4
163.02791	6.4
164.03517	11.6
166.08591	6.4
173.03479	11.3
173.04807	7.6
174.04309	33.5
174.05594	6.5
175.05074	15.9
189.06622	36.4
190.07404	53.5
191.08238	5.3
215.08315	11.5
216.06551	6.1
231.07764	38.8
232.08498	62.2
233.09312	23.4
241.09753	26.3
243.07893	20.3
244.08661	23.8
245.09271	9.8
257.12036	8.1
267.07690	10.3
268.08633	8.0
285.08954	21.1
286.09766	11.6
287.10464	8.1
310.11920	6.4
315.13684	9.9
392.14914	7.1
398.17325	41.3
424.15332	9.9
426.57782	5.6
452.18402	37.5
492.17871	13.2
495.22687	6.5
527.21222	7.8
539.21924	12.0
554.20398	19.4
557.22369	100.0
557.29639	7.1
561.23694	6.6
657.70850	7.2
702.27673	12.2
720.28857	92.5
732.27283	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75890	4.5
59.01247	9.4
65.35136	5.1
73.79780	5.7
74.02330	18.1
82.02846	12.6
84.04383	6.1
85.95461	5.5
90.43872	5.1
96.95863	12.4
104.03418	15.6
121.00229	5.4
128.03477	9.7
138.96751	7.3
148.03922	33.1
149.04694	11.4
150.05505	36.6
161.04674	9.1
162.05515	9.0
164.03423	11.9
173.03462	21.4
174.04268	48.3
175.05048	11.0
189.06616	37.2
190.07370	64.1
215.08307	7.2
216.06755	9.3
231.07710	44.6
232.08488	71.5
232.51367	6.9
233.09200	12.9
243.07712	18.0
244.08514	23.6
245.09268	13.7
285.08707	12.0
286.09546	11.2
287.10181	9.6
315.13614	16.0
325.08322	7.7
356.99908	8.3
398.16989	36.8
452.18411	50.6
492.17917	23.0
554.20404	22.7
557.22546	100.0
702.27844	20.0
720.28851	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.1
59.01229	1.7
66.19415	1.2
67.35830	1.0
69.38173	1.1
71.04863	2.5
71.96533	1.1
74.41769	1.1
78.95760	22.1
97.02808	5.2
97.06403	3.3
99.00755	7.4
103.86906	1.3
110.03614	1.4
122.98389	11.3
125.09592	14.1
152.99449	6.7
163.11183	7.1
168.04207	5.4
174.77655	1.2
181.12262	19.0
190.16202	1.5
207.10214	39.0
224.06900	3.6
225.11275	66.7
226.11516	1.4
235.71028	1.4
243.12375	3.0
255.23288	100.0
256.23856	2.2
257.13931	19.7
480.30774	5.4
649.37231	2.4
661.37537	14.2
720.44604	44.4
721.44556	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80831	0.4
51.59795	0.9
51.60009	0.5
55.05415	0.4
56.12455	0.7
59.01241	12.7
59.77840	0.5
60.84248	0.7
63.41680	0.4
71.01238	4.3
72.00729	0.9
74.02322	1.6
89.02287	1.0
93.03313	48.3
93.05980	0.5
101.02291	0.7
104.24417	0.5
106.64520	0.5
113.01048	1.2
116.04914	3.3
128.03412	0.7
128.07091	0.8
136.25999	0.5
145.07568	2.1
148.45926	0.5
156.06516	2.3
159.07901	3.6
159.09140	1.9
160.08696	45.4
170.07137	0.9
172.08734	0.8
174.10278	4.2
175.08640	0.5
184.08711	8.4
186.10281	24.4
188.11836	4.9
196.08714	1.1
198.10286	8.9
199.07455	0.9
200.11865	4.5
201.12451	1.3
202.09766	4.5
203.05679	0.7
203.08215	1.4
210.10283	4.6
212.11848	2.5
213.06682	2.0
214.09799	4.7
216.11368	34.1
222.10226	1.0
226.09952	0.9
228.11395	9.1
238.09874	0.6
240.11388	5.4
241.13397	0.8
258.12543	1.6
276.13535	100.0
277.13913	1.4
285.12427	5.5
294.14719	1.7
297.09784	4.2
330.18262	10.2
336.15680	8.1
380.17661	0.9
459.84796	0.7
528.48480	1.3
627.44525	0.7
654.21069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26172	0.8
74.10651	0.9
81.03324	2.4
83.04868	10.0
96.95899	1.2
100.65829	0.9
116.77122	0.9
224.17668	1.2
225.16061	8.4
241.09921	1.2
451.33017	4.5
677.49774	100.0
678.50696	5.2
723.50012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81264	0.5
52.73491	0.5
58.65091	0.6
59.00072	2.0
59.01244	100.0
59.02566	1.3
63.56434	0.8
71.01240	9.5
73.02810	2.9
77.08742	0.6
80.94684	0.8
83.01253	2.5
84.36629	0.6
85.02818	4.4
89.02297	4.8
90.64853	0.7
99.00771	1.3
101.02309	8.8
113.02332	3.2
119.03376	2.0
143.03436	1.0
143.10655	0.8
161.04482	3.3
169.82253	0.7
203.58171	0.7
247.12039	1.3
269.95969	0.7
274.73865	0.9
287.15091	2.0
289.13126	1.5
302.54440	0.7
305.16119	6.7
347.17078	9.4
386.09097	0.8
670.15869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53635	1.2
59.01231	0.7
71.01228	0.9
72.99168	0.9
73.02804	4.9
75.00736	3.0
80.79520	0.6
87.00735	5.9
88.98660	8.1
89.02296	0.8
91.72710	1.3
117.01799	13.1
117.02621	0.8
117.59829	0.8
119.04893	39.7
119.08109	0.7
135.02878	15.3
145.02867	2.1
150.58479	0.7
162.98135	1.4
163.03908	100.0
164.04181	0.9
177.05490	1.0
207.01454	1.7
227.64444	0.7
281.06683	48.7
282.07040	0.8
282.69421	0.7
353.05234	4.0
436.56732	0.8
524.61298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50959	0.9
59.43904	1.0
63.96058	1.1
64.34416	0.9
71.01230	7.2
72.93763	0.9
73.02795	1.3
78.95748	2.6
78.98441	6.3
79.95592	9.9
80.96373	63.1
81.03336	1.1
85.02783	2.7
87.00719	3.0
94.97942	14.3
97.02806	1.5
100.25496	0.8
101.02316	1.7
101.41422	0.8
102.85225	0.8
106.97937	3.3
122.97451	4.1
125.02301	2.3
125.09562	2.3
134.97462	4.6
136.99013	1.6
148.99013	6.7
152.98508	5.5
152.99573	0.9
164.98521	14.4
171.10149	2.3
178.60133	0.8
182.58054	1.7
187.09688	1.6
191.51244	1.2
206.99658	1.7
225.00716	24.7
241.01105	1.0
255.23262	2.8
271.65366	1.2
281.21619	1.0
469.13962	2.6
537.27069	2.3
552.45270	1.1
725.37964	100.0
726.39124	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99625	1.6
61.98685	3.9
65.88948	1.6
69.13683	1.8
70.86642	1.6
71.01237	4.1
74.39664	1.6
78.95763	24.3
78.98438	3.0
79.95599	3.8
80.96376	35.9
81.14317	1.7
85.02788	2.4
94.97923	7.8
96.96822	5.4
106.97966	2.3
118.80308	1.8
125.09524	2.3
134.97481	1.9
148.99014	3.1
152.98381	3.6
152.99452	7.2
155.46063	2.0
156.39514	2.0
164.98518	8.9
171.10158	30.3
187.09633	2.4
201.81827	1.9
223.00035	3.9
225.00688	13.8
241.01155	13.3
255.23288	25.8
261.59653	2.6
391.22302	3.6
553.27789	3.7
725.38293	100.0
726.38953	5.0
728.06665	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00106	0.2
59.01241	10.5
61.56621	0.3
68.99682	0.7
71.01241	3.1
71.04897	0.3
73.02795	0.6
78.95772	0.5
83.01228	0.6
83.04856	0.5
85.02814	1.9
87.00718	0.3
93.03301	0.9
95.01229	0.5
96.16750	0.3
97.02827	0.3
99.00696	0.3
99.04381	2.0
101.02313	1.3
107.04887	1.3
108.02034	5.4
109.02815	7.5
113.02331	1.0
119.04856	0.5
121.02834	2.3
122.03604	21.4
123.01033	1.0
123.04385	100.0
123.08241	0.9
123.96817	0.3
124.04752	1.1
125.02313	0.5
127.03899	0.5
134.03603	4.2
135.04362	0.4
136.94638	0.3
137.02341	6.3
141.62747	0.3
149.05957	1.3
161.04459	0.6
163.03915	1.6
164.04253	0.7
165.05482	1.6
178.02657	1.1
193.04968	6.2
203.05553	4.6
207.06592	0.5
267.08746	1.3
281.06693	0.7
285.09879	0.3
296.70389	0.3
327.10861	9.1
327.14807	0.5
373.93451	0.3
627.32916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
60.99156	0.8
67.48649	0.5
67.61957	0.6
71.01226	0.6
72.99158	1.2
73.02789	0.9
75.00732	15.3
79.17350	0.6
85.73561	0.6
87.00729	0.8
88.98663	8.2
89.02296	4.0
91.72660	0.6
94.33269	0.7
117.01804	2.2
128.20810	0.7
133.02811	2.7
134.03439	0.6
134.98679	1.3
135.02875	100.0
135.04364	12.7
136.13177	0.6
137.02335	1.7
151.95454	0.6
161.02339	5.6
163.02399	0.9
177.01787	0.7
179.03416	12.1
179.19345	0.6
201.61124	0.6
207.01418	12.9
249.32738	0.7
278.43759	0.6
279.05087	1.7
297.06165	27.4
369.04581	1.9
445.53842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01508	5.3
59.01244	10.1
60.62264	5.9
61.98685	6.7
64.32410	5.2
67.25298	5.5
67.28716	5.5
70.35592	5.8
71.49689	5.1
75.06505	5.2
87.73375	6.0
96.95853	5.7
102.05489	15.4
128.03389	39.4
142.53360	6.7
148.07544	13.0
150.05515	6.5
173.07120	12.6
203.11961	9.0
243.11430	11.2
255.11354	19.4
297.12469	50.0
323.10614	7.2
417.88004	7.1
588.28290	11.4
601.26501	11.1
635.92535	7.7
712.29510	12.2
730.30829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.9
55.48647	0.8
59.01232	1.1
71.01202	1.4
85.47971	1.1
88.65604	1.1
91.72720	1.0
95.47224	1.2
96.95856	4.8
98.05962	2.5
101.02279	1.3
102.05461	14.0
108.04403	1.5
110.05975	1.1
122.06030	5.7
124.83447	1.1
128.03407	50.1
129.96268	1.3
134.05956	1.7
136.07614	1.7
140.07072	14.6
142.04988	11.3
146.04462	17.9
146.05984	4.1
147.06764	1.2
148.03902	1.5
148.07596	9.2
150.05513	5.0
150.09129	1.9
162.05501	2.7
165.06590	1.2
193.09726	9.8
198.09241	1.6
200.05515	1.5
200.10770	1.5
201.10368	1.6
212.10841	2.4
213.10216	2.3
213.75606	1.1
215.11894	5.7
225.10345	1.9
226.07492	3.6
226.12413	8.4
227.08232	7.6
227.11880	3.3
229.13457	4.8
238.07452	1.3
239.08134	3.1
239.11877	1.7
240.08859	3.3
241.09808	22.7
242.10611	3.0
243.11411	6.2
252.08725	1.7
253.09785	13.7
254.10513	5.2
255.11389	19.1
257.12979	9.2
267.11478	9.8
268.12158	2.5
269.12973	25.8
271.14560	3.0
277.09940	1.8
278.08902	1.6
280.08569	2.2
281.09387	3.9
285.12476	2.2
287.14053	12.0
295.10889	37.9
296.10016	2.3
297.12482	5.0
312.13730	2.9
313.11862	6.8
314.12592	3.1
324.62012	1.4
336.17435	1.9
338.15085	1.8
340.16660	14.0
355.19196	1.7
366.14471	1.6
380.16168	2.1
384.15775	2.3
390.14926	1.5
394.18054	2.2
398.17236	2.2
399.17859	1.9
424.14783	1.6
425.15952	1.6
442.16183	31.5
443.17026	23.1
444.17722	3.1
453.19550	1.7
479.23276	4.0
561.31915	1.4
582.23395	8.0
583.25446	10.4
601.26746	13.9
652.78223	1.5
693.32428	1.4
712.29840	6.8
730.31012	100.0
731.31274	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72469	0.1
64.26151	0.1
65.07684	0.1
69.18974	0.1
73.06220	0.1
73.64570	0.1
74.17061	0.1
79.95589	1.8
82.02844	0.2
85.69647	0.2
96.13692	0.2
96.93113	1.1
96.95866	100.0
96.98351	1.5
120.04456	0.2
136.07561	0.6
148.03928	1.6
149.04723	0.4
150.05472	1.7
160.03986	0.2
161.04727	0.8
162.05486	0.3
163.02658	0.2
164.03445	0.4
166.08549	0.3
173.03461	1.3
174.04260	1.4
175.05014	0.9
175.06325	0.3
187.06290	0.2
189.06598	1.1
190.07396	1.9
191.08260	0.2
200.07071	0.2
201.07916	0.3
203.08238	0.2
204.98839	0.2
214.11124	0.2
215.08301	0.2
217.07440	0.3
217.09697	0.2
231.07721	1.7
232.08476	2.4
233.09192	0.6
241.10069	0.2
242.08278	0.2
242.10582	0.2
243.07739	0.3
244.08536	0.6
245.09308	0.4
259.10678	0.2
268.08694	0.2
285.08704	0.4
286.09619	0.7
303.09955	0.2
315.13513	0.9
340.12912	0.3
341.04462	0.3
398.17307	1.0
410.17136	0.4
425.62189	0.2
428.18384	0.2
452.18204	0.5
453.16772	0.3
467.16873	0.2
470.19241	5.3
491.11316	0.8
508.14127	0.5
534.11761	0.5
561.23682	0.3
587.46301	0.2
615.24646	0.4
632.80328	0.2
633.25745	10.3
634.25427	0.3
671.20410	2.5
731.22784	0.2
756.62433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83536	0.1
61.98705	0.2
64.14146	0.1
66.25832	0.1
71.01221	0.2
71.10966	0.2
77.93023	0.2
79.95590	1.9
82.02847	0.4
85.02786	0.2
85.89420	0.1
90.89127	0.2
96.93302	1.4
96.95870	100.0
105.56831	0.2
112.03945	0.2
118.25709	0.2
120.04456	0.3
123.35538	0.2
136.07550	0.6
137.06004	0.2
148.03931	1.8
149.04726	0.6
150.05499	2.1
161.04723	0.6
162.05449	0.3
163.02701	0.3
164.03439	0.6
166.08644	0.4
173.03484	1.0
174.04259	1.8
175.05032	0.8
175.06346	0.5
186.05461	0.2
187.06337	0.3
189.06673	0.8
190.04965	0.3
190.07353	1.6
191.08214	0.4
201.07964	0.2
202.08867	0.4
214.11064	0.3
214.18590	0.2
215.08209	0.5
217.07452	0.2
217.09778	0.4
228.06693	0.4
231.07666	1.9
232.08482	3.2
233.09337	0.6
242.08218	0.3
243.07719	0.4
244.08609	0.7
245.09196	0.4
261.08746	0.2
267.07825	0.3
286.09641	0.9
303.09894	0.2
304.10593	0.2
315.13568	1.2
340.13037	0.4
389.30435	0.2
398.17197	1.5
410.17157	0.3
428.18481	0.2
445.10950	0.2
452.18329	0.6
453.16876	0.3
463.37473	0.2
467.17078	0.3
470.19348	6.0
491.11511	0.5
508.14233	0.3
534.11957	0.3
561.23883	0.2
591.24872	0.2
615.24725	0.7
633.25751	11.4
634.26172	0.9
671.20715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.5
60.22360	0.3
63.77836	0.2
63.93485	0.2
64.79391	0.2
70.21162	0.2
71.94283	0.2
73.40656	0.2
79.95584	2.5
81.44376	0.3
82.02856	0.9
83.43645	0.2
96.93388	1.4
96.95869	100.0
96.98645	0.9
99.41580	0.2
109.72871	0.3
112.63159	0.3
136.07561	1.1
148.03909	2.7
149.04709	1.1
150.05495	3.3
160.03966	0.4
161.04674	1.2
162.05508	0.4
163.02765	0.3
164.03432	0.8
172.07487	0.3
173.03435	1.6
174.04247	3.8
174.05579	0.4
175.05049	1.7
175.06349	0.6
177.06583	0.4
186.05510	0.3
189.06601	2.1
190.07411	4.0
191.05740	0.3
191.08168	0.4
200.07164	0.4
201.07901	0.5
202.07370	0.8
202.08853	0.7
214.11086	0.4
215.08215	0.8
216.06520	0.3
217.07462	0.5
217.09822	0.7
228.06816	0.4
231.07709	3.6
232.08493	6.0
232.10623	0.5
233.09286	1.0
242.08324	0.6
243.07715	0.6
243.11426	0.4
244.08618	1.4
245.09276	0.7
261.67670	0.4
262.09601	0.5
267.07767	0.4
274.75677	0.3
285.08917	0.9
286.09613	1.7
287.07584	0.4
287.10602	0.4
304.10626	0.5
315.13556	2.1
337.10751	0.3
340.13062	0.7
369.14825	0.3
398.17255	2.8
410.17511	0.7
434.17746	0.4
452.18777	1.2
453.16788	0.4
467.16611	0.3
470.19357	10.0
471.19803	0.5
491.12061	0.3
561.23633	0.3
615.24622	1.2
633.25714	18.9
634.26147	1.3
642.75031	0.3
671.20764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00964	1.4
59.01241	16.5
71.01237	2.6
83.04890	1.0
89.02287	2.2
93.06940	1.4
101.02322	2.7
113.02283	2.1
113.03038	0.9
117.63815	0.9
119.08543	1.8
123.81503	1.0
128.72989	0.8
135.10770	0.9
135.11636	4.9
147.11685	17.4
161.04500	0.9
165.12785	0.9
179.10655	2.6
191.10692	18.3
209.11772	24.1
221.30978	0.8
235.08270	1.4
253.09279	12.5
255.23367	1.5
259.24374	6.1
303.23300	100.0
304.23608	3.1
460.45404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	13.4
62.66898	0.9
70.60731	1.0
71.01244	3.6
78.43272	1.2
89.02316	2.3
92.00275	1.1
101.02313	3.0
113.02309	1.3
135.11688	2.5
147.11700	10.7
179.10718	1.3
179.49219	1.2
191.10748	9.7
209.11795	18.7
242.03003	1.2
253.09279	11.3
259.24292	5.0
293.21423	1.4
303.23315	100.0
304.23758	2.6
362.83432	1.6
371.85367	1.4
376.14627	1.3
519.67249	1.4
760.78094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01222	1.4
62.96231	1.2
67.16144	1.1
74.18884	1.1
78.93906	1.5
78.95762	100.0
88.36945	1.1
90.25301	1.2
96.95853	2.8
96.96822	15.1
111.01854	13.5
158.92436	42.2
174.97934	2.5
240.02744	4.2
241.31807	1.3
272.95764	14.6
299.66467	1.4
301.98492	8.3
305.01688	5.9
323.02881	4.1
384.98483	15.2
402.99048	1.9
405.81097	1.6
464.33585	1.5
490.12616	3.6
546.05457	1.8
643.32263	1.5
656.45685	1.4
734.19452	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87791	2.0
55.04329	1.8
57.01599	1.8
59.01009	2.2
59.01244	24.5
71.01236	6.9
73.02795	6.2
76.06818	2.7
85.02812	4.3
101.02293	5.6
102.04794	3.5
102.05468	72.5
128.03410	36.2
145.82483	2.6
146.03310	2.8
146.04480	54.7
158.48584	2.4
226.37247	2.8
289.87769	3.1
311.38504	3.3
315.12125	2.9
353.65714	3.0
437.48538	3.0
514.84357	2.8
561.27179	5.3
579.19611	3.4
617.15881	3.2
648.30328	4.5
690.31354	100.0
691.32098	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49705	2.2
56.85172	2.3
59.01009	2.7
59.01244	29.5
60.66359	2.5
60.71010	2.8
71.01239	9.8
73.02792	5.0
84.04404	4.3
85.02824	5.6
96.95913	3.4
101.02314	7.9
102.05470	88.8
128.03391	24.5
134.58150	2.7
146.04480	25.5
173.60751	3.7
258.30289	2.8
293.63315	3.3
301.87637	3.2
318.59360	3.2
416.51294	3.7
549.45166	3.8
561.26819	6.1
646.32343	8.5
672.30066	13.4
690.31311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31915	3.2
57.49994	3.1
58.83383	3.3
59.01242	40.2
63.79359	3.1
71.01245	18.7
73.02814	5.6
73.45157	3.9
77.45146	3.4
83.01236	4.1
89.02313	22.9
95.01282	5.4
97.02806	4.3
101.02325	19.1
101.02888	3.4
113.02325	10.6
119.03358	8.3
125.02309	6.9
159.38466	4.1
161.04430	7.8
168.89186	3.6
178.81123	4.3
235.08226	9.7
277.21722	46.4
301.21802	28.7
397.13510	100.0
400.07504	5.3
415.14648	29.8
735.34082	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
57.03297	0.6
57.74247	0.5
58.00457	0.7
59.00061	0.6
59.01242	46.4
59.02528	0.6
59.46370	0.4
60.01554	0.6
60.63173	0.4
60.79397	0.5
61.98673	1.2
69.03287	2.0
69.79576	0.4
71.01237	27.8
72.99155	1.7
73.02799	4.9
74.87270	0.4
75.00714	0.7
75.22521	0.5
76.00146	0.4
81.03295	1.9
82.09019	0.5
82.28281	0.8
82.28693	0.9
83.01242	3.2
83.04883	1.0
85.02354	0.6
85.02805	6.1
86.43903	0.5
87.00734	5.6
89.00127	0.5
89.02295	33.2
95.01228	1.3
97.02802	5.5
99.00729	2.2
101.02302	25.9
101.49568	0.6
101.50158	0.5
103.03867	0.6
109.01969	0.5
109.02780	0.6
111.04343	0.7
113.01547	0.9
113.02299	12.4
115.03889	0.8
115.99908	0.5
119.03368	8.7
121.02781	0.5
125.02307	11.3
125.03222	0.7
131.03380	1.4
133.04926	0.9
139.03879	1.1
143.03398	4.6
149.04457	0.7
156.26660	0.5
161.04457	5.7
169.04958	0.8
174.99120	1.0
179.05515	5.2
180.25320	0.6
189.32901	0.5
217.00233	5.3
217.07080	1.3
218.00620	1.1
221.06635	2.2
233.22664	1.0
235.08206	12.9
253.09334	2.7
259.20609	1.0
263.07797	1.3
275.20020	1.0
277.09567	1.5
277.21735	100.0
278.22037	2.1
287.07828	3.0
305.08887	3.5
323.09793	1.5
356.80896	0.5
361.11319	0.6
379.12354	0.7
397.13535	92.8
398.13870	2.1
415.14603	39.3
463.55780	0.5
675.36261	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55772	8.6
59.01190	8.6
61.58411	9.6
62.26492	9.0
62.62247	8.9
66.81030	10.2
75.09041	11.2
76.68118	11.7
78.99258	10.6
86.46253	13.7
96.95885	19.0
97.43518	11.2
105.05158	9.4
113.00069	10.0
122.06048	15.9
128.03366	14.0
134.05971	18.4
136.07558	89.1
144.76065	10.3
166.08636	34.2
225.10338	20.5
240.11417	37.5
266.12970	100.0
266.15244	11.9
284.14014	13.7
292.10944	58.0
293.11664	26.8
299.60693	12.4
310.12109	35.2
316.15625	13.0
332.17728	17.3
381.16568	12.6
388.16718	25.3
390.18402	45.1
391.16425	13.5
433.22433	44.4
451.23468	40.7
459.20844	18.6
473.17874	17.8
510.32596	14.5
565.20258	14.3
614.29993	51.8
640.27985	62.8
658.29047	34.0
692.27710	26.3
718.25983	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	4.1
61.92434	3.5
74.38599	4.0
78.49923	4.0
82.02863	7.1
83.59184	3.5
96.95924	7.6
98.03912	4.2
124.04009	4.6
128.03442	4.6
133.02875	5.0
135.04442	14.4
148.04016	18.3
149.04761	11.0
150.05470	21.4
154.05106	4.2
161.04752	7.5
161.93628	4.2
164.03468	11.1
173.03564	12.3
174.04268	31.5
175.05069	15.8
177.02072	5.1
179.03445	29.0
189.06689	16.3
190.07387	42.0
199.48596	4.6
201.07895	9.6
202.07378	7.6
203.08089	4.5
203.79195	5.0
231.07750	14.4
232.08498	63.4
233.09427	6.5
241.09879	6.3
242.10684	5.5
244.08650	14.2
245.07028	5.5
245.09526	7.3
285.09009	4.7
286.09644	19.1
304.10886	5.2
423.20520	19.1
435.20508	5.7
459.21271	6.0
477.22113	11.0
495.22595	100.0
658.28888	54.1
692.28271	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93481	1.4
58.33266	1.3
59.01231	1.8
67.25983	1.3
70.54189	1.4
101.40721	1.8
117.83347	1.6
136.07536	2.1
143.96429	1.7
161.07108	3.0
161.10674	3.6
166.45593	1.6
174.04253	2.4
187.08711	3.2
190.07414	1.8
199.08696	3.3
200.09531	4.3
214.11102	6.6
215.08330	10.1
215.11821	34.2
223.08673	3.7
231.07890	2.6
232.08504	3.6
233.09322	1.8
239.08244	3.9
241.09801	100.0
242.10443	3.5
257.09351	1.9
259.10858	13.3
261.12479	2.1
268.08551	5.8
271.56729	1.8
285.08817	16.2
286.09601	14.4
303.09885	46.7
408.73343	1.9
466.09775	1.5
466.16174	36.4
473.64246	1.7
477.21732	9.1
495.22440	22.7
500.14764	10.6
511.20151	5.9
529.21503	9.8
658.28992	27.6
692.27698	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17188	3.1
63.94594	3.0
82.02874	11.3
119.04916	6.4
120.04449	4.1
120.46382	3.3
143.07884	3.8
147.03348	4.9
148.03938	26.4
149.04773	12.6
150.05510	32.0
154.05048	7.5
161.04790	15.0
164.03403	8.9
173.03548	10.9
174.04286	49.8
174.05649	3.1
175.05064	9.4
186.05545	5.5
189.06638	19.0
190.07410	55.3
190.08841	4.9
201.07983	7.9
202.07504	14.3
203.08308	5.1
214.11055	8.0
215.08305	6.4
217.09859	5.9
231.07712	19.0
232.08482	85.2
232.10591	6.6
233.09329	14.6
242.10669	5.7
244.08618	15.6
245.06978	6.4
245.09399	8.0
248.80400	4.1
262.09680	8.7
267.07913	4.9
268.08682	6.0
286.09561	28.0
287.10641	4.7
304.10803	5.4
310.57486	4.9
340.16589	6.7
363.96060	4.7
364.39285	5.0
365.16495	7.1
423.20764	11.8
467.17062	10.7
468.17374	4.5
477.21350	13.6
478.19537	8.5
495.22586	100.0
501.16238	6.9
529.21765	10.7
609.56818	5.0
640.27368	5.5
658.28937	76.9
692.27948	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	26.0
64.97914	1.6
69.44365	1.6
71.01232	8.4
73.02811	6.5
79.85358	1.7
84.04472	1.8
85.02824	4.8
89.02307	3.8
91.72906	2.8
96.95889	2.6
101.02310	5.3
102.05462	43.0
111.31796	1.8
113.02301	2.7
117.94320	1.7
128.03409	57.6
146.04463	16.2
205.87904	1.8
244.17336	2.1
244.19923	2.5
294.04828	1.7
339.41595	2.0
454.81494	2.0
521.27374	2.1
550.93536	2.6
563.28748	13.6
661.67493	2.6
674.31854	7.8
692.32861	100.0
693.33093	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99623	1.5
59.00106	1.3
59.01239	38.8
59.57229	1.5
71.01239	24.8
73.02794	5.6
83.01225	3.1
85.02797	5.1
87.00733	5.2
89.02299	28.0
93.37145	1.6
97.02816	3.6
101.02306	23.4
113.02304	11.1
119.03357	7.9
125.02312	7.9
143.03375	2.7
147.51971	1.6
161.04474	6.2
179.05521	3.5
221.06613	2.1
235.08168	12.3
279.23300	79.4
287.07632	3.3
303.23264	21.6
305.08716	5.6
397.13522	100.0
415.14609	35.2
737.35083	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64771	0.6
55.01731	1.1
58.00436	0.8
59.00012	0.8
59.01242	47.7
63.06580	0.6
69.03289	1.6
71.01239	27.2
72.99162	1.3
73.02807	4.9
75.00723	1.1
79.81697	0.5
81.03283	1.1
82.60796	1.4
82.61214	1.1
83.01236	3.5
85.02808	5.0
87.00732	6.1
89.02299	32.9
95.01206	1.4
97.02812	5.4
97.74030	0.6
99.00711	2.4
101.02303	25.9
109.02823	0.9
111.04358	1.2
113.02312	11.1
115.03829	0.7
119.03362	8.9
119.80443	0.6
125.01430	0.9
125.02303	9.4
131.03348	2.1
133.04875	1.3
139.03854	1.1
141.01593	9.7
143.03371	4.3
151.05077	0.7
156.26740	0.7
161.04480	5.9
167.03340	0.7
169.04913	0.7
179.05553	4.1
185.04399	1.1
217.07033	0.8
221.06535	2.1
223.01970	0.8
235.08192	10.8
245.06723	1.5
245.09096	0.7
253.09227	2.1
263.07700	1.5
275.06393	0.9
279.23297	100.0
280.23465	1.3
287.07779	3.0
303.23242	1.9
305.08755	4.4
323.09854	1.9
387.02383	0.8
397.13531	98.5
398.14166	1.0
415.14581	32.6
432.61795	0.7
470.56653	0.8
518.82159	0.8
677.38043	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87032	0.1
58.02829	0.3
59.00130	0.2
59.01241	13.5
59.02512	0.2
59.58815	0.1
60.82881	0.1
65.29470	0.1
70.02850	0.1
72.04382	0.1
75.25976	0.1
80.04920	0.2
81.03310	5.0
81.05322	0.1
82.06476	0.3
83.03026	0.3
83.04877	16.8
83.07025	0.2
91.73362	0.2
100.07549	0.2
107.06004	0.5
108.04414	0.6
125.07072	1.3
126.05474	0.5
140.11740	0.1
143.08133	0.6
144.53105	0.1
157.13347	0.2
166.12198	0.1
181.16983	0.2
183.14897	0.1
199.18091	0.2
207.14969	1.6
208.13211	0.1
222.16057	0.1
224.17642	3.3
224.42793	0.1
225.16043	14.5
226.16356	0.2
242.18727	0.8
250.15662	0.2
251.13953	0.1
255.11472	0.1
268.16565	0.2
290.22348	0.2
291.20532	0.1
308.23413	0.1
309.21814	1.0
324.26511	0.7
333.22980	0.9
334.21411	0.1
339.27585	0.1
341.29245	1.2
351.24011	0.3
367.27130	1.4
385.28372	0.3
390.31717	0.1
407.33902	0.2
423.75006	0.1
433.31927	1.4
450.34549	1.5
451.09256	0.1
451.32916	8.5
452.33032	0.2
468.35583	0.2
476.32388	0.1
516.39038	0.1
535.38141	0.2
550.43280	1.2
559.40192	0.5
565.44653	0.4
567.46326	0.2
577.40527	0.2
593.43982	0.7
659.48688	2.5
660.48596	0.1
677.49756	100.0
678.50031	4.1
704.51111	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74787	0.8
59.01237	2.7
61.97318	1.3
61.98695	100.0
61.99946	1.7
66.13663	0.7
71.01240	1.8
78.01704	0.7
84.62503	0.8
89.02288	1.7
101.02319	1.9
102.07716	0.8
103.62820	0.8
116.82310	0.9
117.37798	0.9
119.03387	1.4
126.69405	0.8
197.89230	0.9
239.90108	1.0
277.21838	2.0
278.22052	2.4
281.08823	1.0
296.07733	1.1
324.05032	1.0
372.60251	1.2
397.13336	2.2
398.13867	2.9
399.14096	2.4
473.55466	1.2
573.47864	1.1
620.20801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	11.3
59.01513	1.2
61.98697	1.5
65.18884	0.8
66.43755	0.9
69.64936	0.8
71.01249	1.8
73.02814	1.3
78.77075	0.9
89.02341	1.6
91.73339	2.1
93.06979	1.2
95.33066	1.0
101.02353	2.5
111.94282	1.0
129.20482	1.0
135.11717	2.5
147.11676	9.1
147.54530	1.0
153.14462	1.0
191.10721	10.9
203.19374	1.0
209.11813	15.2
209.13666	1.7
235.08292	2.8
251.20160	100.0
253.09323	9.3
255.23416	1.6
262.60455	1.1
344.51266	1.0
370.54535	1.1
460.52478	1.3
475.32614	1.0
487.29272	1.4
522.96222	1.1
525.62506	1.1
628.63776	1.3
739.40344	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62168	0.6
59.01244	2.3
61.97306	1.5
61.98694	100.0
61.99901	1.7
63.22244	0.5
66.81210	0.5
66.96826	0.4
71.01241	1.3
89.02309	1.4
98.03117	0.7
101.02321	1.1
104.61488	0.5
119.03354	0.8
129.86534	0.5
159.86685	0.5
172.27911	0.5
174.79413	0.5
235.05962	0.6
235.08115	0.6
279.23447	2.1
280.23654	3.0
281.24002	1.4
344.85760	0.6
380.60327	0.6
397.13672	1.6
398.13965	2.0
399.14008	2.6
400.14410	1.4
417.15210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02190	1.2
57.03305	2.0
59.01225	3.1
59.30882	1.3
61.98696	10.5
63.08178	1.3
64.37247	1.3
78.95760	53.0
81.78893	1.5
82.81011	1.6
91.72633	2.7
96.96826	13.6
97.06432	8.1
100.00054	1.5
100.75485	1.6
102.28495	1.4
107.88050	1.6
123.08021	4.7
125.09595	68.3
130.25471	1.6
152.99481	12.6
157.77681	1.5
167.79436	1.7
169.15207	1.6
184.65793	1.8
187.09682	50.4
187.11343	2.7
223.00136	4.8
223.27583	2.1
241.01195	29.4
255.23317	21.2
259.02194	2.3
435.58371	1.7
485.14200	3.1
586.82562	2.0
741.38403	100.0
742.38654	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64344	13.6
59.01246	26.8
61.98691	100.0
65.29549	11.9
66.90914	11.5
67.57006	12.7
74.63271	12.2
75.85576	11.8
75.96191	12.7
78.95760	33.7
84.16147	13.6
91.73283	28.4
96.52651	13.5
170.27315	19.4
284.68384	17.3
429.83350	18.6
443.82516	18.7
741.40399	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	16.1
60.06063	10.6
61.13513	10.3
61.25179	9.9
61.98692	100.0
63.74034	10.7
67.16988	9.9
67.72573	11.8
78.95757	22.1
80.96339	16.0
99.48915	12.2
163.36526	13.0
166.99142	15.2
250.38919	13.8
277.21997	18.6
518.68671	16.4
741.40790	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78763	3.5
66.99186	3.9
73.45313	4.0
91.72758	5.5
102.05504	9.9
120.08054	8.8
122.06015	15.6
128.03392	33.3
136.07550	52.3
146.04501	7.8
160.61874	5.4
239.12059	12.5
253.13622	13.7
265.13550	6.3
269.13019	7.9
279.11322	9.1
281.12982	12.5
388.20248	6.0
446.20819	9.8
561.68127	5.7
569.27606	21.5
680.30627	9.1
698.31799	100.0
708.75616	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	8.1
66.07923	0.2
68.44249	0.2
68.99678	0.2
71.01237	1.5
73.02795	0.5
77.59351	0.2
83.01225	0.4
83.04874	0.3
85.02799	0.8
85.82576	0.3
93.03304	0.7
96.99178	0.3
99.04378	1.3
101.02309	1.2
106.43162	0.3
107.04848	0.3
108.02024	4.3
109.02815	4.2
113.02301	0.5
121.01482	0.3
121.02827	1.7
122.03603	20.0
123.00478	0.9
123.04388	100.0
123.07771	1.2
124.04726	0.6
137.02335	3.4
165.05464	1.9
203.05554	3.8
207.06578	0.6
240.47157	0.3
267.08780	1.1
316.24069	0.3
327.10861	13.2
391.02228	0.3
740.85938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88682	17.9
54.27981	13.3
56.22368	16.8
59.01234	32.3
61.20166	15.7
61.98690	100.0
64.01988	16.2
65.15008	14.0
67.49969	14.8
78.95744	47.4
91.33760	18.3
91.73389	45.0
112.08563	16.8
115.26605	20.4
142.43301	21.3
164.00003	18.9
178.88409	19.1
209.11728	21.7
255.23303	84.7
279.23270	25.2
397.08441	22.9
655.13153	22.1
743.45404	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46623	15.1
59.01242	25.6
61.98694	100.0
61.98952	12.8
78.36343	16.0
78.95752	40.5
84.75862	18.5
109.67653	19.6
114.34776	15.8
133.02544	17.5
144.35062	20.8
152.99518	42.4
155.99350	19.5
194.64912	19.2
235.61057	18.1
255.23309	93.6
257.93320	19.5
367.28134	24.2
436.18683	23.3
439.72418	23.0
528.55414	21.5
743.46021	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74603	2.4
59.01236	9.9
61.47827	2.6
61.98691	4.4
64.85481	2.4
77.40620	2.4
78.95768	4.0
104.89060	2.7
109.93048	3.1
110.26001	2.5
131.61497	2.5
135.11700	3.4
147.11679	7.5
152.99487	3.5
191.10721	10.3
209.11835	13.8
235.08203	4.4
248.77496	2.9
253.09273	8.1
255.23311	100.0
292.04358	3.1
466.12576	2.7
743.47083	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72673	0.9
72.00761	2.2
74.02325	4.8
82.02850	2.2
109.02862	2.6
116.04920	11.2
119.04897	82.4
123.05511	1.5
123.06998	1.0
127.05019	7.4
128.03410	86.3
141.06606	4.4
142.06485	2.5
159.09189	3.5
163.03906	100.0
163.09532	1.2
167.04538	10.7
185.05595	4.1
203.08192	29.3
205.04884	1.4
270.12497	1.9
314.11514	14.1
332.12543	45.9
351.63312	1.2
455.26376	1.4
494.53119	1.3
655.07306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64433	1.1
59.00967	1.8
59.01245	21.2
67.31061	1.0
71.01241	11.3
71.53018	0.9
73.02787	2.3
83.01238	1.6
83.87513	1.0
85.02820	2.6
87.00706	2.0
87.31902	1.2
89.02295	4.4
89.95222	1.1
95.01260	1.1
101.02324	8.3
110.06525	1.1
113.02306	3.4
119.03371	1.3
125.02381	1.1
128.03421	2.3
133.02840	8.6
135.04411	3.1
151.00235	6.5
151.24091	1.2
191.25424	1.3
193.12334	2.9
195.03122	1.2
199.03903	2.0
201.01904	1.3
211.13336	8.9
285.04083	38.3
287.05710	2.3
355.17661	9.6
373.18689	31.3
415.19781	100.0
416.20248	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04367	2.4
59.01242	100.0
61.42995	2.3
62.89543	2.1
64.68044	2.5
67.17278	2.8
69.03319	2.8
70.66675	3.0
71.01239	35.3
73.02806	46.1
75.49865	2.2
83.01250	13.8
85.02808	11.1
89.02294	22.3
95.01244	3.2
96.95866	7.4
101.02309	51.5
113.02316	28.0
119.03364	9.9
125.02329	3.5
128.03398	6.4
131.03366	5.0
143.03387	10.2
149.04459	6.8
161.03337	2.9
161.04475	18.2
179.05576	10.4
221.06656	3.0
264.86365	3.0
338.26874	3.2
609.06732	4.6
745.31500	3.9
755.52124	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.43
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28276	4.7
59.01242	32.2
61.98696	97.4
71.01207	6.6
78.95750	36.4
82.95265	7.0
87.64369	5.1
88.15844	5.3
89.03814	4.8
91.73368	16.9
95.22459	5.5
96.96840	6.4
140.01123	8.5
152.99480	18.7
171.10068	9.4
209.11844	7.5
255.23296	100.0
256.23618	25.9
272.32361	7.3
279.23441	12.8
281.24948	19.8
291.19690	28.2
292.20004	10.0
309.20657	30.4
310.21078	14.7
315.06204	7.2
413.55746	7.1
504.91721	6.5
744.48389	19.9
745.49554	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43251	0.9
62.56154	0.8
64.79605	0.9
66.22147	0.9
68.81607	0.9
76.15972	1.0
76.22784	1.1
96.95876	1.7
102.05477	8.9
108.04414	1.4
108.08072	6.5
120.04422	1.4
121.03440	1.2
122.05983	5.2
124.07529	1.1
128.02560	2.0
128.03418	26.6
132.04431	8.8
133.05193	3.7
134.05989	4.4
146.04469	7.4
148.03926	1.9
148.05008	1.1
150.05496	15.3
160.07561	2.0
162.05472	1.8
165.04236	4.8
176.07135	2.2
186.05559	2.0
186.09146	8.5
187.08685	1.7
188.07112	1.4
198.09132	4.8
199.08728	1.8
212.05836	2.9
212.10680	2.3
213.06622	5.9
213.10172	1.5
213.18221	1.3
225.06624	3.2
226.07388	5.9
227.08192	5.8
228.05382	3.5
229.09836	17.8
239.08162	4.1
240.08904	6.8
240.10287	7.3
241.06165	1.8
241.09793	26.1
255.11377	14.6
257.12933	13.4
265.09842	5.3
267.07733	1.4
268.08560	3.3
271.14542	3.8
272.07974	3.1
283.10895	100.0
301.12003	15.6
301.67679	1.2
302.11905	1.4
324.17343	1.2
327.09900	37.0
352.12637	1.2
386.17484	1.6
430.16357	2.7
456.14053	8.4
581.24200	5.3
599.25116	13.4
617.26019	7.0
686.28314	4.5
704.23419	1.4
728.29425	16.4
746.30420	41.9
747.30811	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35762	2.8
61.71417	3.1
96.95893	7.9
102.05466	13.5
122.06004	10.8
122.71007	4.0
128.03409	85.6
134.06044	5.2
140.07106	4.6
142.04991	7.8
146.04472	28.6
146.05965	4.5
148.07509	4.1
150.05495	9.7
162.05531	6.4
193.09752	7.5
211.08745	4.9
215.11964	6.7
225.10245	4.9
226.07321	3.9
226.12407	9.5
227.08220	9.8
227.11931	9.4
229.13396	6.9
239.08243	10.7
240.08949	10.1
241.09828	20.0
242.10774	3.4
243.11450	6.4
251.08267	3.7
253.09863	16.6
254.10683	7.4
255.11354	34.3
257.12878	6.0
267.11414	18.0
269.13031	35.1
270.10123	20.7
271.10873	4.8
280.08560	5.4
285.12445	63.0
294.95251	3.8
295.10880	73.6
301.11783	3.7
303.13531	14.9
313.11957	11.9
340.16663	14.9
398.17484	5.6
442.16165	58.7
443.17093	15.1
581.24481	10.2
599.25543	5.5
617.26019	8.9
713.16968	4.3
716.29828	4.9
728.29523	29.1
746.30566	100.0
757.46844	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87484	0.7
59.01233	0.7
84.04416	0.7
90.99930	1.0
96.95866	0.6
102.05466	13.8
111.54962	0.6
118.44523	0.6
122.05988	1.7
127.99727	0.7
128.03406	43.6
146.02095	0.7
146.04477	19.4
146.05833	1.0
146.06059	1.4
147.39281	0.6
148.03934	1.0
162.05637	0.9
165.06573	1.2
173.38022	0.7
192.99242	0.6
198.09209	1.7
201.06630	0.8
213.10271	1.3
224.10938	0.8
225.10309	0.8
226.12373	10.9
226.14552	0.7
227.11926	2.5
237.07951	0.9
238.07582	0.8
239.08286	1.7
239.11859	1.2
240.09050	1.8
241.09798	3.8
251.08307	1.7
251.11888	1.9
252.10709	3.5
253.09796	12.6
254.10565	4.7
255.11427	0.8
257.05630	0.7
260.82974	0.7
265.09735	0.8
267.11374	12.3
269.12979	29.9
271.10974	0.8
277.09891	3.0
279.07803	0.8
280.08551	3.8
295.10880	57.9
296.11258	1.1
312.13306	1.0
313.11923	10.3
331.13058	2.0
336.17282	1.4
338.15308	1.7
354.18134	1.1
378.47775	0.7
380.16064	0.9
398.17279	5.2
424.15182	1.3
442.16235	32.2
449.16354	0.7
460.17294	100.0
461.17520	3.2
683.20508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.4
61.98689	4.7
76.06862	1.0
78.95758	37.3
96.96795	1.3
104.59421	1.3
116.13712	0.9
118.45383	0.9
122.00008	2.8
122.03582	1.3
136.05191	1.3
140.01057	13.9
152.99495	7.3
167.14296	1.9
196.03757	10.4
207.17549	1.3
223.20592	2.0
249.18590	11.5
255.23286	34.2
267.19659	99.0
268.19904	2.3
275.16550	12.2
293.17599	47.7
294.85294	1.1
307.60120	1.1
311.18640	40.6
328.85580	1.0
434.26788	1.4
447.17865	1.9
452.27853	3.6
473.64087	1.1
483.51025	1.1
490.22223	8.3
543.23743	1.2
564.86884	1.2
657.82513	1.4
728.44806	1.4
746.46240	100.0
747.47589	5.8
761.46393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64901	0.8
54.76482	1.5
59.01245	23.1
63.02265	1.1
65.00175	5.4
69.03328	0.8
71.01237	7.4
72.99194	1.1
73.02826	3.4
83.01244	4.8
85.02831	4.1
85.41631	1.0
87.00758	1.9
89.02317	2.7
97.85281	1.0
99.00784	1.9
101.02324	7.0
107.01245	11.0
109.02811	1.4
113.02335	3.9
114.66827	1.0
124.55182	0.9
125.02354	4.3
133.13310	1.0
134.03711	1.1
135.04395	61.7
151.00261	57.7
152.00679	1.5
181.12396	1.2
193.12354	3.1
211.13365	8.1
212.13829	1.2
216.43657	1.0
285.04108	3.3
286.04434	1.4
287.05621	39.8
355.17633	8.7
373.18695	31.5
374.19147	1.3
415.19763	100.0
416.19928	6.1
417.20636	3.0
602.05597	1.4
743.81683	1.1
756.63409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25926	0.3
61.98690	0.6
67.40390	0.3
71.01254	0.3
78.95766	1.9
79.95570	1.8
87.95078	0.3
94.92365	0.8
96.92072	1.3
96.93414	1.3
96.95870	100.0
96.96864	3.4
96.98656	1.0
100.19884	0.3
150.45865	0.3
151.51971	0.3
218.19513	0.4
218.28763	0.3
299.27194	0.3
316.23785	0.4
328.91245	0.3
330.15607	0.3
435.08228	0.5
691.32257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.6
58.02843	9.1
59.01229	5.3
71.01239	8.6
72.54120	1.4
80.04913	1.5
81.06715	1.4
83.01236	6.3
84.04373	1.5
85.02837	1.6
87.00727	2.5
88.03931	1.4
89.02299	98.3
92.61699	1.3
94.02841	2.8
95.02118	1.4
96.04384	2.3
96.95844	2.3
97.02837	1.5
98.02346	2.3
100.03899	35.8
101.02292	4.6
105.00388	1.3
108.04467	1.5
111.04264	1.3
112.03901	10.5
112.76620	1.2
113.02323	1.7
114.05478	1.9
115.79233	1.3
119.03431	1.4
124.03858	2.0
125.02303	3.1
126.05443	1.9
128.03427	2.0
130.04948	1.4
132.73376	1.5
136.03891	1.7
138.05516	6.5
140.03528	1.5
142.04982	10.8
152.03371	1.6
154.04994	10.5
166.04985	3.9
184.06108	9.0
197.67450	1.7
202.07112	5.9
206.86812	2.1
232.08182	3.0
256.08310	7.7
274.09326	27.3
378.48874	1.8
380.03860	1.6
459.16098	4.3
477.17264	15.5
662.24066	4.1
680.24738	7.0
752.27344	100.0
753.28912	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99989	2.1
59.01242	100.0
71.01241	6.5
71.80473	1.9
72.00762	11.0
73.02791	2.6
74.02340	3.0
96.95849	2.2
97.20881	2.3
99.04535	1.8
101.02319	4.2
113.01057	21.8
114.01843	6.7
115.07526	8.4
116.04927	33.6
142.08635	7.3
161.04520	4.7
169.07658	6.4
170.08148	27.2
182.85962	2.1
198.07875	6.4
203.08205	5.3
213.06622	35.4
255.14954	11.1
299.14017	56.6
307.17624	6.5
344.19781	9.1
349.18585	18.6
358.21622	4.8
554.24921	2.8
571.83667	3.1
769.53021	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99989	2.1
59.01242	100.0
71.01241	6.5
71.80473	1.9
72.00762	11.0
73.02791	2.6
74.02340	3.0
96.95849	2.2
97.20881	2.3
99.04535	1.8
101.02319	4.2
113.01057	21.8
114.01843	6.7
115.07526	8.4
116.04927	33.6
142.08635	7.3
161.04520	4.7
169.07658	6.4
170.08148	27.2
182.85962	2.1
198.07875	6.4
203.08205	5.3
213.06622	35.4
255.14954	11.1
299.14017	56.6
307.17624	6.5
344.19781	9.1
349.18585	18.6
358.21622	4.8
554.24921	2.8
571.83667	3.1
769.53021	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90290	0.4
59.01233	0.9
63.60974	0.4
71.01218	0.5
72.99160	2.4
75.00729	100.0
75.02475	1.5
83.04877	1.3
145.82867	0.5
172.31152	0.5
225.16129	0.8
241.09766	0.6
250.89012	0.6
462.03720	0.6
677.49896	7.0
693.48853	3.9
753.52252	1.4
756.71924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	5.0
66.86761	1.8
71.01246	17.4
72.57309	2.0
73.02788	6.0
75.00726	2.7
79.64120	2.1
85.02826	3.7
85.30978	3.2
90.34341	2.2
95.04847	3.2
101.02303	4.6
102.05479	37.2
104.42867	2.5
108.04423	2.7
110.18417	2.3
113.02369	3.4
122.05994	33.3
124.07598	3.8
128.03407	84.8
128.11278	2.2
132.04443	7.8
133.05209	3.1
146.04527	18.6
146.06000	9.0
150.05495	12.6
160.07613	21.7
186.05630	7.4
186.09117	3.2
186.17084	2.4
188.07092	46.5
197.74023	2.6
200.07050	3.0
202.08621	5.1
205.07399	2.8
212.10687	3.0
215.11919	2.9
217.07568	2.8
221.06923	4.4
226.07353	4.0
226.12387	6.8
227.08261	2.8
229.09908	6.2
239.08391	3.1
240.08922	3.3
241.09740	18.8
252.11053	4.5
253.09724	14.5
254.10443	5.9
255.11400	7.9
257.12949	7.1
265.09824	6.1
267.11465	14.0
269.12918	22.7
275.99594	2.6
279.11493	3.2
281.09549	4.0
281.12943	4.8
283.10925	20.1
283.14264	4.7
293.12949	3.8
295.11060	28.0
295.14215	3.8
296.10184	3.7
297.12387	3.4
305.12924	4.0
309.12460	9.5
311.14285	15.5
313.12164	5.9
313.15723	6.7
321.12561	5.8
323.13965	35.2
325.11990	6.0
337.11942	4.7
339.13629	9.6
341.15250	5.8
343.16864	3.5
345.27902	3.4
349.12070	8.9
351.13364	4.4
355.13196	13.2
357.14664	7.3
367.12994	23.8
369.14633	10.2
373.13919	3.7
385.14047	15.9
387.15720	4.3
391.13058	4.8
397.13998	7.2
398.17279	4.2
409.13971	9.1
415.15134	4.2
427.15140	10.7
442.20087	3.1
445.16345	9.3
484.17163	22.8
496.17313	10.3
502.18259	15.6
514.18304	65.9
516.19928	8.3
526.18475	3.1
538.18170	5.2
544.19324	27.7
555.42169	2.7
556.19373	29.1
574.20447	100.0
575.20502	4.2
694.24689	10.4
736.26074	5.8
754.26868	61.6
755.26697	3.4
772.03290	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54810	0.2
57.09194	0.2
59.00972	0.2
59.01241	2.7
59.41623	0.2
71.01234	0.4
73.02764	0.2
85.02798	0.3
93.00828	0.7
93.03313	51.6
94.03665	0.4
99.04407	0.3
101.02285	0.3
108.02036	0.8
109.02799	0.8
121.02839	0.5
122.03606	4.2
123.04387	18.9
136.97896	1.1
137.02318	100.0
137.06001	3.2
138.02661	0.9
151.03882	1.4
170.20024	0.2
179.03455	1.2
179.04823	0.2
203.05559	0.8
221.56561	0.3
248.31465	0.2
327.10745	1.4
341.08762	1.6
347.85706	0.2
375.94019	0.2
417.64865	0.3
534.07086	0.2
659.57617	0.3
659.82178	0.3
756.75964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	2.6
63.17714	2.4
69.09688	2.5
85.59381	2.7
87.05495	6.3
96.95888	3.4
98.02331	2.9
99.05411	3.4
113.03433	12.2
118.77236	2.7
119.04906	4.9
119.98471	3.0
125.82640	2.9
129.06558	3.5
129.09402	2.7
129.10240	12.2
134.63156	2.8
137.22726	2.7
202.05057	8.2
212.10399	3.6
218.09569	3.8
221.82317	3.3
226.11899	4.7
234.07806	4.2
242.09691	6.6
242.18797	9.7
260.10831	9.0
373.22940	3.9
416.52127	3.8
486.27316	5.5
710.71295	3.7
721.36084	100.0
722.36743	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73521	21.2
59.01237	52.0
61.98691	66.2
78.95737	48.9
87.48345	21.3
94.50326	20.7
109.06466	33.2
130.51347	21.1
172.87262	22.6
179.43895	27.4
197.11688	26.2
239.75955	27.9
253.09294	42.5
279.23349	100.0
388.62900	30.4
658.82526	34.5
719.54437	33.8
757.40338	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39071	1.9
82.13522	2.1
84.04401	4.1
91.72730	3.4
94.06473	4.1
96.95867	5.8
99.04927	2.2
102.05480	17.8
107.03621	3.5
119.09339	2.4
120.08054	10.3
122.06000	24.9
124.01527	2.5
124.78265	2.3
128.03415	39.5
132.04445	4.8
134.06018	7.9
146.04492	9.2
152.07056	33.7
153.59735	2.4
180.81746	3.0
182.00327	2.8
191.22354	2.7
193.45383	2.7
203.67476	2.4
224.09317	2.8
224.71185	2.9
225.10300	5.0
237.10376	3.9
238.11160	5.3
239.11891	16.1
251.11760	5.5
253.11205	2.7
253.13351	16.3
253.86461	2.5
263.12146	2.7
265.13437	4.1
267.11316	3.4
269.13116	6.1
279.11411	11.1
279.14743	4.0
281.46796	2.6
287.13867	4.0
297.12482	15.9
299.76270	3.3
323.68591	2.5
360.16495	3.4
418.21555	4.9
444.19360	3.1
462.20346	7.6
567.26129	3.8
585.27252	24.5
592.25513	5.4
670.31384	3.5
696.29987	3.4
714.31482	100.0
715.31927	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88208	3.8
59.01254	4.3
63.79935	3.7
63.80316	3.9
74.02326	41.2
74.78157	5.2
82.50369	4.6
84.04420	6.8
88.34944	4.6
96.95866	10.2
100.00236	8.9
104.03384	18.4
116.03428	5.5
120.08062	23.1
122.05972	18.7
125.02337	12.3
151.57126	4.4
171.55426	5.0
171.69780	5.1
177.10245	8.3
227.11894	5.7
253.13440	14.6
253.17047	10.4
322.19116	7.6
342.14716	5.7
372.16214	6.3
384.15326	6.9
515.21704	25.8
596.41260	6.5
637.27301	20.8
759.33752	100.0
760.35565	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79472	12.9
59.01237	52.8
61.98690	23.5
70.17922	14.4
71.01240	29.1
89.02310	47.7
101.02309	38.8
105.72059	16.0
117.64973	15.7
119.03375	23.1
123.10606	15.7
164.44331	15.0
301.21716	92.9
301.64725	16.4
397.13528	100.0
415.14612	57.3
734.21387	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	0.7
62.43262	0.5
64.06145	0.6
73.64640	0.5
74.02307	0.6
78.71252	0.6
82.02847	2.3
84.04401	1.7
91.72669	1.5
95.90956	0.5
103.03630	0.6
106.98119	0.6
109.03963	1.0
112.03867	0.8
118.49265	0.7
119.04883	1.6
127.05009	1.5
128.03409	100.0
128.07253	1.3
129.03780	0.7
130.08618	32.3
135.02859	0.8
141.10228	1.1
144.02174	0.6
162.59486	0.6
163.03865	2.9
167.04414	0.7
179.11813	0.7
180.10263	0.8
195.07724	1.6
197.12862	10.3
215.14023	0.7
217.68507	0.6
223.10872	3.6
239.06767	2.2
241.11922	20.8
259.13004	12.9
281.06717	1.4
282.18268	0.8
308.16272	1.1
352.15140	2.7
370.16205	10.0
388.17300	65.0
389.17477	1.4
706.51941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.7
58.00446	2.5
59.01243	74.9
66.82501	2.5
71.01237	61.6
71.01584	4.6
72.99207	3.2
73.02810	26.3
82.02868	4.4
83.01251	6.3
85.02802	28.4
87.00755	4.3
88.62989	2.5
89.02296	87.0
91.72731	6.0
95.01250	3.2
97.02834	11.3
99.00765	5.6
101.02305	90.9
112.03931	5.0
113.02306	47.8
113.02973	3.5
119.03356	39.0
120.04465	4.8
122.12379	2.9
125.02360	5.5
131.03455	7.2
135.25673	3.0
136.09235	3.0
136.68317	3.4
143.03409	10.6
148.03932	24.3
149.04697	9.0
150.05484	39.7
160.04041	5.1
161.04559	41.5
162.05557	4.1
163.02695	5.8
164.03503	12.8
173.03506	6.4
174.04243	37.1
174.05537	5.4
175.05080	14.4
175.06277	5.7
179.05528	100.0
185.04613	3.0
187.06328	7.2
188.07193	5.4
189.06689	13.5
190.07379	50.7
191.08267	9.8
198.66045	3.3
201.07985	8.4
202.08847	4.2
203.08237	4.6
214.11177	7.2
221.06627	45.6
231.07816	8.3
232.08484	54.9
233.09320	14.7
241.09807	5.7
243.07854	4.7
244.08649	12.9
244.10056	8.7
245.09421	7.4
247.81133	3.5
249.05624	3.9
281.08841	5.9
286.09769	11.0
289.09677	5.5
303.10007	4.0
304.10739	5.6
323.09750	5.0
332.62009	3.7
341.10873	22.1
383.11966	68.3
399.20560	5.5
466.16949	5.4
467.16977	8.5
479.24811	3.9
482.24091	28.0
494.24646	5.2
494.95523	4.0
503.28528	3.9
518.24103	3.6
536.25354	10.7
537.23529	4.9
554.26239	99.1
589.20007	66.2
645.31268	7.3
675.23328	44.6
699.31750	13.2
717.32599	50.9
761.27191	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02810	3.5
54.16340	3.8
56.74901	3.5
56.98459	3.9
59.01197	4.1
64.31818	3.8
67.16953	4.2
81.25691	4.7
83.80459	4.0
84.56807	4.5
85.28611	4.8
96.95901	6.5
112.03902	5.8
148.03915	28.2
149.04747	5.2
150.05489	40.3
160.03923	6.6
161.04666	14.2
164.03436	10.6
173.03468	8.2
174.04216	31.1
175.05057	13.7
186.05458	6.9
189.06731	13.4
190.07405	53.4
201.07877	8.4
202.07269	8.8
217.07388	8.1
231.07666	6.9
232.08521	68.3
233.09314	15.1
244.08258	10.8
245.09274	6.4
268.08539	6.2
286.09702	16.3
424.20190	6.2
467.16998	7.3
476.59070	5.7
482.24316	28.9
494.24646	7.9
504.02759	5.8
518.24261	6.7
536.25220	18.8
537.23895	11.9
554.26263	100.0
586.59589	5.9
717.32471	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31419	2.2
57.03309	2.0
59.00969	3.7
59.01244	49.3
61.98707	2.9
67.61056	2.3
67.73102	2.2
71.01244	27.8
73.02814	3.7
78.95764	3.2
85.02780	4.0
87.00745	6.8
89.02303	29.3
101.02310	21.3
111.00958	3.0
113.02319	10.5
119.03365	8.2
125.02322	7.3
141.01579	11.8
143.03375	4.3
151.86363	2.9
161.04492	5.6
179.05542	6.1
186.35397	2.6
235.08229	12.6
238.96928	2.7
253.09325	5.7
256.72021	2.8
259.24374	3.5
287.07675	4.0
303.23300	100.0
305.08755	3.1
397.13550	93.3
415.14551	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	44.4
69.03320	1.8
71.01234	27.0
73.02808	4.1
76.65782	1.5
82.95294	3.2
83.01244	4.1
85.02805	6.8
87.00751	5.1
89.02294	32.3
97.02801	6.6
99.00771	2.2
101.02296	23.5
113.02309	11.9
119.03369	8.8
120.03762	1.4
125.02303	10.3
131.03380	1.6
143.03413	5.1
143.32800	1.7
161.04482	6.5
179.05606	4.8
200.10933	1.9
221.06717	3.4
235.08212	10.9
253.09346	4.1
259.24359	3.4
263.07751	2.4
287.07733	4.4
303.23306	100.0
305.08871	2.8
323.09930	1.8
330.87619	1.8
397.13528	90.5
415.14569	43.1
755.45441	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.6
63.60443	0.7
67.33305	0.7
78.95757	21.7
89.25446	0.7
90.29496	0.8
96.96809	2.0
102.37544	0.9
102.38092	0.8
103.24619	0.8
109.06937	0.8
113.09614	0.9
150.99632	0.7
152.99474	21.8
155.35069	0.8
159.87857	0.7
171.00542	4.2
180.45132	0.8
195.13824	6.0
209.02127	0.8
216.20026	0.9
218.04305	0.8
221.76363	0.7
227.03313	1.1
255.23293	100.0
256.23630	3.5
277.21683	9.2
278.22021	2.2
295.22787	24.7
303.23291	5.6
304.23608	2.5
394.03717	0.9
431.22086	2.8
444.33670	1.1
465.26169	1.1
471.64175	1.0
505.25754	1.9
761.49731	62.3
762.49994	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81410	0.4
65.64810	0.4
68.53395	0.5
72.62366	0.4
78.95762	17.7
94.45214	0.4
96.96825	1.2
102.37483	0.8
102.38171	1.1
113.09563	0.8
126.38745	0.7
134.98366	0.7
152.99481	18.1
171.00551	3.7
171.10147	0.5
195.10907	0.5
195.13834	5.8
227.03223	1.0
255.23296	100.0
256.23596	3.0
269.21277	0.8
277.21683	5.4
293.21268	0.5
295.22781	27.1
296.23212	0.6
431.22101	3.2
452.59747	0.5
465.26334	0.9
505.25626	2.6
523.27155	2.2
594.67029	0.6
761.49774	63.1
762.50238	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	77.2
63.40292	9.3
68.68641	8.6
71.01219	15.8
73.02807	27.2
78.95732	10.4
80.32950	13.5
101.02313	27.9
113.02288	15.3
115.85885	10.4
120.63432	11.4
121.02798	45.4
128.03450	19.5
148.03961	18.6
149.04697	14.5
150.05536	34.3
164.03569	13.7
174.04201	57.4
175.05107	13.1
189.06613	21.2
190.07420	45.9
210.47461	13.0
213.10440	13.9
215.11879	18.2
232.08609	51.1
241.09897	32.6
253.14845	13.2
254.38994	14.0
286.09860	20.3
413.57352	13.7
466.16510	28.2
483.22159	23.5
537.23669	23.0
555.24908	89.4
718.31281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83952	3.5
59.01238	4.9
61.85730	3.3
63.63431	3.4
64.77771	3.6
82.02847	10.2
87.32538	3.9
100.03909	4.7
102.94676	4.3
121.60308	3.7
128.03429	7.6
147.03194	4.8
148.03918	21.1
149.04720	12.2
150.05490	43.7
154.05070	4.5
160.03873	5.1
161.04730	17.7
164.03430	11.4
171.07594	4.0
173.03490	16.9
174.04248	43.5
174.05542	6.6
175.05042	17.0
175.06372	10.1
181.02798	4.0
187.06369	7.6
188.07181	5.2
189.06670	14.6
190.07384	48.3
191.08241	6.9
201.07912	8.1
202.07381	10.5
214.11107	5.0
231.07813	14.2
232.08481	71.2
233.09303	17.0
241.09825	8.8
242.10471	7.7
244.08249	25.7
245.09283	8.4
262.09583	8.3
285.08841	5.1
286.09695	18.3
287.10583	6.1
303.95377	4.9
304.10638	10.2
341.05966	4.6
400.18762	6.3
409.73083	4.7
467.16772	24.9
483.22284	28.8
495.22366	9.8
521.51239	4.4
537.23578	22.1
542.54810	5.0
555.24603	100.0
613.12097	5.3
700.30212	12.8
718.31256	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4568
Annotation	Rolloamide A
Peak:m/z	Relative Intensity
59.01238	12.1
61.98680	6.8
72.97050	3.1
78.95759	63.4
83.04880	8.7
106.69457	3.3
108.26878	3.5
111.04372	17.1
121.99918	4.2
124.69791	3.3
140.01074	18.6
152.99495	9.3
153.12743	13.2
157.61960	3.5
162.83849	30.9
181.12248	17.0
195.13857	6.4
196.03711	10.1
197.11807	5.0
199.13321	25.5
207.10335	18.2
215.12878	7.6
225.11255	24.9
237.18512	4.7
239.12808	24.4
255.23280	98.0
265.18085	21.6
283.19165	78.1
291.16107	4.9
309.17239	19.2
327.18253	8.0
374.54776	4.1
452.28165	5.5
634.40527	5.2
665.18994	4.1
688.42249	16.8
702.43518	10.0
718.47046	12.5
726.26904	7.6
744.44739	10.0
756.17053	4.4
762.45813	100.0
763.44617	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94159	0.3
59.01234	1.2
62.96267	0.4
66.44367	0.3
71.01234	1.0
73.02782	0.3
73.86606	0.3
74.76673	0.3
78.62798	0.3
78.93859	0.5
78.95761	42.5
79.78537	0.3
79.95586	2.3
85.02785	0.5
85.84940	0.3
89.02291	1.5
90.44438	0.3
96.93272	1.2
96.95875	100.0
96.96825	72.1
96.98139	1.1
96.99131	0.8
101.02303	1.0
113.02292	0.6
113.03439	0.3
119.03378	0.7
127.04984	0.5
128.03387	0.6
131.04494	0.8
138.97923	0.9
145.06137	0.6
161.04411	0.4
168.98952	0.6
179.05527	0.6
198.99933	0.6
221.06587	0.9
226.05426	0.3
241.01360	0.5
242.07947	0.3
259.02258	12.0
260.08884	1.1
369.48822	0.4
421.07529	2.4
665.21533	5.4
728.38007	0.3
763.19177	5.2
763.31500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.6
71.01242	0.7
71.69519	0.3
78.93732	0.3
78.95760	29.1
78.97635	0.4
79.95592	1.7
85.02856	0.3
89.02326	1.1
96.93051	0.7
96.95895	100.0
96.96844	47.5
96.98418	1.3
96.99370	0.7
101.02332	0.5
103.28628	0.3
111.36770	0.3
116.05385	0.3
119.03407	0.3
129.91568	0.3
131.04457	0.3
138.97923	0.9
161.04457	0.5
168.99031	0.7
174.23901	0.3
179.05583	0.6
184.81091	0.3
199.00093	0.6
221.06703	0.6
241.01273	0.7
259.02246	9.5
316.26941	0.3
421.07468	2.4
469.88638	0.4
665.21442	3.5
763.19287	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
63.52139	0.2
64.67037	0.2
68.97765	0.2
71.01240	0.7
73.02821	0.3
78.93752	0.4
78.95763	36.6
79.13745	0.2
79.95588	1.8
89.02303	1.2
96.93073	0.8
96.95873	100.0
96.96823	54.4
96.98211	1.3
96.99280	0.9
101.02330	1.3
101.94411	0.2
102.03777	0.3
119.03365	0.5
125.47729	0.3
128.03383	0.4
131.04475	0.4
136.96503	0.3
138.97893	1.1
150.97925	0.5
154.09004	0.3
161.04436	0.6
166.42964	0.3
168.98973	0.7
179.05470	0.7
190.32756	0.2
199.00096	0.6
221.06544	0.5
223.00171	0.4
241.01215	1.2
245.80168	0.3
259.02240	11.5
260.08859	0.3
268.62363	0.3
308.70074	0.3
333.63651	0.3
421.07590	5.4
431.35565	0.3
445.13931	0.3
665.21515	3.0
763.19281	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.1
62.53151	0.4
62.96283	0.4
64.25559	0.4
71.01241	1.1
75.99769	0.4
78.57745	0.4
78.95760	61.6
78.97652	0.8
79.95581	2.2
79.97466	0.4
81.95349	0.4
83.01257	0.5
87.00737	0.5
89.02297	2.1
96.95866	100.0
96.96817	94.9
96.98479	1.6
96.99418	1.6
101.02293	1.6
113.02316	0.8
124.24181	0.5
131.04536	0.5
138.97885	1.3
161.04454	1.1
179.05499	1.3
199.00044	1.1
221.06674	1.6
241.01085	1.3
259.02258	12.4
260.08856	0.9
341.11203	0.5
399.38858	0.5
421.07541	5.6
665.21442	7.6
763.19000	6.3
763.31653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71623	0.8
58.48441	0.9
60.63234	0.9
70.98884	1.0
76.37222	1.0
77.85004	0.9
82.02827	1.3
84.04411	1.1
86.30946	1.0
91.72775	1.0
92.86404	1.0
96.95882	12.8
100.58009	1.2
103.97028	0.9
128.03406	59.5
130.07643	2.0
130.08614	40.0
134.03625	1.9
135.02823	3.2
135.04398	67.5
136.30365	1.0
140.54666	1.0
141.10245	1.5
159.42355	1.5
178.97293	1.3
179.03416	100.0
179.11836	2.5
180.42403	1.0
197.12823	6.4
212.15388	1.3
223.10851	4.3
241.11943	12.0
254.53798	1.2
259.12985	34.7
260.13300	1.3
375.50110	1.3
503.14191	23.8
677.06537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17496	0.3
59.01241	2.8
61.97440	1.7
61.98693	100.0
62.00108	1.2
71.01243	1.2
78.39215	0.4
82.16485	0.4
85.02805	0.5
89.02290	1.1
100.90959	0.4
101.02322	0.9
126.02686	0.7
130.14320	0.5
188.86224	0.5
190.78993	0.5
251.94859	0.5
303.23383	1.8
304.23709	2.4
305.24237	1.5
397.13885	1.2
398.13647	1.0
399.14120	2.2
416.15082	0.6
417.15460	0.8
424.33286	0.5
590.72589	0.5
607.62616	0.5
651.06635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56868	0.7
56.83540	0.8
57.34296	0.8
57.87442	0.7
59.01243	1.5
61.65204	0.8
71.01231	5.1
73.28630	0.8
83.04888	1.7
85.02798	4.2
86.02258	1.1
94.82571	0.8
109.02820	1.6
113.02291	2.0
121.02853	2.9
121.06466	1.4
122.03603	100.0
123.04391	15.8
124.99969	0.9
128.03413	6.1
135.04393	2.9
136.61047	0.9
137.02306	1.7
145.04987	5.2
149.05971	6.1
171.07683	1.7
177.05457	1.8
204.03905	1.1
205.04799	1.8
216.04071	1.1
264.12869	1.3
267.08734	27.9
307.08002	16.7
326.13199	1.2
349.09064	61.0
351.07162	1.1
393.08078	4.4
393.16852	1.8
435.68774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91209	24.3
59.01240	46.9
78.95741	49.3
118.38921	27.2
118.39800	25.0
121.01911	28.2
121.95166	31.9
147.11684	38.3
162.60213	30.2
191.10733	36.2
209.11798	35.6
213.74820	37.5
277.21796	100.0
609.46326	33.3
685.86707	33.3
751.43842	31.0
765.44037	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.2
57.06127	1.0
59.01237	15.6
61.98681	3.6
62.35533	1.3
71.01226	3.9
78.95760	3.7
82.06819	1.2
85.12621	1.3
86.07131	1.3
89.02297	2.8
91.72678	1.7
94.14774	1.5
97.78409	1.2
101.02223	1.9
110.20216	1.3
119.08502	1.8
135.11650	4.7
140.04160	1.3
147.11667	11.6
157.17162	1.2
161.04515	1.5
191.10684	15.0
209.11752	17.2
235.08247	3.8
253.09279	10.6
256.23618	1.3
266.46042	1.3
277.21713	100.0
292.89346	1.5
311.89539	1.4
312.16055	1.6
315.87979	1.8
396.31732	1.8
427.20679	1.7
486.79227	1.6
540.11316	1.7
765.42578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31397	3.3
56.62139	3.6
59.01233	26.2
61.98679	10.4
62.67784	3.6
62.82509	3.3
65.73450	3.4
65.73798	3.9
73.10472	3.9
74.28923	5.4
78.95764	6.5
80.96400	3.6
82.83165	3.7
89.02303	7.5
115.55648	3.7
135.11703	9.0
147.11687	25.5
157.51959	4.7
165.81061	4.9
189.43240	4.3
191.10677	27.7
201.27377	4.6
209.11772	38.8
253.09453	14.9
275.80762	4.5
277.21713	100.0
277.24643	4.9
277.92899	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00969	2.0
59.01244	21.8
61.98697	1.8
85.23681	1.6
99.51066	1.8
103.27017	1.5
106.06609	1.6
113.19693	1.7
205.15974	5.7
233.19101	6.5
254.53680	1.8
277.18100	100.0
286.59909	1.9
314.22861	2.0
341.04047	2.4
348.40546	2.0
691.76642	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10651	0.9
59.01245	20.7
70.96873	0.9
71.01232	9.7
73.02821	6.0
73.48453	0.9
75.91666	0.8
78.01056	0.9
82.75793	0.9
83.01245	1.8
85.02831	2.7
87.00743	1.4
88.53674	0.9
89.02293	6.4
95.01252	0.9
100.85977	0.9
101.02304	9.2
113.02303	4.7
113.09634	1.5
119.03380	1.6
128.03409	1.2
141.09084	7.8
145.57608	1.2
159.10165	19.4
172.18697	0.9
177.38202	1.1
303.14453	11.1
321.15570	39.8
344.19812	4.9
363.16647	100.0
364.16937	2.7
540.35266	1.2
547.70679	1.1
560.79877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36156	0.2
59.01241	5.2
61.02591	0.2
62.56044	0.2
66.42068	0.2
69.74335	0.2
71.01238	4.6
72.99174	0.2
73.02804	1.3
74.61656	0.2
75.00729	1.2
83.01228	0.3
85.02792	1.2
87.00719	0.5
89.01757	0.3
89.02300	6.3
90.72752	0.3
91.73242	0.3
93.03311	0.9
95.01241	0.2
97.02783	0.3
99.00737	0.8
101.02299	4.9
104.24929	0.2
111.00731	0.2
113.02301	2.4
117.01835	0.3
119.01192	1.0
119.03424	2.6
119.04890	100.0
119.08114	1.2
120.05222	0.6
123.85411	0.2
125.02329	1.1
127.16975	0.2
128.10344	0.2
131.03397	0.5
135.02881	3.1
143.03375	0.8
145.02803	0.3
149.04588	0.3
161.04457	0.7
161.05833	0.2
163.03903	50.2
163.09152	0.5
164.04234	0.4
179.05510	3.6
185.04472	0.3
205.05031	0.3
221.06615	5.4
281.06555	0.3
383.11880	0.6
407.12085	0.8
485.15067	0.8
621.18945	0.6
649.19891	16.2
650.20477	0.3
767.22565	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34510	0.5
59.01239	4.8
67.53280	0.6
71.01244	4.6
73.02804	2.4
75.00738	1.6
85.02799	1.3
88.32127	0.6
89.02308	4.9
90.61601	0.7
91.74220	0.7
97.02857	0.7
101.02316	3.7
102.75250	0.6
113.02316	2.0
119.04891	100.0
119.08158	1.6
122.03611	3.2
123.04417	1.4
125.02296	0.9
127.55388	0.8
135.02844	2.7
161.04454	1.8
163.03908	53.0
179.05568	1.3
196.15930	0.8
221.06636	3.2
275.43588	0.7
300.64624	0.8
317.30820	0.8
327.87964	0.7
349.09061	1.6
383.11755	0.9
454.34546	1.0
621.18726	2.5
649.19989	25.8
767.22516	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80701	18.7
55.76757	20.9
59.01231	24.9
61.98680	100.0
63.80473	18.3
78.95755	63.4
81.75391	20.8
129.46573	28.3
135.10785	29.4
152.99406	29.1
239.02200	24.9
767.42303	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74058	19.4
59.01236	61.5
60.48512	19.5
61.98685	100.0
68.42054	22.4
70.77087	18.6
78.95764	63.6
80.96395	22.0
86.57449	22.2
90.45490	18.8
101.45718	23.7
101.72968	25.2
106.91425	22.6
113.31179	22.0
133.89436	26.7
149.40179	22.9
152.99481	32.4
168.62769	23.4
176.02245	24.3
228.18764	31.5
255.23277	39.2
279.23447	33.0
303.23230	34.9
309.29926	23.8
449.51184	29.8
767.42590	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22474	0.3
57.23470	0.3
58.51493	0.3
59.01244	9.3
60.09605	0.5
61.98697	0.6
71.01244	1.6
71.34181	0.3
72.35899	0.4
73.02806	0.5
74.53543	0.3
74.79707	0.4
78.95750	0.5
80.96337	0.4
81.28433	0.3
84.72942	0.3
85.02800	0.6
89.02305	1.3
91.08393	0.3
93.06978	0.8
101.02287	2.1
113.02314	0.8
119.03368	0.4
119.08527	1.0
135.11658	2.8
146.35237	0.5
147.11687	8.5
152.99472	0.5
161.04440	1.2
173.09563	0.6
179.05557	0.4
179.10687	1.3
191.10696	12.1
209.11778	15.4
235.08179	3.4
253.09277	9.0
279.23306	100.0
280.23557	1.9
427.19833	0.6
501.13046	0.4
515.32111	0.8
712.35553	0.4
767.43176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	18.6
60.09591	0.7
61.98675	3.1
68.05509	0.7
68.69066	0.6
71.01220	3.3
72.76757	0.7
78.95737	2.2
80.79285	0.7
85.02814	0.9
88.02408	0.9
89.02273	2.4
93.06957	1.9
101.02283	3.5
107.59090	0.8
113.02286	1.1
119.03362	1.3
119.08503	2.0
135.11656	5.3
147.11678	24.0
161.04471	1.5
173.09683	1.0
179.10677	3.1
181.12300	0.9
191.10689	29.2
192.11169	1.0
209.11772	33.6
210.12247	1.0
235.08212	2.1
253.09267	17.3
255.23311	1.1
279.23288	100.0
280.23648	2.6
314.76831	0.9
395.97607	1.0
427.19580	1.9
524.67761	1.0
767.42017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.6
60.99171	11.9
67.87663	0.5
71.46020	0.5
72.62148	0.6
80.11508	0.5
83.04890	1.0
87.00730	4.9
88.00258	5.3
88.03889	1.1
88.95005	0.7
88.98659	100.0
89.02296	50.7
89.80165	0.5
116.12200	0.6
124.52364	0.6
134.61557	0.5
167.28873	0.7
225.16154	0.9
247.72728	0.7
262.41199	0.6
339.36124	0.5
351.79660	0.6
677.49451	3.7
678.50464	1.3
707.46173	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09440	1.0
59.01245	3.8
73.84203	0.9
82.02843	7.1
84.04396	6.8
84.68711	1.1
86.02334	4.3
96.95856	1.6
100.31458	1.3
108.89411	1.2
109.07570	3.1
111.62441	1.0
119.04873	1.4
120.01116	7.4
127.05007	3.4
127.08667	6.5
127.99725	1.8
128.03409	100.0
128.07451	1.3
128.27885	1.2
135.04445	1.5
137.58513	1.0
153.06596	12.6
171.07678	20.2
195.07729	2.1
197.05597	1.1
231.04419	8.3
249.05449	8.4
264.10052	2.5
282.10950	3.6
344.11029	11.0
360.08801	7.1
378.09821	33.3
466.17349	2.3
568.01910	1.5
595.21838	2.6
706.25055	1.9
724.26080	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38865	0.6
57.61757	0.6
59.01267	1.0
61.97471	2.0
61.98693	100.0
62.00072	1.5
64.00328	0.6
71.38291	0.6
78.95761	0.6
84.35593	0.6
89.34549	0.7
91.73393	1.4
100.41228	0.7
150.52525	0.8
160.03044	0.7
209.11905	1.2
210.12242	1.4
277.21710	3.9
278.22198	2.8
279.22342	1.6
294.50427	0.8
347.81116	0.8
543.62048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00105	1.0
59.01244	59.1
59.02504	1.2
66.83641	1.0
71.01237	21.9
73.02805	48.8
75.00710	1.0
75.42280	1.1
75.68996	1.0
81.35110	1.2
83.01240	9.9
85.00839	1.5
85.02805	100.0
87.00710	1.7
87.81364	1.2
89.02301	7.3
96.95831	1.8
97.02812	1.4
101.02307	43.3
103.03879	15.1
113.02306	11.6
119.03380	4.1
121.91416	1.2
125.02311	1.8
128.03418	7.2
131.03397	4.8
142.00055	1.2
143.03381	4.7
149.04442	9.7
150.05505	2.0
150.86948	1.3
155.03395	2.3
161.04463	18.2
171.06546	12.7
177.62166	1.3
195.11246	1.4
203.08226	2.0
221.06686	13.0
307.06793	2.5
307.10361	46.4
332.12726	2.3
393.14069	34.5
394.14124	1.8
440.60178	1.3
463.05569	1.4
471.36075	1.4
593.87048	1.4
756.79041	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	3.6
61.98695	100.0
63.44783	1.2
66.66382	1.4
70.22744	1.2
70.98997	1.3
71.46484	1.2
78.95760	1.7
164.22787	1.5
183.10110	2.0
196.61086	1.5
279.23328	3.4
280.23734	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
68.95444	0.4
71.16090	0.5
86.58792	0.4
93.03313	51.4
109.02806	1.1
123.04361	1.5
135.24976	0.6
137.02319	100.0
137.05904	3.8
151.03893	3.0
157.15103	0.5
179.03395	2.4
182.81929	0.6
221.56644	0.7
267.29593	0.5
269.60388	0.6
341.08609	1.2
424.44635	0.5
755.61987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.8
68.06107	0.2
71.01225	0.3
81.03312	0.2
83.33839	0.2
93.03306	0.5
96.95883	0.5
101.02299	0.2
106.04107	2.3
107.04910	0.5
108.02023	0.3
119.04884	3.2
135.04341	0.3
137.01808	1.2
137.05960	100.0
138.06308	1.0
341.12448	2.8
383.45480	0.2
423.25244	0.3
758.23804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55997	0.6
59.01222	0.8
61.49716	0.6
61.98707	1.2
78.95749	2.5
79.95590	1.8
94.92373	1.2
96.92070	2.3
96.93193	1.1
96.95869	100.0
96.96866	2.9
96.98292	2.2
110.33129	0.7
164.07799	0.7
170.62918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33111	0.9
64.96098	0.8
74.39468	0.8
82.02841	2.1
84.04406	2.7
93.75510	0.8
102.05474	0.9
108.46819	0.9
112.03932	1.4
127.04995	2.8
128.03406	100.0
128.07330	1.3
130.08604	13.2
130.74187	1.1
135.04416	1.3
163.80325	1.0
169.09647	0.9
195.07780	1.6
197.12892	4.1
221.05606	1.4
239.06749	3.7
241.11978	6.7
313.64218	1.1
319.51758	1.2
344.79303	1.0
345.48419	1.1
370.16339	1.6
388.17209	2.6
415.09259	1.1
498.25223	1.1
499.38779	1.3
517.21503	3.9
628.24567	1.7
646.26007	4.5
757.29102	3.8
775.16400	1.8
775.30078	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30636	1.0
75.19588	1.4
78.95763	2.8
79.95583	2.3
94.92374	2.2
96.92079	2.7
96.93093	1.5
96.95869	100.0
96.96859	3.7
151.11452	1.6
171.82112	1.4
181.83507	1.5
185.21797	1.2
231.54826	1.4
239.49390	1.6
271.19669	1.4
275.18411	1.4
277.49683	1.5
289.20776	1.7
297.14453	2.1
484.44833	1.7
647.46356	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65536	0.7
63.28885	0.8
66.30856	0.9
67.80645	0.8
68.15701	0.8
78.28370	0.8
78.95756	19.3
78.98987	1.1
83.01298	0.9
83.04848	1.5
103.05879	1.2
107.81779	0.9
137.09514	1.0
138.59174	0.9
139.11191	1.5
143.04131	0.9
152.99483	19.5
153.71477	1.1
164.38663	1.1
165.12729	1.9
169.63596	1.0
171.00571	2.8
181.12360	1.8
207.09538	0.9
209.11732	7.9
234.03954	1.0
247.20660	2.5
255.23294	100.0
256.23669	2.6
291.19678	8.9
291.36972	1.0
309.20709	9.9
434.55829	1.2
445.19785	4.9
457.47720	1.0
519.23492	2.0
537.24585	1.1
740.72968	1.2
775.47705	65.4
776.48230	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19966	0.9
61.99556	0.9
75.17308	1.0
78.95761	20.3
78.97128	1.3
96.96807	3.4
105.07788	1.1
112.57574	1.1
152.99467	19.2
171.00557	3.8
197.11726	3.4
209.11803	1.8
228.34259	1.4
236.71635	1.3
247.20648	1.8
255.12239	1.3
255.23289	100.0
256.23700	2.8
291.19608	7.5
309.20773	8.0
316.38400	1.4
445.19882	5.3
519.23724	4.7
775.47742	65.4
776.47107	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.1
62.96275	0.7
78.94064	1.4
78.95757	100.0
78.97713	1.5
81.00342	0.2
82.85215	0.3
87.21000	0.2
90.32371	0.2
96.95876	0.6
96.96815	13.6
111.01860	10.4
120.96810	0.4
136.96347	0.3
137.99506	0.7
138.97879	0.6
146.98413	0.7
150.97939	0.7
158.92430	53.6
170.22360	0.7
174.97943	3.9
176.93498	9.4
187.13310	1.1
192.99040	0.5
211.00052	0.6
227.03558	1.0
240.02792	0.4
246.01686	1.7
255.02850	1.3
256.03473	0.5
263.76059	0.3
264.02826	3.2
272.95712	16.5
282.03848	6.0
284.03290	1.6
285.03809	1.0
286.04370	0.3
289.36136	0.3
305.01813	2.2
323.02899	2.1
343.99387	3.3
384.98465	20.1
386.36880	0.3
402.99454	3.5
452.16943	2.5
470.17844	1.7
532.13635	3.2
588.06256	0.8
628.58362	0.3
678.22638	0.4
740.19452	0.8
776.20538	41.0
777.20325	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73233	0.5
57.02948	0.5
61.98705	0.5
70.53533	0.5
75.96658	0.5
78.93894	0.5
78.95757	19.6
89.00541	0.5
96.96824	1.9
99.08002	0.8
103.15547	1.0
103.16245	1.1
113.09543	0.6
129.09035	0.8
152.99472	23.8
162.07892	0.7
169.12193	0.7
171.00571	4.0
171.10164	1.0
181.12239	1.0
197.11758	2.3
199.13301	0.7
211.13379	3.6
226.63773	0.7
227.03160	0.9
255.23291	100.0
256.23602	4.2
257.23801	0.9
293.21243	7.5
311.22308	15.1
375.48740	0.6
378.93628	0.7
447.21594	4.7
521.24969	3.8
539.26416	1.8
777.49255	68.7
778.49701	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4928
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95760	17.5
78.96458	0.7
96.88703	0.5
96.96840	1.3
129.09081	1.3
139.65346	0.6
152.99484	21.2
169.12285	0.9
171.00500	3.5
181.12207	1.3
190.20079	0.6
193.12215	0.8
197.11655	3.0
199.13351	1.1
199.43631	0.6
203.95952	0.6
211.13351	3.9
227.03194	0.9
255.23296	100.0
256.23557	2.9
293.21265	3.4
311.22302	14.5
315.91409	0.6
319.85434	0.6
447.21600	3.5
521.25165	2.1
539.26385	1.4
568.78186	0.7
777.49255	60.2
778.49646	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41562	0.5
78.95759	20.8
82.92853	0.7
96.96821	1.5
98.13828	0.5
103.16243	1.2
113.09535	0.9
113.10760	0.6
125.32951	0.7
152.99467	23.8
159.69817	0.6
171.00505	4.1
171.10114	1.3
176.26112	0.6
181.12318	0.7
197.11751	2.1
211.13380	3.2
219.24458	0.7
227.03232	1.0
255.23288	100.0
256.23669	5.4
257.23999	1.0
293.21179	7.9
307.20438	0.7
311.22318	12.5
372.32330	0.8
447.21616	3.3
520.23846	0.8
521.25055	3.3
527.20325	0.7
539.26178	1.8
577.49841	0.8
776.48309	1.7
777.49200	71.6
778.49207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53557	0.2
58.39805	0.3
59.01245	0.4
61.40573	0.2
65.86014	0.2
78.93988	0.6
78.95761	34.5
78.97744	0.4
89.02262	0.3
96.94321	1.4
96.95937	4.1
96.96821	100.0
96.99586	1.0
102.50322	0.3
110.19935	0.3
115.04749	0.3
121.92342	0.4
310.52994	0.4
341.10864	1.6
345.11646	0.5
439.08603	25.4
440.08682	0.4
533.14594	0.3
639.00024	0.3
758.74158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	23.6
61.98674	17.1
63.65905	8.5
65.11114	7.9
71.93301	8.8
78.95760	11.4
79.95605	14.1
80.96378	77.5
85.02791	15.2
91.45705	8.3
91.73379	9.0
94.97955	18.9
103.26984	8.6
121.35369	11.0
124.35616	10.0
153.92534	10.7
163.47580	9.4
164.98537	23.8
225.00751	27.2
255.23050	13.3
279.23389	14.4
303.23141	14.9
346.77560	11.0
756.59521	13.5
781.40271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36665	2.8
54.97284	2.8
58.06882	3.0
58.89118	2.7
59.01242	15.7
60.35189	2.9
61.98687	14.4
66.43568	3.5
67.54280	3.3
69.03310	6.7
71.01226	6.5
72.40393	3.0
78.95757	11.2
78.98455	5.0
79.10149	3.0
79.95602	9.6
80.96363	36.4
81.03784	3.3
94.97945	10.1
95.04876	3.8
96.71027	3.7
101.02285	6.2
121.06437	4.0
159.82550	3.8
161.09644	14.0
164.21817	4.3
164.98557	11.2
171.10199	5.3
205.08665	16.6
223.09723	7.3
225.00719	18.8
253.09262	15.7
279.23294	100.0
291.16562	4.5
291.19632	5.5
355.82248	4.3
409.24408	4.2
420.46289	4.5
602.63159	4.7
659.87164	5.3
781.40509	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49662	23.3
61.98676	27.0
78.95772	35.9
85.50886	28.1
111.07323	31.3
119.39796	35.6
152.99594	63.2
154.85181	33.9
231.30077	34.4
255.23372	100.0
662.92041	52.3
720.64886	41.0
800.83203	41.2
807.69110	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.6
57.03321	0.6
59.00077	1.9
59.01242	100.0
59.02559	0.9
59.87082	0.3
62.13559	0.3
62.98997	0.3
63.58104	0.4
71.01237	7.7
73.02810	3.1
83.01258	1.3
85.02807	4.8
89.02322	1.1
95.01242	0.5
97.02863	0.4
99.00751	1.2
101.02299	7.1
105.43271	0.4
113.02306	3.9
119.03355	0.5
143.10684	0.6
159.02930	1.2
161.04440	3.7
170.84837	0.5
213.12560	0.4
255.22404	0.4
287.15073	2.2
290.83255	0.4
305.16046	10.1
347.17111	16.5
387.97089	0.5
546.00830	0.4
700.47955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38862	64.2
60.80429	81.4
67.06342	70.0
70.40972	64.4
70.63728	63.0
90.71017	73.7
112.53538	78.5
306.77686	82.8
397.48944	100.0
651.21246	97.2
715.17365	97.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37286	1.1
59.01237	4.4
71.01222	3.3
72.75899	1.2
78.95759	100.0
85.02808	6.1
89.02280	6.7
93.79821	1.6
96.96819	72.8
99.05459	1.4
101.02267	2.4
107.37179	1.3
119.03371	2.7
134.04597	7.2
135.04424	1.9
150.97853	2.7
157.20163	1.5
158.92413	10.8
159.34125	1.3
162.97922	2.5
164.27750	1.3
179.03566	1.6
179.05478	3.5
180.98984	13.6
184.96483	1.3
195.00563	2.8
210.99919	1.5
241.07332	3.8
255.08862	4.5
265.09323	3.1
272.95654	2.6
291.03607	1.6
318.28391	1.8
346.05597	21.5
351.12881	2.6
387.35126	1.6
408.00955	2.8
424.62909	1.5
437.08694	35.2
784.14679	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.0
61.98695	2.2
67.85126	1.0
75.79182	1.0
77.45147	1.1
79.88536	1.2
108.94650	1.2
117.93346	1.0
120.02060	1.5
120.99355	1.4
121.02818	100.0
165.01843	3.4
181.06438	1.8
191.03351	1.9
209.04494	58.9
225.05525	2.3
239.06841	1.2
268.71942	1.4
268.75134	1.5
273.27896	1.3
279.13626	1.2
313.07309	3.7
319.17773	1.4
401.08731	7.8
579.76031	1.5
659.54608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.2
57.03319	0.3
58.99983	1.8
59.01243	100.0
59.02333	1.4
59.49162	0.2
59.58074	0.2
59.83339	0.2
60.01574	0.3
71.01241	5.5
71.87746	0.2
73.02803	3.1
75.00745	0.3
83.01237	1.6
85.02805	3.7
87.00748	0.4
89.02326	0.7
91.72728	0.3
95.01271	0.4
95.64892	0.2
97.66211	0.2
99.00751	1.0
101.02303	7.2
101.02956	0.4
111.00768	0.4
113.02302	3.0
119.18819	0.2
125.02328	0.3
128.03424	0.3
143.03389	0.4
145.12303	0.2
146.29594	0.2
159.02937	0.8
161.04448	2.8
184.96461	0.2
277.48477	0.2
289.16666	1.4
307.17657	8.3
316.13739	0.2
344.19968	0.2
349.18707	16.3
350.19000	0.3
380.32590	0.2
429.17255	0.3
480.62073	0.2
561.28094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.1
57.03317	0.4
58.00483	0.2
59.00130	1.6
59.01240	100.0
59.02521	1.6
60.01577	0.4
64.43298	0.1
69.03283	0.2
71.01237	6.1
72.99154	0.3
73.02805	3.2
75.00719	0.3
81.58784	0.2
83.01236	1.6
85.02801	3.7
87.00734	0.3
89.02301	0.9
95.01253	0.5
97.02798	0.3
99.00734	1.5
101.02299	8.1
111.00738	0.4
113.02296	3.3
125.02340	0.2
129.01840	0.4
143.03439	0.5
145.12241	0.5
159.02950	0.6
159.58521	0.2
161.04451	2.9
165.97481	0.1
289.16541	1.4
307.17630	8.6
308.18228	0.2
344.20056	0.2
349.18683	15.7
350.19345	0.4
472.12744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	2.3
73.95239	1.6
75.59088	1.8
78.95757	32.5
92.44469	1.6
93.97740	1.6
108.51170	1.8
121.02830	2.2
122.98383	22.5
125.03506	1.9
152.99455	6.2
167.14310	9.8
168.04199	4.4
177.55257	2.0
189.54369	1.9
191.29504	1.7
193.15900	6.6
207.17490	7.7
224.06898	3.4
249.18567	30.3
254.10611	2.2
255.23279	98.5
256.23648	2.7
267.19711	7.6
275.16541	26.8
275.87906	2.1
279.23730	2.2
281.21152	9.0
293.17599	100.0
307.19205	8.4
325.20227	18.2
391.22412	3.2
480.31128	4.4
537.76355	2.4
603.65155	2.2
633.51556	2.8
658.28613	2.5
729.43890	11.8
756.48456	3.1
788.50793	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
63.28150	3.9
67.24389	3.7
71.01237	24.9
73.02807	7.4
73.39886	3.7
78.71239	3.2
81.91909	3.6
83.01298	3.5
84.72813	3.8
85.02821	9.1
87.00739	4.6
89.02315	9.6
96.95869	7.8
101.02308	14.1
113.02315	17.9
119.03355	4.5
124.01532	4.2
125.02319	15.4
143.03400	4.7
161.04486	4.5
293.38071	5.1
297.96906	4.3
307.60352	4.1
376.70334	4.4
387.09369	4.5
392.58264	5.3
395.18320	4.3
414.88110	4.7
435.41373	4.7
581.29749	27.0
599.30762	57.6
617.31531	26.1
641.31854	14.6
659.32831	28.5
756.61957	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	22.3
69.03306	1.8
70.97121	1.4
71.01217	1.9
79.62441	1.3
80.01760	1.5
89.02315	2.0
92.92554	1.7
101.02320	2.5
135.11644	2.2
147.11684	10.0
157.63324	2.0
179.10704	1.8
191.10670	13.4
203.17987	2.7
205.98833	1.7
209.11794	26.4
253.09314	13.0
257.22778	7.5
301.21735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81932	2.5
59.01236	14.9
65.99683	3.2
68.99677	2.5
78.17878	2.5
84.00743	2.5
94.29115	2.8
99.00746	8.7
109.01563	3.7
110.02345	5.3
111.03123	8.2
112.00265	7.3
114.01766	2.6
120.04414	4.5
124.00276	33.2
128.03423	3.9
136.07620	5.4
145.07596	4.6
148.03941	29.4
150.05464	4.9
159.09216	6.1
159.67513	2.8
160.03909	14.6
160.06337	4.1
161.04720	77.4
161.06848	3.2
162.05499	4.3
173.03218	30.6
174.04213	9.4
174.05582	2.7
175.05034	41.5
175.06383	4.8
175.08632	19.1
176.05814	7.4
184.02449	4.0
188.05884	7.8
190.07472	3.6
200.07112	3.7
202.08720	11.3
203.04544	19.3
203.08206	32.6
207.97314	2.9
229.07495	3.0
231.07693	53.6
232.08481	9.2
233.09233	36.2
242.08090	6.4
244.09810	57.7
244.11954	2.0
245.09593	3.6
261.08716	12.5
263.10419	20.8
285.08804	4.4
288.09015	3.1
292.10736	11.2
293.11670	3.7
299.14288	3.5
321.10947	100.0
322.11603	5.2
323.12476	68.2
324.09686	17.4
344.19443	4.2
375.11951	15.5
396.15692	7.7
466.16147	4.8
468.17578	16.6
627.23145	50.5
650.35492	3.3
663.47998	3.4
772.27161	3.5
790.29407	85.5
791.29694	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	8.7
68.99683	3.6
79.39946	4.4
99.00803	5.0
110.02409	4.8
111.03156	4.4
112.00272	5.2
120.04455	4.7
124.00258	39.3
128.03438	7.6
134.94221	4.3
138.01939	3.7
148.03954	21.3
150.05560	4.4
153.88251	4.1
159.11243	3.8
160.03996	14.5
160.06461	4.5
161.04716	62.7
161.05792	4.8
173.03268	22.8
174.04211	5.3
175.05029	35.8
175.08730	15.8
176.05878	4.9
188.05974	5.3
190.07411	5.9
200.07297	4.2
202.08746	7.8
203.04663	18.5
203.08179	21.5
231.07721	45.7
232.08492	8.7
233.09244	34.7
244.09778	56.2
245.09372	4.7
261.08994	11.7
263.10461	20.1
280.64169	4.1
292.10782	5.9
293.11664	6.2
321.10931	100.0
322.11691	5.7
323.12521	55.3
324.09769	12.1
336.55853	4.8
338.11664	7.4
375.12061	15.3
396.15652	8.6
466.16238	5.8
468.17703	15.5
627.23291	47.4
741.85748	5.4
790.29449	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96977	4.6
59.01241	9.7
59.35157	4.7
61.20652	6.1
73.87161	4.9
81.80891	6.5
93.62153	6.1
99.00755	6.6
111.03145	10.1
112.00291	7.8
119.30724	5.5
124.00295	43.3
143.10605	5.4
145.07562	10.5
148.03912	28.9
160.03897	16.9
160.06216	9.3
161.04744	72.1
173.03233	29.8
175.04993	39.7
175.08699	19.3
176.05832	7.8
184.02481	6.6
189.06718	7.1
190.07356	7.9
202.08618	9.3
203.04501	18.2
203.08182	24.7
231.07793	54.9
232.08463	17.7
233.09323	36.9
241.09741	7.6
244.09860	58.5
252.58270	6.9
263.10495	11.4
292.10693	15.1
321.10931	100.0
322.11743	6.6
323.12463	62.6
324.09573	17.7
375.11978	18.4
396.15649	12.3
466.15927	9.5
468.17804	9.2
627.23315	45.5
759.37170	6.7
772.28229	7.6
790.29456	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	20.6
63.10851	0.4
65.88337	0.4
70.56417	0.4
71.35711	0.5
79.46309	0.5
85.00751	1.3
85.02804	89.9
102.39844	0.5
103.01159	1.2
103.03867	100.0
110.71960	0.5
113.88825	0.5
114.32119	0.5
118.77256	0.4
122.20152	0.5
123.13714	0.4
123.38512	0.5
127.43997	0.7
127.83191	0.5
130.99800	0.6
138.50136	0.6
138.83826	0.5
171.06537	23.1
189.07574	3.3
257.10263	0.5
369.55710	0.5
423.67703	0.6
532.82758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	23.2
61.79742	1.2
67.21419	1.4
69.03300	1.9
71.01242	2.6
77.28325	1.3
78.95758	4.5
88.73433	1.7
89.02288	2.9
91.72696	2.3
93.20763	1.7
100.10394	1.5
101.02324	3.4
113.02274	2.2
116.40086	1.4
119.08538	3.4
135.11684	5.2
135.71855	1.6
147.11664	23.0
179.10733	4.3
191.10689	33.7
209.11765	39.7
209.13602	2.8
253.09317	17.4
255.23328	6.1
259.24319	4.3
278.98093	1.7
289.57565	1.6
303.23294	100.0
304.23621	3.1
526.47925	2.3
664.04150	2.1
791.15558	2.0
791.46124	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	16.7
61.98687	1.0
70.11589	0.5
71.01240	2.0
73.02779	0.9
78.95734	1.5
80.96382	0.8
82.00697	0.6
83.04891	0.6
85.02818	0.7
87.00719	0.6
89.02285	2.6
93.06954	1.2
101.02274	1.9
113.02314	0.9
119.08486	1.4
135.11691	3.0
147.11674	10.4
152.99480	1.4
161.04427	1.0
161.28354	0.6
173.09586	0.9
179.10678	2.7
188.94685	0.8
191.10699	15.5
201.71274	0.6
205.19540	0.9
205.95438	0.7
209.11774	19.9
235.08206	1.8
253.09265	12.5
255.23256	4.1
259.24280	2.8
303.23294	100.0
304.23578	1.9
379.98923	0.7
539.32391	0.8
791.46869	3.0
817.13000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.0
59.55069	0.8
61.98701	1.2
69.03294	0.9
73.02810	8.3
79.57344	0.9
99.00755	2.1
99.01659	0.8
99.92425	5.8
116.92723	100.0
116.97115	63.2
117.01803	18.1
117.92677	1.0
124.61508	1.0
131.62952	1.0
199.33401	1.0
335.17615	5.2
386.27603	1.1
756.70782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.9
59.96832	1.5
61.98693	100.0
63.88319	1.6
65.94328	1.4
68.61136	1.6
69.77020	1.6
78.95769	3.4
105.45535	1.7
116.92765	2.2
124.77145	2.1
128.05974	1.8
132.65668	1.8
136.79555	1.8
152.99495	3.9
157.00101	1.9
175.57231	2.2
255.23386	7.4
261.22818	2.3
283.11850	2.0
377.09854	2.7
385.90060	2.2
470.20602	2.3
532.23608	2.1
570.51971	2.1
654.55060	2.3
757.35748	2.7
794.49048	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.8
61.97451	1.6
61.98693	100.0
62.50135	0.8
66.74055	0.9
75.22979	1.0
75.62327	0.8
78.95774	2.9
88.07873	0.9
90.91844	0.8
119.39384	0.9
121.99802	1.0
152.99503	2.0
159.47365	1.1
202.14496	1.0
225.20427	1.0
248.53239	1.0
255.23335	5.1
256.23718	1.3
303.23325	2.5
304.23660	2.7
305.24069	1.3
793.48529	1.2
794.49017	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50797	1.3
59.01255	2.6
61.98702	3.1
63.69800	1.3
78.95757	42.4
78.96201	2.5
91.72778	1.7
97.87805	1.2
99.54079	1.5
122.00020	2.9
122.03589	1.9
131.46320	1.4
140.01068	16.2
152.99417	9.1
167.14362	4.9
193.15939	2.2
195.80048	1.6
196.03751	10.2
201.84302	1.6
223.20657	2.2
231.17747	1.8
249.18611	11.1
267.19659	100.0
268.20123	2.3
275.16449	14.6
276.57065	1.8
293.17581	53.2
303.23306	9.9
311.18661	45.1
389.92191	2.0
447.18280	3.3
490.22003	11.4
500.28094	5.0
508.23578	3.0
778.54169	1.9
794.46240	89.7
795.46637	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39973	1.0
58.98469	0.9
59.00972	1.5
59.01242	16.4
63.60672	1.1
65.99693	1.3
66.01599	1.0
67.84537	1.0
71.01237	7.0
75.11807	1.0
82.02837	6.4
83.46872	1.0
85.02774	1.9
89.02304	7.4
94.02855	1.4
101.02304	4.9
108.04404	2.6
112.03920	3.0
113.02290	2.5
119.03369	4.1
120.04420	4.6
122.05989	2.0
134.06020	1.5
135.03159	1.9
136.07550	3.3
138.05435	2.0
139.56041	1.2
141.66872	1.2
146.02368	1.5
146.06026	1.5
147.03110	2.4
148.03934	32.2
149.04703	12.2
150.05492	40.3
154.04951	3.7
160.03911	3.2
161.04727	13.0
161.07069	3.4
162.05515	4.5
163.02731	1.6
164.03377	7.5
173.03473	27.0
173.04886	2.4
174.01929	1.7
174.04250	30.2
174.05554	2.6
175.05028	17.2
175.06326	6.7
176.05789	2.1
186.05513	3.0
187.06297	4.4
188.07050	3.1
189.06602	24.8
189.10251	1.6
190.04909	2.7
190.07391	32.4
190.09059	1.8
191.08228	5.1
200.07111	4.0
201.07875	5.1
202.07359	5.0
202.08740	4.4
203.05911	2.8
203.08154	2.1
213.06726	2.2
213.10275	3.8
214.10924	2.6
215.08229	11.7
215.11815	8.0
216.06631	3.6
217.07530	3.2
217.09785	7.4
224.07182	1.3
228.06540	3.2
231.07722	27.1
232.08492	35.7
233.09270	12.6
241.09795	28.8
242.08150	5.7
242.10449	2.5
243.07596	7.7
244.08600	12.4
245.09222	9.6
259.10919	3.9
261.08856	2.8
262.09576	3.3
267.07864	4.6
268.08578	2.6
271.08557	2.0
285.08813	10.2
286.06985	1.7
286.09714	7.6
287.10342	2.6
289.09415	1.9
303.09854	9.0
304.10602	3.4
337.10864	2.3
449.15994	2.1
466.16354	2.5
467.16946	3.9
470.18027	1.4
477.18811	10.6
502.17862	4.3
527.47321	1.4
560.22394	15.5
571.23364	2.2
572.22577	5.5
590.23834	2.8
596.22595	4.6
614.23669	18.3
615.22211	4.8
632.24646	100.0
633.24982	3.0
723.28711	4.1
777.29816	9.9
795.31036	78.7
796.31305	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00999	1.8
59.01244	14.8
62.61244	1.1
71.01229	7.3
82.02833	6.7
85.02776	1.5
89.02293	10.1
101.02283	7.5
108.04417	2.0
110.45605	1.4
112.03972	2.4
113.02301	3.8
119.03394	4.7
120.04439	5.0
124.03899	1.9
136.07559	2.7
142.73053	1.4
145.04012	1.4
146.02249	1.8
147.03107	2.1
148.03917	29.4
149.04749	10.3
150.05502	37.2
154.04977	2.6
160.03928	3.7
161.04730	14.2
161.07176	2.8
162.05486	5.3
163.02628	1.7
164.03470	5.8
172.07536	1.8
173.03467	19.4
173.04749	2.8
174.01892	2.4
174.04239	25.6
174.05559	3.0
175.05013	13.4
175.06346	7.3
186.05664	2.1
187.06296	4.9
188.07202	3.2
189.06631	25.1
190.07375	34.4
191.08173	5.4
200.07094	4.9
201.07922	3.4
202.07339	4.8
202.08765	5.0
203.05965	2.4
213.10301	6.0
214.11124	6.4
215.08238	13.7
215.11794	17.3
216.06674	4.3
217.07407	4.6
217.09856	7.6
228.06595	3.2
231.07698	22.3
232.08522	38.4
233.09253	13.1
239.08131	1.7
241.09816	54.7
242.08235	5.9
242.10486	3.2
243.07709	7.3
244.08594	7.6
244.09570	5.4
245.09352	7.3
259.10959	7.8
262.09412	2.8
267.07825	3.8
268.08658	2.8
285.08792	11.1
286.09769	12.3
289.09549	3.6
303.09891	16.5
304.10706	2.6
313.02591	1.7
448.15558	1.8
466.16370	4.5
467.16644	2.5
477.18829	7.6
491.85684	2.1
502.18213	4.5
560.22382	13.6
571.23035	3.2
572.22662	4.0
590.23633	2.7
596.22491	3.0
614.23633	21.9
615.22095	6.2
632.24695	100.0
633.25079	4.0
658.21594	1.9
723.29999	3.7
777.30115	8.7
795.31067	73.5
796.32025	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60697	3.5
67.21856	3.2
73.02789	8.8
79.05405	3.6
80.63238	3.7
85.21367	3.9
92.92650	18.7
101.61036	3.6
115.31979	3.5
116.92719	100.0
116.93515	7.4
116.97109	90.0
116.97935	5.0
117.01793	20.2
118.74194	3.4
137.10545	3.9
234.92177	4.1
239.62241	4.5
322.52765	4.6
337.19244	8.2
517.49402	4.4
602.77063	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93839	0.6
58.99897	1.4
59.01243	100.0
59.02420	1.6
59.60752	0.5
61.98702	0.9
65.90205	0.6
71.01244	2.7
72.92152	0.6
81.78532	0.7
87.00764	0.7
89.02315	2.4
92.78413	0.7
97.02817	1.0
101.02322	2.4
113.02359	1.5
119.03387	1.3
119.75211	0.6
122.83784	0.7
125.02316	1.3
141.01582	68.2
187.09677	0.9
235.08318	0.9
243.04962	0.8
255.23293	7.4
337.23630	4.4
397.13559	13.0
415.14896	2.7
419.11926	2.0
437.12799	3.7
473.29541	1.8
537.67926	0.7
653.38385	2.2
655.82635	0.9
675.35199	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81890	0.2
59.00094	0.3
59.01241	13.5
59.02529	0.2
71.00890	0.1
71.01237	4.8
73.02804	6.4
83.01244	2.0
85.02806	1.3
89.02293	3.9
93.03311	0.3
95.01265	0.5
99.00719	0.2
101.02308	6.5
103.94201	0.2
112.20676	0.2
113.02320	3.8
117.03329	0.4
119.01524	1.3
119.04891	95.1
119.08658	0.9
120.05191	1.2
125.02310	0.3
131.03360	0.7
137.05959	0.6
143.03378	0.7
147.04381	0.2
149.04445	0.6
161.04427	1.9
162.98540	1.2
163.03905	100.0
164.04192	1.3
176.04538	0.2
181.39569	0.2
186.27942	0.2
205.05014	2.0
221.06575	0.4
247.06152	0.3
281.10330	8.5
282.10760	0.3
299.11349	2.6
341.12427	12.1
342.12735	0.4
367.10349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.79711	0.3
61.74532	0.2
77.03804	0.2
81.03349	0.4
83.04874	1.2
101.81259	0.2
118.92585	0.3
121.02818	100.0
121.06255	1.4
122.03124	0.5
125.07124	0.2
225.16161	1.4
244.38313	0.2
253.97958	0.2
324.26413	0.3
363.08633	0.3
367.27097	0.3
451.33081	0.9
574.60944	0.3
677.49768	23.0
678.50153	0.6
706.22614	0.3
799.53461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23263	0.2
59.01243	1.9
71.01228	0.5
83.51994	0.3
90.85422	0.3
91.73369	0.7
93.02750	0.6
93.03313	7.7
93.42157	0.3
95.01235	0.4
106.26730	0.3
108.02032	0.4
109.02805	0.8
109.87604	0.3
111.00798	0.4
122.03596	3.5
123.00745	0.4
123.04385	10.7
124.01530	21.7
128.03436	0.4
133.57854	0.3
137.02322	15.0
137.05881	0.4
139.00270	2.0
139.03885	8.8
146.24544	0.4
154.02617	1.9
168.00543	37.7
169.04959	2.4
183.02905	100.0
183.09692	1.0
184.03244	0.5
200.15732	0.3
205.26630	0.3
267.08777	0.7
287.20328	0.4
327.10867	0.8
387.09384	15.2
456.09787	0.3
707.75867	0.3
756.51886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99979	0.3
59.01244	20.1
59.02380	0.3
69.76971	0.3
71.01241	1.1
71.68657	0.3
73.02810	0.4
85.02819	0.8
89.02316	0.4
93.03301	0.5
101.02319	0.8
113.02291	0.6
119.01237	0.9
119.04894	94.8
119.08099	1.2
120.05245	1.3
123.59162	0.3
143.02708	0.3
151.83031	0.3
161.04440	0.5
161.88345	0.3
163.03908	100.0
163.09116	1.1
164.04213	0.7
186.35956	0.4
193.75104	0.3
205.05035	0.9
232.80983	0.4
236.80721	0.4
305.15997	1.0
347.17178	1.5
367.10333	9.3
623.34967	0.3
713.92755	0.4
727.91211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.4
60.29432	0.2
60.91831	0.3
62.96268	0.8
78.93944	1.7
78.95760	100.0
78.97834	0.9
82.33759	0.2
88.05572	0.2
96.94347	0.3
96.96824	13.7
103.85104	0.3
111.01866	9.5
111.18960	0.3
119.98493	0.3
120.96846	0.3
129.28877	0.3
136.96358	0.4
137.99504	0.8
138.97884	0.4
146.98396	0.6
150.97949	0.4
153.21445	0.3
158.92436	56.4
162.30659	0.3
167.45477	0.6
174.97951	3.5
176.93500	9.3
176.95050	0.5
183.56972	0.3
192.99010	0.8
211.00122	0.6
214.42336	0.3
215.16521	1.1
240.02872	0.7
246.01767	1.3
254.94682	0.5
263.76120	0.3
264.02832	3.8
272.95718	17.2
280.02444	0.4
282.03891	7.0
305.01813	2.8
323.02786	2.0
343.99426	3.7
384.98483	19.9
402.99557	3.1
480.20154	2.0
498.21011	1.6
510.78809	0.3
560.16827	2.6
588.06488	1.1
801.47943	0.3
804.23718	39.5
805.24664	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	4.3
58.00455	1.5
59.00970	1.6
59.01244	22.1
61.15414	1.0
69.03281	1.1
70.99861	1.1
71.00874	2.3
71.01241	31.3
71.04877	8.4
73.02802	5.7
75.00726	1.2
83.01263	18.4
83.04861	2.0
83.67913	1.2
84.02042	2.8
85.02803	18.9
85.06429	1.7
87.00748	2.6
95.01245	3.8
99.00587	8.7
101.02313	8.7
103.44683	1.2
112.01533	13.0
113.02309	19.4
113.09588	5.0
114.27348	1.3
123.00510	2.1
123.08040	1.5
125.02249	2.4
125.09612	2.0
125.20502	1.2
128.03409	2.3
135.00412	1.3
141.01581	18.7
141.09091	3.4
143.03375	3.6
143.10658	45.4
153.01563	4.7
155.03168	2.8
163.07297	8.6
165.08893	3.9
166.99532	8.3
167.03236	1.4
183.02675	37.5
201.03807	3.3
214.97029	1.4
225.03851	3.0
225.11011	5.3
227.01649	2.9
250.16977	1.5
287.15018	43.8
309.13199	3.6
325.12814	2.9
327.14258	36.0
339.14163	2.6
369.15326	100.0
370.15521	2.5
371.13263	16.5
387.16467	3.3
392.55771	1.3
413.14069	8.4
500.14960	1.6
551.06262	1.5
596.68402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	30.3
64.43234	1.1
65.26088	1.1
71.01241	2.2
73.12585	1.6
89.02319	1.8
101.02327	2.5
112.75359	1.3
114.18450	1.4
119.03428	1.4
130.34177	1.4
135.27711	1.3
235.08374	1.5
249.18599	59.2
253.09297	7.9
259.20718	1.5
277.21747	100.0
328.16824	1.5
375.93246	1.5
533.02252	1.7
805.48846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.5
61.97235	0.9
61.98694	100.0
61.99954	2.0
88.56429	0.2
101.37294	0.2
196.90576	0.2
208.64641	0.2
249.18832	0.3
250.18883	0.4
277.21841	0.7
278.22177	0.5
320.40674	0.2
692.21967	0.2
736.08881	0.3
832.34467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.6
57.67244	0.5
58.00465	1.2
59.00043	0.6
59.01241	21.6
59.46191	0.5
61.85955	0.5
67.01755	0.7
69.03304	1.3
71.01235	25.8
72.99168	1.1
73.02808	1.7
75.85200	0.5
81.39423	0.6
81.58346	0.8
83.01241	27.1
84.02042	1.7
85.02804	24.1
85.99962	1.0
87.00732	1.9
95.01237	5.1
97.02817	1.9
99.00670	4.0
101.02314	4.0
111.00675	1.1
112.01522	7.2
113.02306	18.5
113.09641	1.0
123.00530	1.1
124.01506	0.9
125.02225	1.3
135.00584	0.7
141.01563	9.7
143.03377	6.1
143.10687	2.6
145.12222	7.0
151.00027	1.4
153.01610	3.9
161.04544	0.7
163.07315	3.2
163.23341	0.7
165.08867	6.3
166.99506	3.2
167.03119	1.6
167.10457	1.9
177.08829	0.7
183.02670	14.0
183.09938	0.7
189.11249	1.1
207.09810	0.6
209.07922	0.9
224.35365	0.8
225.03748	3.9
227.01782	1.4
227.12744	1.5
241.14467	1.2
259.15509	2.6
289.16574	36.3
290.16934	1.0
311.14682	1.4
327.14261	2.5
329.15829	18.5
340.99228	0.7
341.15836	2.8
355.13531	0.7
371.16876	100.0
372.17273	3.2
373.14725	7.9
389.17947	1.4
413.17487	1.1
415.15823	9.1
431.18912	0.8
459.14505	0.9
504.78955	0.7
577.91949	0.8
595.19067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	4.4
59.01243	17.1
71.01237	7.4
78.95764	2.8
80.19551	2.2
81.94280	2.1
83.04877	9.4
87.00751	2.5
89.02312	9.0
101.02293	8.4
109.02824	2.7
109.06422	2.2
111.08021	85.2
113.02325	5.4
113.47474	2.2
129.09091	2.8
142.86951	3.0
152.99515	4.1
173.08104	63.3
179.05508	2.6
183.01225	4.5
207.02708	2.4
221.06595	4.1
234.86784	2.4
251.20110	8.3
255.23334	17.3
279.23288	16.0
290.99292	2.5
325.18417	7.1
326.37640	2.5
435.26373	2.4
454.54205	2.5
483.27463	3.8
553.21320	3.1
571.22552	6.7
654.38904	2.9
809.45599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
68.60062	56.2
79.92991	66.5
101.37355	67.2
126.91416	69.9
152.82294	82.6
180.80951	81.5
195.86513	70.7
228.37871	84.9
326.36450	77.6
515.39319	100.0
843.75830	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
66.08108	0.1
67.61760	0.1
71.01239	0.5
73.02781	0.3
74.57616	0.2
75.00732	0.5
82.07171	0.2
93.03310	0.4
114.43806	0.2
117.01792	0.6
119.01813	1.0
119.04891	100.0
119.08469	1.2
120.05227	1.4
135.02873	1.6
147.04422	0.2
163.03906	100.0
163.09637	1.0
164.04247	1.4
176.04668	0.2
205.05035	0.3
281.06619	0.6
367.10391	11.2
368.10776	0.2
381.57309	0.2
443.11954	1.1
485.13037	39.2
486.13437	1.1
529.12274	0.4
654.43842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	100.0
68.42043	23.7
86.40633	27.7
113.03255	25.2
117.16848	28.4
127.72050	30.0
137.82124	29.8
231.03673	32.6
237.83914	30.1
242.24092	29.4
255.23190	82.5
397.93869	33.4
496.91360	33.1
815.52344	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.9
67.35423	1.1
69.55455	1.1
85.35922	1.2
87.66536	1.1
93.03310	8.1
95.01279	1.3
109.02831	1.9
121.02831	1.6
122.03587	8.1
123.00748	18.4
123.04375	26.5
124.01544	9.6
128.03427	1.7
128.39969	1.3
137.02332	17.5
138.03099	28.4
139.03862	4.8
153.05449	12.8
166.55211	1.3
166.99747	18.6
168.00540	19.8
181.01245	1.5
182.02126	52.1
182.96468	1.5
183.02910	48.2
193.38737	1.3
197.04486	100.0
239.05591	3.0
297.08145	1.7
302.16504	1.5
306.19809	1.6
327.10724	1.9
387.09183	6.9
401.10925	35.2
524.62128	1.4
725.29712	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
61.98726	4.5
67.58743	3.7
80.38511	3.0
84.54626	3.3
101.02329	3.7
115.86593	3.4
141.01584	56.0
143.67757	3.0
148.46707	3.3
191.60640	3.6
266.11905	3.6
277.21841	5.9
359.22159	6.2
373.10721	3.2
397.13599	13.8
415.14682	4.7
437.13098	4.0
631.68774	3.7
766.67139	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	100.0
59.02406	2.0
71.01243	1.8
71.45615	1.2
76.04855	1.2
80.81219	1.2
82.85696	1.4
92.05077	1.6
97.02797	1.6
101.02316	2.5
116.92741	1.8
118.89524	1.5
141.01582	55.7
259.83029	1.6
279.23218	9.0
345.90802	1.7
361.23709	5.1
397.13525	15.5
415.14709	2.5
419.11807	2.5
437.12698	3.6
493.50192	1.7
699.35632	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	10.8
60.35925	5.7
71.01244	18.5
73.02794	12.4
73.32908	5.9
73.58272	5.9
75.00733	10.3
80.75169	6.5
87.00732	10.4
88.98653	10.7
91.72739	6.4
93.90667	6.5
101.02341	7.6
117.01833	10.5
119.04887	44.9
128.03381	6.9
129.01033	7.5
135.02888	54.6
138.24681	7.1
146.08125	18.4
163.03911	100.0
171.66188	8.2
191.73264	6.9
274.72946	7.5
281.06696	59.1
422.16849	81.9
756.68201	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.5
59.34128	0.5
61.90152	0.5
62.96252	0.6
71.01267	0.4
75.50795	0.4
78.93734	1.0
78.95757	100.0
78.97556	1.7
85.54587	0.6
85.85638	0.6
96.95885	0.8
96.96813	14.8
101.02310	0.6
111.01869	10.2
133.90706	0.5
136.96300	0.6
137.99455	0.6
138.97852	0.7
146.67046	0.5
146.98373	0.6
158.92433	50.8
158.97685	0.7
165.96750	1.2
174.97932	3.3
176.93494	7.3
211.00026	0.9
211.58200	0.6
212.12257	0.5
231.15982	1.3
246.01712	1.2
254.94571	0.6
264.02814	3.5
272.95715	17.1
282.03806	7.5
305.01801	2.4
323.02866	1.4
343.99283	1.2
377.57697	0.6
384.98444	18.9
402.99503	3.1
439.58524	0.5
496.19449	2.1
514.20483	1.6
558.70209	0.7
576.15942	2.9
588.06805	1.3
820.23181	39.8
821.23340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	12.2
61.34962	2.2
67.97223	2.6
70.41013	2.4
71.01237	6.6
76.20481	2.3
78.95762	100.0
89.02290	2.5
96.95879	2.8
96.96837	15.8
101.02329	5.3
103.07702	2.6
111.01870	10.2
119.03288	2.9
126.46806	2.9
128.03416	6.3
133.42929	2.7
136.07558	3.0
149.70009	2.7
158.92430	56.0
161.04588	3.8
174.97945	3.1
176.93576	6.2
224.34007	3.6
249.72081	4.5
262.19067	3.4
264.02631	4.2
265.27969	3.1
272.95740	14.8
282.04007	6.2
384.98523	17.0
402.99597	4.1
417.17865	5.8
461.48474	3.4
463.64575	3.4
558.69751	7.9
559.19952	4.5
611.22229	3.6
640.73193	4.1
820.23407	45.9
854.71259	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25893	1.2
59.01234	8.0
63.43608	1.9
63.71773	1.2
71.01235	18.5
73.88895	1.6
74.38853	1.3
85.02825	9.2
97.02779	2.5
101.02311	2.2
103.15177	1.5
106.04106	27.7
107.04887	66.0
108.02018	2.8
109.58772	1.5
111.00533	2.7
113.02319	12.5
133.06447	2.7
151.03900	2.0
173.02106	96.3
183.63597	1.7
191.03224	9.7
287.05447	3.4
295.08398	1.8
301.97064	1.8
317.06418	32.6
335.07483	23.5
372.71747	2.0
377.08572	100.0
377.13687	4.2
385.41504	1.8
387.32181	2.0
391.23575	1.9
566.29205	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01001	0.9
59.01241	10.0
59.63288	1.0
65.17794	0.9
68.99673	5.6
69.03304	2.4
71.01236	12.5
72.99155	1.2
73.02802	5.3
75.00710	3.8
80.96369	1.3
82.79881	0.9
83.01214	4.0
85.02802	12.9
87.00733	6.2
89.02301	9.9
95.01231	2.7
97.02795	3.8
99.00732	18.8
101.02290	11.0
109.02814	1.2
111.00721	5.1
113.02306	15.1
113.99467	14.6
115.00231	19.1
117.01806	1.1
119.03369	5.2
125.02299	2.2
127.00246	7.7
129.01811	5.4
131.03377	1.3
139.00272	4.1
157.01343	6.5
161.04459	4.0
169.01328	1.4
174.01596	9.3
175.02402	4.1
179.05498	4.5
221.06612	11.5
277.05652	4.9
317.05261	2.4
319.05170	3.1
319.35590	1.2
383.11893	3.6
763.22351	2.5
766.95343	1.6
823.23657	100.0
824.23389	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	10.7
67.17717	1.0
68.99675	6.6
69.03312	2.3
71.01235	14.9
72.99150	1.1
73.02792	4.2
74.68679	0.8
75.00715	3.6
80.96372	1.0
81.03303	1.0
83.01224	3.4
85.02797	13.7
87.00728	7.6
89.02301	12.2
95.01257	2.3
97.02792	2.5
97.92896	1.1
98.86283	1.1
99.00732	19.7
101.02296	13.3
104.63298	1.0
109.02804	1.4
111.00755	3.9
112.98671	1.0
113.02309	14.9
113.99454	15.6
115.00234	18.6
119.03381	4.9
125.02287	2.8
127.00218	6.9
129.01802	4.1
131.03365	1.3
139.00247	3.9
143.03369	2.6
150.31169	1.1
153.01897	1.0
156.00537	2.7
157.01318	5.6
161.04424	1.9
164.24638	1.2
169.01295	1.7
174.01598	9.4
175.02473	5.0
179.05566	5.8
181.39151	1.1
202.79553	1.1
221.06613	10.5
277.05643	4.9
317.05460	2.0
317.42188	1.1
383.11865	2.4
584.12463	1.3
763.21008	3.1
823.23676	100.0
824.23938	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99969	0.4
59.01240	15.8
61.70261	0.4
61.98689	0.7
64.76743	1.3
64.77045	0.7
69.03307	1.5
71.01234	10.0
72.99150	0.5
73.02798	2.5
73.79245	0.5
74.71770	0.4
77.29781	0.5
78.95741	0.6
80.15202	0.5
81.03278	0.7
83.01230	1.5
85.02787	2.5
85.80209	0.8
85.80647	0.7
87.00716	2.4
89.02299	12.4
95.01276	0.5
95.04848	0.6
97.02806	1.3
97.05849	0.9
97.06445	11.9
99.00723	0.8
101.02304	10.9
103.90638	0.4
109.91919	0.5
110.49223	0.4
113.02296	4.1
119.03381	2.7
123.08022	6.5
125.02319	2.6
125.09589	96.2
125.13096	1.1
126.09892	0.6
143.03329	1.2
143.10648	1.7
161.04417	1.3
169.08589	2.1
179.05539	2.3
180.06390	0.5
185.04414	0.5
187.02545	1.0
187.09674	79.7
188.09979	0.9
201.11171	0.8
211.09798	1.0
221.06641	4.5
235.08235	1.0
255.23288	21.1
261.13623	0.9
335.91406	1.6
397.13339	0.9
405.17758	1.0
415.14291	0.7
567.23114	2.4
585.24054	5.9
683.08618	1.1
727.43231	0.5
823.47052	100.0
824.47827	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	14.8
61.54097	0.8
61.98700	1.1
64.76744	1.2
68.36092	0.9
71.01235	9.1
73.02783	2.2
81.03272	1.0
83.01223	1.1
85.02787	2.9
87.00739	2.6
89.02306	12.1
97.02802	1.9
97.06441	8.8
101.02305	9.2
113.02307	3.6
119.03387	2.3
123.07999	4.1
125.02308	2.0
125.09591	62.1
131.03369	1.1
145.76582	1.1
161.04503	1.2
169.08682	1.2
179.05630	1.5
183.10045	1.2
187.09691	34.4
192.10619	1.0
221.06558	1.9
235.08257	1.1
255.23285	36.3
335.91669	1.3
397.13638	3.5
585.24463	1.7
649.86224	1.5
823.47046	100.0
824.47644	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.556
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03323	13.5
83.04879	45.5
83.05363	3.2
88.30694	1.7
96.95885	4.9
100.07555	4.7
100.60553	1.4
124.84475	1.5
126.05545	1.9
199.18150	6.8
225.16068	7.2
243.17151	22.5
265.23083	2.0
299.88699	1.8
353.20831	8.7
451.32639	3.1
469.34030	13.8
579.38116	2.8
695.51294	6.8
747.75366	2.6
823.55511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2682
Annotation	Verbascose
Peak:m/z	Relative Intensity
58.99962	1.1
59.01241	87.0
59.02360	1.2
60.55042	1.1
63.72255	0.9
68.52145	1.0
68.99691	1.1
69.03321	1.9
70.03260	1.1
71.01237	67.6
72.99167	2.7
73.02807	21.4
75.00747	1.0
83.01236	11.2
85.02798	19.4
87.00719	11.1
89.02296	100.0
95.01236	5.3
96.95846	3.0
97.02821	6.8
99.00729	4.4
101.02304	83.7
108.34108	1.0
111.00721	1.6
112.27611	1.1
113.02306	41.1
113.03098	2.0
115.03913	1.6
119.02491	1.7
119.03365	33.2
125.02354	6.4
131.03369	8.0
141.01813	1.8
143.03389	10.9
149.04427	3.6
161.04445	25.2
179.03935	2.6
179.05521	53.5
185.04655	1.2
203.05652	1.7
221.06613	52.0
281.08826	3.4
323.10062	1.6
341.10864	12.7
350.16928	1.3
383.11969	27.2
425.13324	2.1
485.15289	7.7
503.16104	4.7
545.17334	4.3
560.72546	1.4
647.20209	6.8
782.20758	1.4
827.26843	86.5
828.27753	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00069	2.5
59.01241	100.0
62.25805	3.0
71.01235	36.6
73.02804	49.2
83.01259	10.9
85.02788	7.6
89.02299	16.9
95.01258	3.2
96.95862	3.2
101.02305	53.1
110.92746	2.7
113.02304	24.4
119.03372	6.9
132.70485	2.9
134.38049	2.8
143.03381	3.8
148.93721	2.9
149.04431	6.2
155.76805	3.0
161.04453	8.4
166.67064	3.2
166.68549	3.0
184.59758	2.9
221.06541	3.5
724.05457	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.2685
Annotation	UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine
Peak:m/z	Relative Intensity
59.01245	1.8
62.96264	1.0
66.50902	0.3
78.93961	1.6
78.95761	100.0
78.97808	0.8
96.96822	13.3
111.01865	10.0
117.20234	0.3
136.96365	0.4
137.99521	0.7
138.97893	0.6
146.98453	0.4
158.87242	0.7
158.92436	50.2
158.98227	0.5
164.88956	0.6
174.97939	2.7
176.93500	10.0
190.01277	0.3
192.98961	0.8
211.00099	0.7
222.01775	0.4
240.02826	0.6
243.19638	1.0
246.01729	1.5
263.75845	0.3
264.02798	2.8
272.95728	15.6
282.03824	5.8
305.01807	2.4
323.02805	2.2
343.99414	3.1
384.98477	17.0
402.99573	3.2
508.23166	1.6
526.24457	1.5
588.06482	0.6
588.19678	2.5
787.34857	0.4
832.26849	35.1
833.27344	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66810	1.7
66.54575	1.7
67.39294	1.9
76.80791	2.0
78.95762	100.0
96.95875	2.6
96.96807	13.4
97.69798	1.8
111.01891	10.1
122.65483	2.1
127.32640	2.1
135.29970	1.8
138.00888	2.3
145.88261	2.4
149.96161	1.9
158.92422	55.1
174.97945	3.0
176.93567	11.3
207.70190	2.3
220.16069	2.5
264.02750	3.5
272.95804	17.0
282.03860	4.3
305.01804	2.9
343.99463	3.6
379.41351	2.1
384.98450	18.0
402.99539	5.1
405.24481	2.2
588.20013	3.5
756.82489	2.5
832.26746	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.2
63.96087	1.3
68.07717	0.4
71.00867	0.8
71.01234	7.6
73.02791	1.5
74.54210	0.5
78.95749	0.7
78.98450	6.2
79.95588	14.7
80.94518	1.3
80.96373	71.4
81.03333	0.8
82.95949	1.6
85.02801	3.1
87.00729	3.1
94.97325	1.1
94.97939	17.8
96.95851	1.2
97.02788	1.6
97.65166	0.6
99.00760	0.8
101.02301	2.6
103.74786	0.5
106.97934	3.6
112.62701	0.6
122.97440	3.1
125.02302	3.0
131.67361	0.5
134.97446	5.9
136.99019	1.7
148.99060	6.9
152.98514	6.3
164.98526	13.7
167.80276	1.0
170.87881	2.1
188.98508	0.9
203.71393	0.6
206.99620	3.2
225.00697	23.8
227.00313	1.0
255.23293	2.2
283.04785	0.8
295.22614	1.1
304.07233	0.5
502.71661	0.9
537.27484	2.5
570.65106	0.9
577.26917	1.6
706.63776	0.6
756.74866	0.7
832.50061	1.1
833.50928	100.0
834.50513	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5192
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01231	3.7
67.42416	0.8
67.57063	0.7
71.01229	1.8
78.76625	0.8
78.95763	48.6
78.97728	0.9
79.95589	1.9
80.34906	0.8
80.96381	10.5
94.92371	1.8
94.97935	2.8
96.96824	12.7
101.02311	1.1
105.78062	0.8
116.97117	1.2
119.48299	0.7
120.70882	0.8
122.97581	0.9
134.98409	1.0
152.98337	1.3
152.99471	16.7
164.77890	1.4
164.98578	1.7
189.86012	0.9
212.89641	1.0
222.98187	0.9
223.00084	6.6
225.00711	2.7
241.01152	29.3
255.23305	52.7
256.23657	3.7
259.02322	1.6
277.21704	8.4
279.23315	41.5
295.22739	3.2
296.22995	1.3
297.03989	1.3
315.04895	1.6
391.22617	5.9
450.07321	1.0
553.28040	5.4
554.51349	1.0
582.15051	1.0
615.06897	1.0
694.53094	1.1
759.54059	2.6
832.50531	1.3
833.51788	100.0
834.51953	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	71.9
67.58749	1.5
71.01241	65.2
73.02804	31.3
75.00752	1.7
77.78503	2.1
79.71490	2.0
81.03339	3.0
83.01266	8.7
85.02805	24.9
87.00298	2.1
87.00706	10.1
89.02295	100.0
91.71071	1.8
95.01258	2.9
97.02792	15.1
99.00751	3.6
101.02305	94.2
103.03901	2.4
113.02303	47.5
115.03910	3.6
119.03377	43.0
119.04146	2.6
119.04862	2.5
125.02359	7.6
131.03419	7.3
135.02875	2.1
141.01909	2.7
143.03380	18.2
149.04431	2.4
155.65219	1.9
157.00920	2.1
158.88806	1.9
161.04453	30.1
161.05634	2.6
179.05524	82.5
185.04556	3.6
192.02740	1.9
221.06625	50.6
281.08832	4.1
341.10904	22.1
365.11029	3.5
383.11990	66.6
383.16785	4.3
384.30121	2.5
425.13666	3.2
443.14145	12.3
503.16461	5.7
545.17401	27.9
623.08929	2.4
751.25299	54.9
824.71985	2.7
837.28906	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	70.9
63.70175	2.1
65.80222	2.1
67.92888	2.4
68.24277	2.2
69.03307	3.5
71.01240	67.1
72.15763	2.1
73.02808	38.4
83.01237	10.1
85.02804	20.6
85.60576	1.7
87.00728	8.9
89.02298	98.1
95.01245	5.0
97.02805	15.9
99.00715	3.8
100.34365	1.9
101.02309	100.0
113.01565	2.8
113.02314	44.6
119.03362	40.4
125.02314	6.8
131.03375	9.2
143.03403	14.7
149.04536	4.3
161.04443	30.8
179.05516	74.8
184.23483	2.6
185.04593	3.5
215.92593	2.7
221.06631	53.3
245.06715	2.8
252.58470	2.4
263.07260	2.4
281.08835	4.9
341.10898	22.9
383.11957	77.0
433.20523	2.6
443.14093	9.0
458.65784	2.6
503.16165	6.7
545.17157	23.8
751.25104	57.9
788.54858	2.6
837.28925	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	82.3
60.40455	1.7
69.03316	2.3
71.01238	74.0
71.43156	1.9
72.99195	4.9
73.02804	50.8
73.71708	1.9
77.07013	2.3
81.03300	3.7
83.01226	10.1
85.02810	22.2
87.00733	8.8
89.02293	99.7
91.73480	2.2
95.01256	6.0
97.02824	21.6
99.00734	4.2
101.02301	100.0
108.61701	2.0
113.02303	51.4
115.03878	7.2
119.03368	40.0
125.02319	8.7
126.62006	2.7
127.63017	2.8
131.03371	5.9
143.03400	15.9
161.04446	81.9
179.05524	45.3
197.43690	1.9
221.06622	57.1
247.79933	2.2
263.07709	4.0
273.46536	2.6
281.08832	6.8
301.49228	2.6
327.91455	2.9
341.10928	44.5
341.14740	4.4
365.10822	5.3
369.57925	2.7
383.11951	62.0
422.16647	2.9
443.14066	9.5
503.16385	11.2
545.17255	46.4
712.82996	2.8
734.25122	2.7
751.25153	52.0
837.29059	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01220	5.5
59.80962	4.5
59.95391	4.3
61.98681	16.2
72.52514	4.7
76.50994	4.4
78.95769	9.9
80.96407	5.3
113.02292	5.2
115.23911	4.6
117.43854	4.7
123.70651	4.9
137.09644	9.1
150.74118	4.6
153.09018	6.3
155.10690	26.6
171.10191	64.4
209.11757	74.8
227.12903	10.0
235.08183	8.8
238.52165	5.5
253.09279	10.4
255.23283	100.0
306.28226	5.4
323.25894	7.3
327.21729	14.1
407.19086	7.4
424.01700	6.1
445.20932	5.7
594.21021	7.8
741.98877	7.7
837.51007	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00967	1.0
59.01245	12.3
70.99716	0.5
71.01242	23.3
71.02957	0.5
71.04886	3.3
73.02808	3.8
83.01246	1.5
85.02814	1.4
87.00755	1.1
88.03895	3.0
89.02293	4.2
99.00758	0.8
99.04368	0.9
101.02306	5.7
108.51970	0.5
113.02296	3.0
116.03378	0.8
116.07080	0.7
119.03365	1.0
125.02405	0.8
128.07051	2.4
135.02863	0.8
146.03719	0.6
146.08118	39.3
148.63974	0.6
161.04443	1.2
163.03876	0.5
181.66901	0.5
200.09242	1.4
204.08911	0.8
248.84641	0.6
264.02246	0.6
290.12506	6.4
308.13538	8.7
350.14633	0.8
362.14682	3.2
379.47360	0.6
380.15601	8.4
404.15930	0.9
422.16718	100.0
423.16797	0.8
466.15323	0.6
861.55115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.4
68.99677	1.5
71.01228	2.0
72.00757	2.6
73.02789	0.7
75.00733	0.6
83.01228	1.1
85.02806	3.7
85.73147	0.3
87.00730	2.0
89.02283	0.6
89.03418	11.4
95.01240	0.6
97.02820	0.5
99.00739	3.4
101.02313	1.5
101.49767	0.3
111.00713	1.1
113.02297	3.9
113.99448	9.8
114.00256	0.5
115.00230	6.4
115.01103	0.5
115.01363	0.6
127.00234	1.4
129.01794	1.8
132.04025	8.9
139.00252	0.8
141.01791	0.4
143.35190	0.3
157.01312	3.7
161.87401	0.3
169.01321	1.1
174.01605	12.8
174.03130	0.7
175.02405	3.4
175.04619	6.1
277.05649	15.7
293.09039	0.3
337.07779	100.0
338.07999	1.0
357.67685	0.3
410.95432	0.4
439.10724	0.3
456.53235	0.3
499.13116	3.1
665.21704	0.4
756.54510	0.4
841.49359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92250	0.3
59.01226	1.1
68.53229	0.3
68.99672	1.4
71.01224	1.6
72.00751	0.6
72.71767	0.3
73.02795	1.2
74.94247	0.3
75.00731	1.0
83.01217	0.6
85.02809	3.1
87.00720	1.5
89.02279	0.8
89.03411	2.6
93.01459	0.3
93.41579	0.3
95.01238	0.7
99.00738	3.0
101.02289	1.6
111.00724	1.1
112.98683	0.4
113.02323	3.5
113.99453	9.8
114.63826	0.4
115.00249	5.9
115.01056	0.6
119.30453	0.3
127.00212	1.4
129.01808	1.8
132.04001	1.3
139.00220	1.1
141.01801	0.4
157.01309	3.6
169.01323	0.7
174.01605	12.9
175.02354	2.9
175.04628	1.5
277.02600	0.7
277.05643	16.6
337.07785	100.0
338.08112	1.3
464.66989	0.4
486.19586	0.4
499.13046	4.0
659.01837	0.5
730.49231	0.4
761.44159	0.4
790.67767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	48.9
60.65648	4.2
70.54005	4.6
71.01245	42.9
73.02806	16.3
73.87274	4.6
80.57413	4.9
81.34804	5.1
85.02814	10.1
89.02309	70.0
96.95876	11.2
97.02824	12.7
99.00739	7.1
101.02296	64.0
103.95049	5.2
113.02290	36.9
116.15239	4.6
119.03345	31.4
121.87811	4.5
124.01501	6.3
125.02353	9.8
128.62489	4.9
128.72339	5.1
134.03621	100.0
137.02319	18.3
139.03841	6.4
143.03441	10.9
149.05966	20.9
153.57475	5.5
161.04454	57.5
163.03856	9.6
168.00549	10.1
178.02641	69.1
179.05542	72.5
183.02881	31.3
193.04991	74.7
221.06639	40.8
281.08817	7.3
341.10919	21.3
355.08835	6.7
381.27063	5.2
383.11792	43.4
383.19897	6.1
387.09232	10.0
545.17084	7.4
569.17108	16.3
596.13385	6.7
617.13135	6.4
647.20300	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00065	1.7
59.01242	100.0
59.02522	1.9
61.82096	0.8
62.32188	0.9
70.22968	0.9
71.00867	1.9
71.01239	26.9
72.99172	1.2
73.02807	17.2
75.96232	1.0
78.95757	3.6
83.01226	5.2
85.02807	12.6
85.43797	1.0
87.00743	2.4
89.02296	20.8
95.01212	3.1
97.02792	2.0
99.00734	1.4
101.02296	17.4
113.02306	29.1
117.41062	1.0
119.03386	7.0
124.01545	1.2
125.02298	4.9
128.24800	0.9
131.03352	1.5
143.03375	3.4
149.04401	1.6
161.04453	7.2
161.05733	1.3
179.05519	3.9
183.53755	1.1
426.85226	1.2
429.51108	1.3
489.28458	1.5
633.33026	8.0
651.33887	29.7
669.34790	12.9
693.34686	8.2
711.36023	20.1
725.12860	1.2
753.36743	2.2
761.48517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33387	2.2
58.99685	2.1
59.01250	4.1
70.02890	2.5
72.04437	3.3
74.58364	2.8
78.95746	2.2
81.04668	2.9
88.98653	2.5
98.02361	3.7
100.03935	8.9
130.05028	11.7
136.07622	7.2
149.04706	3.0
149.10637	2.6
163.41223	2.4
174.04109	7.9
208.02866	5.8
214.11169	2.9
215.08232	8.6
215.11852	28.0
232.08415	3.6
241.09816	85.1
259.10876	12.6
267.07892	3.1
268.08682	5.4
285.08871	17.5
286.09781	4.9
303.09882	51.9
310.81097	2.8
391.17148	5.2
434.16922	4.1
452.18137	13.6
466.16138	4.4
470.19290	39.8
550.06116	2.8
569.59113	3.2
633.25781	100.0
755.61694	2.9
867.48718	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87179	12.6
59.01265	28.2
61.98696	23.5
65.49714	14.5
67.44659	14.2
89.02332	22.0
91.72756	17.7
101.02299	15.5
130.69048	14.2
139.21799	21.1
141.32381	15.9
150.82704	16.5
164.80313	17.5
171.10184	100.0
187.34090	18.4
190.19656	16.1
199.64159	16.5
241.40239	17.4
255.23489	48.9
256.37576	18.3
310.22339	17.5
397.13721	58.8
597.28162	22.5
730.61060	24.3
843.45386	78.6
874.88354	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99943	0.8
59.01241	39.7
59.02385	0.6
71.01237	27.4
72.99152	1.5
73.02792	2.2
83.01230	1.7
85.02795	4.8
87.00723	2.7
88.99921	0.7
89.02293	39.8
89.04424	0.6
95.01255	1.4
97.02822	0.8
99.00729	0.8
101.02300	21.6
102.12603	0.6
113.02302	16.3
113.03094	0.8
119.03366	15.6
125.02263	0.6
131.03371	1.9
136.49118	1.1
139.27158	0.6
143.03375	2.7
149.04472	1.2
161.04475	5.3
178.98857	0.8
179.05524	12.9
182.18330	0.8
221.06641	2.3
265.20346	0.9
323.09821	4.2
341.10849	1.5
398.08139	0.6
503.16202	100.0
504.16580	2.2
559.19141	0.6
653.65643	0.7
787.39612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00075	1.9
59.01240	100.0
59.02585	1.0
60.01576	0.3
63.35132	0.2
71.01239	5.8
72.99155	0.3
73.02795	2.9
73.22036	0.3
75.00745	0.3
78.38229	0.3
81.03312	1.3
81.21963	0.2
83.01238	1.5
83.04864	3.7
85.02800	3.3
87.00739	0.3
89.02294	0.7
95.01273	0.5
97.02851	0.3
99.00749	1.0
99.19500	0.3
101.02294	6.4
111.00734	0.3
111.75973	0.2
113.02293	3.0
125.07086	0.6
129.01881	0.3
136.38426	0.3
143.03433	0.3
143.08195	0.3
144.79425	0.6
145.12239	0.3
148.49156	0.3
159.02925	0.9
161.04440	2.7
170.15781	0.3
196.05841	0.3
207.15021	0.7
224.17612	1.3
225.16066	3.0
250.45607	0.3
276.59259	0.3
289.16544	1.6
307.17609	8.1
333.23032	0.5
349.18677	18.0
351.23880	0.3
367.27313	0.5
377.43698	0.2
433.31848	1.8
451.32910	33.4
452.33438	1.0
861.27203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	2.3
78.93830	1.2
78.95757	100.0
78.97503	1.4
96.96815	14.5
111.01855	9.9
120.65984	1.0
124.93073	0.8
158.92427	54.9
159.52211	1.2
163.50711	1.0
164.92250	1.0
174.97914	3.8
176.93480	7.7
186.25948	1.1
243.61520	1.1
244.24031	1.0
264.02802	3.5
272.95697	16.3
282.03833	5.7
305.01834	3.3
323.02914	1.6
343.99524	1.9
384.98489	17.1
402.99469	3.8
524.22620	2.5
588.06415	1.2
604.19299	3.3
627.61816	1.2
756.16046	1.3
848.26239	45.4
849.27466	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	6.2
71.01250	4.2
74.02330	16.0
89.02254	4.8
89.85728	4.0
96.95898	11.2
100.00289	4.2
104.03365	7.6
122.05960	9.4
126.53957	3.9
128.03391	6.3
148.03835	9.4
163.03835	4.4
239.08186	7.6
240.09076	10.5
241.09816	38.9
241.13608	4.3
252.09068	9.8
253.09799	32.4
254.10637	10.3
255.11383	6.6
267.11423	21.3
268.12173	6.1
269.13065	22.2
295.10812	27.4
336.13458	5.5
338.15210	22.1
355.15900	6.2
370.14093	17.0
400.15186	17.0
521.20557	4.9
667.31030	5.0
680.09564	5.0
763.32690	6.5
790.09186	5.1
832.34924	5.8
850.35138	100.0
865.06982	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65450	1.3
64.65616	1.5
71.01241	11.7
73.02814	4.0
76.03395	1.9
78.57808	1.5
83.01238	2.6
85.02803	4.2
87.00747	3.4
89.02307	15.5
100.90575	1.6
101.02316	12.2
111.08066	4.3
113.02315	5.8
113.09584	2.2
119.03365	3.6
125.02345	6.2
139.07564	2.9
143.03377	2.5
157.08598	100.0
161.04460	4.0
179.05490	4.3
221.06755	2.0
235.08199	2.8
255.23302	48.3
273.05426	2.0
309.43738	2.1
323.09976	2.2
379.12585	12.7
397.13495	35.0
415.14603	4.8
537.22064	4.3
555.23199	4.4
653.37646	3.0
710.62274	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	1.5
65.89152	0.9
78.38183	1.0
78.93881	2.1
78.95760	100.0
83.51139	1.0
93.22794	1.0
96.96816	19.4
111.01901	2.2
138.97919	1.4
158.92421	5.0
180.90637	6.2
193.46196	1.1
198.91736	16.8
216.92908	2.0
240.92848	11.3
264.02853	5.3
282.03815	11.6
312.95050	3.8
324.05014	1.7
383.98657	2.4
424.97754	5.1
444.00833	7.0
486.02353	1.7
537.03192	2.9
563.51953	1.4
627.06104	3.9
670.06848	27.2
854.24988	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
62.32049	0.5
69.30708	0.6
69.90665	0.7
74.21126	0.5
83.69701	0.5
91.72704	0.7
96.95885	1.0
97.34161	0.7
101.36101	0.7
119.04883	0.8
126.21065	0.6
133.48895	0.8
134.03610	1.6
135.00375	1.1
135.04395	64.6
179.03409	100.0
180.03700	0.8
190.12950	0.8
225.52409	0.8
275.89990	0.7
322.78149	0.7
368.75073	0.8
383.09818	9.0
495.98904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79929	0.6
71.01233	10.9
72.99174	1.0
73.02807	5.1
76.33385	0.8
83.01246	1.7
85.02803	3.4
85.29728	0.8
87.00761	1.0
89.02294	8.0
100.59196	0.7
101.02309	10.3
113.02309	3.8
113.09556	4.1
119.03355	2.5
125.02327	1.0
128.03430	1.5
141.09114	7.2
143.81062	0.7
159.10162	21.6
159.11407	1.5
180.78313	0.7
265.61227	0.8
303.14508	12.9
321.15564	43.4
353.00931	1.0
363.16641	100.0
364.16833	1.3
406.18704	3.2
407.19016	2.9
524.12982	0.9
880.06207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98683	25.9
62.35588	6.8
71.01235	15.5
78.95780	12.7
79.95581	15.8
80.96381	45.3
91.73386	20.9
94.97929	20.7
109.62136	7.7
126.18369	8.2
148.98979	11.7
164.98599	13.5
171.10188	14.9
172.15662	9.5
175.56812	9.7
182.60405	8.9
225.00826	35.4
237.33110	10.0
247.95442	9.4
255.23349	34.5
281.24963	14.3
303.23309	12.3
704.80035	15.3
763.28870	12.3
861.47125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.5457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	2.8
64.38824	1.3
69.04401	1.4
71.01269	2.4
78.95762	36.4
78.96186	2.3
80.96387	2.9
83.04921	1.7
84.02039	1.5
91.73373	3.2
96.96833	1.6
97.11443	1.5
117.96754	1.6
122.98418	4.0
124.99997	3.0
125.09644	3.8
127.07570	6.3
139.07568	2.0
141.09109	1.9
152.99553	4.4
153.09183	3.8
160.41412	1.8
163.11130	1.9
165.12717	2.1
168.04216	9.5
171.10234	3.6
185.11827	7.0
197.11836	12.4
209.11777	35.0
224.07005	6.2
245.19072	2.6
255.23285	100.0
256.13126	1.8
273.00159	1.7
289.18201	6.9
307.19168	17.2
321.20764	9.4
325.20224	13.4
339.21814	4.5
480.30869	5.1
608.77710	1.9
638.99860	1.9
715.44861	2.0
717.43311	4.3
743.46014	3.2
784.51709	11.5
787.14764	2.3
788.50891	94.3
789.51733	5.0
802.52435	11.6
862.47424	3.5
863.47675	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	2.8
63.26469	2.2
66.25732	2.5
75.91547	2.8
76.57646	2.6
78.95760	39.5
79.95602	5.4
80.96358	20.9
83.01262	5.5
83.04887	3.9
94.97940	6.1
110.14063	3.0
111.17950	2.8
118.86673	3.3
122.98448	4.2
124.99961	4.5
125.09637	4.8
141.09058	4.8
152.99544	7.3
163.11244	4.2
164.98569	6.3
168.04231	8.5
185.11800	12.0
191.10645	3.9
197.11717	8.8
208.52731	3.4
209.11771	46.9
213.11038	3.2
223.13373	19.2
224.06949	5.1
225.00774	4.0
226.12129	7.3
241.14432	37.6
255.23288	100.0
280.87897	3.5
327.21796	13.5
341.23553	5.2
419.25659	6.3
502.78323	3.6
619.36755	10.3
645.38348	8.5
704.45099	46.1
790.52557	78.2
804.54694	5.9
864.48273	20.7
865.49316	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24470	5.1
61.98685	16.2
71.01238	6.7
71.11139	4.7
76.06873	4.5
78.95754	39.0
79.95583	6.0
80.96375	38.6
84.02056	15.5
87.69562	4.9
88.87733	5.3
91.73323	7.7
104.50950	5.8
112.09106	5.2
127.11140	10.2
137.09616	35.1
155.10669	49.6
168.04274	7.1
171.10170	63.0
185.11746	57.2
186.75871	6.9
224.06795	6.7
225.00801	9.4
255.23276	100.0
327.21890	12.5
335.36755	6.1
338.49966	7.0
390.43423	6.7
480.31885	8.3
540.78815	8.7
634.41327	10.9
648.42285	45.3
756.74054	6.8
785.47150	7.8
786.52979	8.6
790.52441	75.1
864.49146	36.8
865.49139	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	5.8
78.95758	38.6
78.98451	3.0
79.95595	5.1
80.96374	21.6
81.03319	4.0
83.01236	3.2
83.04866	2.6
84.02027	1.7
85.12274	1.7
94.97952	3.9
95.04910	1.8
97.02785	1.8
101.02329	1.9
110.64384	1.6
111.22971	1.4
117.15391	1.3
118.19392	1.4
122.97496	2.3
122.98389	3.0
123.93394	1.5
124.99987	4.4
125.09608	4.2
131.89761	1.5
150.13535	1.6
152.98410	2.4
152.99478	9.4
163.11125	4.1
164.87263	1.5
164.98494	2.7
165.12651	2.3
168.04242	8.0
171.10211	1.7
185.11760	4.7
191.10706	3.9
197.11787	6.5
203.05325	1.5
209.11768	48.6
223.13341	28.1
223.15392	2.3
224.06992	4.4
225.00723	7.9
226.12064	10.7
227.12962	1.6
241.14430	42.6
249.36710	1.5
255.23273	100.0
279.23450	2.4
324.41956	1.8
327.21774	6.3
395.84811	1.7
419.25897	5.6
480.30942	7.1
484.09793	1.8
619.36084	14.8
645.37561	11.5
657.11151	2.2
659.40088	1.9
674.40002	2.6
704.45081	54.1
719.44946	3.0
790.52484	39.4
790.99036	1.9
864.48785	23.7
865.49438	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
68.66594	1.1
69.03302	1.5
71.01239	66.9
72.99162	2.0
73.02803	100.0
75.00719	2.0
78.95758	14.9
83.01241	24.1
83.02641	1.4
84.27293	1.1
85.02802	15.6
87.00706	1.8
89.02294	20.7
95.01240	4.2
96.95843	1.6
96.96795	2.0
99.00736	3.2
99.04350	1.3
101.02300	94.9
101.05181	1.5
102.19349	1.1
113.02306	36.0
119.03362	13.6
125.02316	4.4
131.03397	8.1
143.03384	10.8
143.10609	1.8
149.04437	21.3
149.05661	2.0
155.03394	2.7
158.92430	7.8
161.04449	47.2
179.05620	1.8
203.05574	4.6
221.06639	26.1
272.95782	2.8
287.14957	2.3
305.16089	12.0
327.13129	3.1
347.17120	28.8
362.81824	1.4
385.18466	1.9
387.20435	3.3
429.21448	40.4
537.36414	1.5
619.18127	1.5
766.73132	1.8
800.09326	1.9
865.26221	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	28.5
68.07653	1.0
71.01237	7.7
71.44753	0.9
73.02820	1.4
76.09673	1.2
78.95757	3.4
78.98452	5.6
79.95593	12.0
80.96376	67.5
85.02801	2.6
87.00723	2.9
94.97950	15.4
96.95923	1.3
97.02802	1.5
99.00768	1.7
101.02301	2.6
102.15741	1.0
102.18443	1.2
106.97945	4.0
110.80669	1.2
122.97443	3.2
125.02312	2.8
134.97427	4.0
136.98965	2.6
145.44719	1.1
148.99030	7.3
152.98537	6.2
152.99565	1.3
164.98561	15.7
168.02792	1.5
185.48192	1.2
195.15425	1.5
206.99738	2.8
225.00705	23.0
249.71083	1.2
255.23289	5.0
282.36673	1.3
306.10376	1.2
363.90320	1.3
519.75720	1.4
537.27240	2.6
559.01172	1.4
568.82141	1.4
609.26245	2.2
638.09351	1.4
709.38586	1.7
783.22369	1.5
811.05511	1.4
865.49896	100.0
866.49854	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98710	1.7
71.01258	1.2
72.46821	1.1
78.95760	35.1
79.18819	1.1
80.96382	8.7
80.96778	0.9
94.97993	2.6
96.96842	1.6
99.08063	4.1
111.40114	1.0
116.65054	1.1
121.73463	1.3
122.98423	1.2
125.00003	2.2
125.09670	1.6
127.11217	4.5
139.11188	10.3
152.99496	10.9
157.12314	2.2
168.04230	6.5
171.10182	38.0
183.13887	2.1
193.12422	1.5
211.13376	15.4
216.15350	1.6
224.07097	4.2
225.00786	2.3
229.14455	8.1
255.23309	76.4
293.21323	2.3
329.23349	39.6
343.24948	2.9
419.25922	2.2
523.41309	1.4
721.46747	26.8
731.72791	1.3
747.48773	2.4
792.54108	100.0
793.53851	2.3
806.55676	6.4
807.50348	1.9
866.49475	8.9
867.51007	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.7
69.54412	1.5
71.01232	26.0
72.27264	1.5
72.99164	2.4
73.02826	3.3
80.03722	1.5
80.13025	1.5
83.01290	1.6
85.02832	6.6
87.00741	8.6
89.02301	32.5
89.02822	2.4
93.06989	2.4
94.18452	1.9
95.01270	2.1
97.02821	4.7
101.02298	25.0
101.04824	1.7
113.02307	14.0
119.03371	10.4
119.08517	4.1
125.02308	13.7
125.55501	1.9
129.80994	1.8
135.11694	9.6
143.03441	6.1
147.11678	24.5
147.12595	2.0
149.04404	1.8
161.04468	8.7
171.10254	2.4
179.05522	10.1
179.10788	6.2
191.10706	24.2
209.11780	63.9
221.06528	2.6
235.08128	11.0
277.21744	100.0
287.07703	3.0
295.00360	2.0
305.08868	4.9
312.10382	1.8
323.10049	3.3
379.12411	11.5
397.13525	71.9
407.77991	2.1
415.14499	24.8
675.35925	3.1
867.49493	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	3.6
71.01235	10.5
78.95762	2.9
79.95600	4.8
80.96368	21.8
85.02800	4.0
87.00716	3.5
89.02303	14.7
94.97945	3.9
97.02802	3.5
99.00747	2.5
101.02318	10.7
107.74321	2.2
113.02319	12.0
119.03381	3.6
125.02346	9.6
127.11193	2.8
161.04457	4.4
164.98547	5.3
171.08691	5.0
171.10172	100.0
179.05574	3.7
201.90585	2.4
209.20573	2.7
221.06636	2.3
225.00748	8.5
235.08231	2.7
255.23300	61.5
270.42892	2.7
361.94751	2.7
379.12637	14.4
397.13522	36.2
415.14578	5.7
569.24420	3.7
653.37878	5.1
867.50873	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	7.4
71.01241	16.0
73.02816	6.9
78.35587	3.1
78.95773	5.7
83.01257	3.3
85.02811	4.5
87.00739	5.5
89.02283	21.6
101.02304	20.2
113.02352	12.7
119.03343	7.5
120.17781	3.5
125.02385	6.6
135.11671	8.5
138.09575	3.5
147.11684	19.3
179.05586	5.9
179.10663	3.7
191.10710	18.9
195.90895	3.1
209.11780	61.7
209.13599	6.1
235.08389	7.6
279.23273	100.0
287.07690	3.8
323.10413	4.2
331.53235	4.0
379.12589	13.6
397.13480	66.1
415.14563	22.3
656.20087	3.4
844.04041	4.3
869.48535	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	2.3
80.91538	1.9
85.02803	89.4
85.04786	1.7
87.74149	1.4
91.37187	1.6
91.73381	4.2
96.95881	2.3
103.03869	100.0
103.06554	1.6
127.03873	3.7
132.60738	1.7
167.03198	3.4
171.06546	15.8
185.04282	2.6
189.07565	4.2
211.05771	4.6
253.06790	1.9
258.92935	2.0
271.24872	1.9
297.09567	6.4
365.12344	4.9
375.00235	1.8
383.13324	8.8
451.15805	4.9
469.16943	9.2
537.19568	4.4
555.20453	4.6
585.72992	2.2
623.23059	3.1
742.39557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24284	2.0
69.03299	2.6
71.01241	79.4
72.99170	6.2
73.02798	27.5
75.00726	2.4
77.37727	2.0
77.64953	2.1
83.01263	11.4
85.02810	30.3
87.00724	18.6
89.02299	87.1
95.01248	6.7
96.95891	3.1
97.02819	7.6
99.00733	6.6
101.02305	100.0
113.02310	54.3
119.03377	30.2
124.01530	3.5
125.02317	11.5
131.03380	5.3
143.03398	14.1
159.02916	3.0
161.03346	2.8
161.04420	13.0
179.05528	28.2
192.03018	2.3
203.05606	3.3
215.06973	2.4
221.06628	65.2
263.16281	2.5
279.11310	2.3
305.16040	5.1
449.20352	4.7
467.21313	11.1
491.58533	2.6
611.26367	4.1
629.26813	3.9
773.30865	82.9
791.32062	87.0
833.32886	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36928	0.3
71.35741	0.4
78.95753	0.3
80.15740	0.3
85.00778	1.5
85.02808	100.0
85.05119	0.7
86.03133	0.9
96.95924	0.3
103.01173	1.5
103.03871	96.7
103.06959	0.7
122.58052	0.3
127.43960	0.4
158.82883	0.4
171.06537	25.5
172.06682	0.3
189.07613	4.4
199.27101	0.3
203.94751	0.4
217.71938	0.3
257.10358	0.6
264.57251	0.4
300.68677	0.3
316.30258	0.3
387.46521	0.4
472.40109	0.4
522.85126	0.4
568.98914	0.4
657.47821	0.4
815.85571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72189	2.4
67.13091	2.7
67.55492	2.2
68.71931	2.7
69.03303	4.9
71.01241	14.2
73.02814	3.8
75.43497	3.9
85.02735	3.0
85.05758	2.7
87.59643	3.0
89.02306	11.0
91.73518	3.4
96.95858	3.9
101.02311	13.3
101.42670	3.8
117.73364	3.0
154.78407	3.0
158.94881	2.9
179.10696	4.9
197.11775	61.1
202.32669	4.0
234.71161	3.1
235.55902	3.3
255.23296	30.3
347.84088	4.1
403.76074	3.5
420.86285	3.8
523.77582	4.2
525.41718	3.9
775.42389	3.5
877.48016	100.0
878.48395	7.8
909.37262	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98685	1.5
63.60929	0.8
69.03314	1.1
70.71069	0.9
71.01235	8.2
71.04874	1.7
85.02813	2.7
87.00732	2.3
89.02306	8.0
97.02810	3.8
97.06441	2.2
99.00741	15.3
101.02302	6.3
113.02323	2.2
119.03371	2.3
125.02380	1.2
125.09581	6.3
159.10153	1.2
161.09534	1.0
163.11215	8.5
179.05634	1.6
181.12277	13.2
199.13350	11.3
207.10213	27.6
221.06630	3.8
225.02419	1.4
225.11281	41.1
226.11882	1.1
243.12372	26.0
255.23340	13.1
279.23401	1.2
328.79419	1.1
336.26974	1.1
466.25760	1.1
623.26050	1.7
641.26923	3.7
879.49683	100.0
880.50269	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01233	0.8
79.33233	0.6
82.02847	3.3
84.04431	0.7
86.02328	2.5
89.02289	1.0
89.91968	0.6
119.03374	0.7
120.01112	1.6
120.04432	0.8
120.13451	0.6
122.06016	0.8
127.05025	0.8
127.08601	1.9
128.03407	20.1
129.05402	1.0
130.04280	0.6
135.66949	1.0
136.07526	4.8
148.03929	9.2
149.04645	3.4
150.04352	1.0
150.05498	12.7
153.06606	1.3
154.04968	1.6
160.03912	0.7
161.04720	1.7
161.07085	1.5
162.05458	1.5
163.02562	0.9
164.03418	1.9
166.08612	2.0
171.07646	5.3
173.03484	6.2
174.04247	10.2
174.05560	0.8
175.05008	4.2
187.08676	1.2
189.06592	6.9
189.08087	0.9
190.07382	11.5
191.08197	1.2
199.08743	1.2
200.07117	1.3
200.09502	1.1
201.07916	1.4
202.07297	1.5
213.06628	1.5
213.10246	2.2
214.08942	1.3
214.10851	3.0
215.08255	6.5
215.11827	14.5
215.13898	0.8
217.09697	1.6
223.08775	1.2
226.07436	0.9
231.07724	13.8
231.49040	0.7
232.08498	17.5
233.07202	0.9
233.09282	5.1
236.09332	1.0
239.08253	1.1
240.08939	1.4
241.09799	37.4
242.08174	1.8
242.10542	1.9
243.07742	2.8
244.08191	5.3
245.06895	0.9
245.09290	2.3
249.05504	3.3
259.10840	6.5
267.07742	2.1
268.08514	1.9
269.09485	0.9
285.05978	0.9
285.08859	10.2
286.07184	1.0
286.09683	6.8
287.10324	1.1
303.09866	25.4
304.10452	2.1
313.12030	0.7
315.13516	8.6
340.13013	2.9
391.16678	2.6
398.17242	8.9
409.17654	2.4
410.17273	1.6
434.17279	2.2
452.18250	10.4
453.16656	2.0
466.15952	1.9
470.19321	52.9
471.19617	0.8
496.17413	1.8
549.59735	0.8
615.24677	3.5
633.25702	100.0
634.26440	2.3
801.77991	0.9
883.32245	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33205	0.9
72.99184	1.4
73.02790	6.1
75.00755	1.1
87.00733	9.1
89.02320	0.9
93.03335	1.3
96.95851	1.4
108.66306	0.8
117.01810	12.3
119.04892	86.3
119.08206	1.3
135.02885	8.4
145.02846	11.2
163.03909	100.0
163.09230	1.5
183.31093	0.9
237.07620	1.1
260.17535	0.9
281.06760	1.7
293.43710	1.0
367.10416	9.6
385.17166	1.1
393.31335	1.0
443.12134	1.0
485.13043	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61637	16.8
71.01248	21.2
88.32844	17.7
89.02304	21.7
101.02337	27.5
115.30591	24.4
130.60519	20.9
147.11604	27.7
150.49440	21.3
209.11792	42.6
261.61731	26.2
276.05490	25.4
277.21854	100.0
294.80017	28.2
379.12408	31.2
397.13675	85.2
415.14728	37.3
511.35300	27.5
686.87152	27.0
903.46301	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04984	13.7
69.09375	12.0
71.01224	13.5
89.02291	29.4
101.02312	15.1
112.68807	12.8
139.06033	13.1
191.10646	27.9
209.11800	90.2
235.08394	15.3
264.72443	14.7
279.23312	90.8
396.19958	15.6
397.13589	100.0
415.14645	21.9
520.20251	17.9
905.46606	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	2.4
71.01237	45.8
72.99152	2.1
73.01099	1.8
73.02802	100.0
73.04674	1.1
75.00715	0.7
83.01237	27.0
85.02802	8.0
87.00710	0.9
89.02295	17.8
95.01240	2.8
96.95781	0.6
97.02802	2.0
99.00723	1.0
100.99570	1.4
101.02300	87.8
104.38386	0.6
113.02306	29.1
119.03348	9.5
125.02312	2.9
131.03374	8.6
134.15657	0.9
143.03392	11.0
149.04448	17.1
155.03391	2.9
159.57054	0.7
161.04443	33.7
164.58961	0.7
174.57208	0.9
179.05431	0.8
188.13724	0.8
189.12747	2.2
203.05554	3.8
221.06635	10.7
418.06882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
74.09547	1.0
82.02833	3.5
94.41470	1.0
113.08034	1.2
120.04421	1.8
124.08847	1.1
128.77171	1.0
136.07574	3.8
138.82083	1.0
147.03171	1.0
148.03922	17.1
149.04724	6.4
150.05492	19.0
154.04913	1.7
159.38847	1.1
160.03999	2.1
161.04724	6.0
162.05588	1.5
163.02586	1.8
164.03448	5.8
166.08633	2.2
167.18192	1.1
173.03477	10.7
174.04248	17.1
174.05563	1.2
175.04996	5.6
175.06342	4.1
186.05559	1.9
187.06392	2.1
189.06604	11.4
190.07385	24.3
191.05783	1.2
191.08191	2.1
192.02850	1.9
200.07161	2.5
201.07915	3.6
202.07381	3.9
202.08914	2.1
203.08047	1.5
214.11099	2.1
215.08226	4.1
217.07695	2.0
217.09839	4.1
227.09554	1.9
228.06718	3.1
231.07693	19.1
232.08484	30.6
233.09235	5.6
241.09781	2.0
242.08240	2.5
243.07854	4.3
244.08614	9.2
244.10272	1.1
245.09337	5.5
246.07742	1.8
259.10855	1.7
262.09668	3.1
271.08511	1.7
285.08734	1.9
286.09711	6.5
287.10587	1.4
303.09799	2.7
315.13623	9.3
337.10709	1.8
340.12979	3.6
398.17313	14.4
410.17450	6.2
419.32675	1.2
428.18289	1.8
428.53265	1.5
434.17337	1.9
452.18225	7.0
453.16885	3.6
467.16675	2.0
470.19308	66.5
494.75287	1.5
496.16849	1.5
548.91406	1.2
561.23431	2.8
615.24268	7.3
633.25732	100.0
634.26489	2.0
689.52832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27884	0.5
71.01232	2.9
73.02808	1.3
78.95759	66.2
78.97642	0.9
79.95584	4.6
85.02784	1.2
87.00716	0.6
89.02282	5.1
96.95866	100.0
96.96819	78.1
96.98382	1.6
96.99347	1.1
101.02291	5.5
113.02306	1.8
119.03352	1.5
126.97131	0.6
137.96698	0.5
138.97913	1.5
143.03429	0.7
150.97997	0.6
161.04442	1.9
179.05534	4.2
187.06328	0.6
199.00032	0.7
221.06628	3.1
241.01207	1.9
250.05139	0.6
259.02246	14.1
277.35742	0.6
279.81326	0.7
296.47348	0.5
341.10776	0.8
343.62341	0.6
383.12091	1.9
421.07629	4.9
424.69305	0.7
488.77722	0.6
491.52487	0.6
670.22565	0.8
701.76208	0.6
827.26837	15.6
903.52362	0.7
925.24377	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01239	45.9
73.02801	94.6
83.01244	27.5
89.02334	20.9
101.02287	100.0
113.02319	41.0
128.03409	12.2
149.04494	27.2
161.04472	44.6
221.06760	19.9
409.90225	12.8
552.71722	16.7
651.82013	15.8
829.40710	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	2.9
71.01233	27.2
71.02557	2.4
73.02821	6.2
75.36353	3.5
85.02813	4.5
87.00734	5.6
87.42355	2.9
89.02295	26.6
91.72694	4.5
97.02836	4.5
101.02303	19.5
113.02304	15.6
116.15486	2.6
119.03379	6.6
122.00391	3.3
122.28093	2.8
125.02341	11.0
135.11693	8.0
143.03384	5.2
147.11674	21.6
161.04485	7.4
179.05608	4.1
179.10687	4.6
191.10692	26.0
209.11783	62.4
235.08284	8.8
253.09441	3.6
277.21725	100.0
328.42886	4.1
379.12421	15.8
397.13550	81.3
415.14725	32.4
488.33853	3.3
502.76340	3.1
589.25122	6.8
675.35638	4.9
885.07666	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30465	0.9
69.03285	0.9
71.01232	11.2
73.02802	3.4
75.00716	1.6
85.02814	3.1
87.00723	0.9
89.02303	16.6
93.03363	1.1
93.81183	0.9
95.31379	1.0
97.02784	2.1
100.29587	0.9
101.02296	12.5
113.02311	5.9
117.01752	2.0
119.03403	7.0
119.04891	100.0
119.08232	1.5
125.02335	2.8
135.02856	5.6
143.03391	2.9
161.04538	4.9
163.03908	40.0
179.02068	1.0
179.05511	6.9
202.74310	1.4
221.06615	10.6
289.56030	1.4
341.10919	1.3
383.11948	8.3
562.64728	1.2
678.39893	1.4
686.63501	1.3
693.96674	1.3
811.25110	23.5
929.27972	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56844	0.6
71.01240	5.7
72.64422	0.7
73.02789	1.4
74.43567	0.9
85.02806	1.8
85.23203	0.8
85.68462	0.7
88.82339	0.7
89.02295	9.1
93.03289	1.7
98.77677	0.7
101.02305	6.9
105.73737	0.8
108.42533	0.9
113.02314	5.0
119.03410	3.8
119.04889	100.0
119.08339	1.2
123.04356	1.1
125.02307	1.5
131.03377	1.0
131.66051	0.9
135.02863	2.6
161.04462	1.7
163.03903	46.9
179.05531	5.0
213.28236	0.8
221.06615	6.8
340.95398	1.3
383.12097	4.3
692.92035	1.0
783.24261	1.2
811.25055	22.3
929.27618	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02851	2.1
71.01238	23.6
73.02797	3.9
78.95749	5.0
85.02800	4.7
87.00729	5.5
89.02298	24.1
96.95888	10.6
101.02303	20.6
109.02835	2.6
113.02306	13.7
114.36298	2.8
119.03330	6.2
119.08527	2.8
122.66679	2.6
125.02331	10.6
135.11693	6.1
143.03432	3.8
147.11693	19.9
148.24539	2.6
161.04460	5.9
179.05540	6.0
191.10643	19.8
209.11760	59.7
235.08292	9.6
253.09038	3.1
264.93262	2.6
279.23288	100.0
279.26321	5.3
302.77484	2.9
303.23404	3.3
305.08655	3.3
354.68637	2.8
379.12506	15.8
397.13483	71.8
415.14706	20.3
604.42981	3.4
631.64551	3.1
677.37451	4.7
929.49377	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23405	0.9
70.67709	0.9
71.01222	0.9
73.02798	3.6
75.00720	11.7
75.01062	1.1
87.00735	4.4
89.02286	2.9
91.73386	1.9
117.01813	7.6
119.04888	43.2
134.98715	1.0
135.02870	66.4
145.02855	1.8
162.98360	1.4
163.03903	100.0
192.66296	1.2
233.34744	1.2
281.06662	34.0
312.11963	0.9
604.51404	1.2
658.11328	1.1
816.14331	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.643
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32111	0.1
70.66817	0.1
71.33858	0.1
81.03331	0.2
83.04867	0.8
93.76112	0.1
156.94777	0.2
187.87581	0.2
216.39691	0.2
224.17686	0.2
225.16109	0.9
264.05151	0.2
407.34326	0.2
451.27429	0.2
451.32864	0.9
903.66498	3.9
939.64276	100.0
940.64191	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28642	8.9
70.52262	8.0
71.30856	8.8
74.12361	11.4
74.64470	9.7
75.82053	9.6
85.02804	89.9
94.77889	11.1
101.57690	10.0
103.03875	100.0
103.58755	9.9
111.39529	9.9
117.27798	9.6
145.89149	11.1
171.06535	46.9
434.79153	12.1
549.45807	13.1
943.79071	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.86462	0.4
71.01246	0.7
78.93803	0.7
78.95761	57.1
78.97536	0.8
89.02296	1.1
95.99081	0.3
96.40413	0.3
96.94095	1.1
96.95921	8.0
96.96819	100.0
96.99184	1.3
101.02289	0.5
118.51397	0.3
119.03360	0.5
121.92342	0.6
138.97882	0.6
175.42287	0.4
179.05534	0.5
203.91266	0.4
259.02240	4.3
270.81924	1.0
312.24829	0.4
439.08334	0.7
503.16135	3.0
536.90198	0.4
594.31238	0.4
601.13922	41.3
689.50836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03005	0.5
69.03308	2.9
69.46185	0.6
70.99538	0.6
71.01237	44.2
71.02767	1.1
72.99155	1.2
73.01015	1.2
73.02804	100.0
73.04390	1.8
75.00732	1.7
81.03301	1.0
83.01240	22.6
83.04879	0.7
84.81343	0.5
85.02804	7.6
85.06438	1.1
87.00743	1.7
89.02297	15.3
89.02842	0.9
95.01251	2.3
95.04907	0.7
97.02811	1.6
99.00723	0.7
99.04359	0.8
100.99445	1.0
101.02302	85.0
101.04877	1.1
107.04888	11.5
109.06499	0.6
111.04362	1.3
112.70901	0.6
113.02304	27.0
119.03357	6.7
119.04848	1.2
121.06462	1.0
123.08046	1.5
125.02302	3.7
125.05912	0.6
131.03375	10.6
135.08057	2.3
137.05948	2.0
143.03380	7.7
145.10165	0.6
147.08092	1.6
149.04445	11.7
149.05952	8.9
155.03416	3.7
157.80962	0.6
161.04448	23.7
162.06744	0.7
163.11183	15.4
167.07071	0.7
175.07631	1.0
177.12785	2.3
187.11198	7.1
190.09926	2.1
202.34120	0.5
203.05556	2.2
205.12279	90.5
209.99744	0.6
221.06606	3.2
223.13332	5.0
325.63733	0.6
427.19736	0.8
448.91684	1.1
496.88187	0.7
970.44299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03290	1.5
71.01244	4.3
80.04919	2.9
83.01241	4.3
84.04410	3.2
86.02374	1.8
88.03905	9.3
89.02295	29.3
94.02863	2.1
96.04412	1.8
97.02828	1.7
98.02293	2.3
98.05983	2.2
100.03896	25.5
101.02315	4.5
102.05482	9.7
108.04430	1.4
112.03899	7.8
113.02322	1.4
113.07022	1.5
114.05460	3.1
116.07027	4.6
124.03921	13.6
125.02356	1.9
126.05446	2.9
128.03406	27.9
129.10170	7.1
130.68614	1.4
136.03928	3.2
138.05493	1.9
140.03362	2.3
142.04990	17.7
146.04471	5.5
154.04987	6.7
159.07660	1.8
160.06033	13.1
166.05028	3.0
167.96298	1.4
184.06075	5.3
188.78810	1.6
202.07204	11.6
227.10445	1.6
245.11406	5.1
259.28619	1.7
274.09314	5.7
279.12320	1.6
345.13034	11.0
430.18320	3.7
530.20313	3.7
548.21039	8.7
680.25354	3.7
751.29749	3.3
823.31116	25.8
952.35400	100.0
953.35553	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01234	0.6
71.75051	0.4
72.99146	1.1
73.22533	0.4
75.00730	20.4
89.02297	4.1
94.33458	0.4
94.52082	0.4
102.79412	0.4
116.42498	0.4
117.01802	1.9
119.59942	0.4
133.02843	1.7
135.02869	100.0
135.04323	5.4
135.07045	1.4
136.03215	0.5
161.02339	4.9
167.10930	0.4
177.01784	0.5
179.03424	5.3
222.20584	0.4
240.29631	0.4
274.89075	0.4
297.06165	31.7
297.65833	0.5
311.07565	0.6
356.49213	0.4
609.25226	0.5
641.75836	0.5
759.13422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	12.5
83.16210	4.9
87.00767	8.0
89.02327	18.3
90.05382	6.4
91.74551	4.6
101.02351	21.1
110.32288	5.0
113.02347	12.3
113.04954	5.0
125.02360	8.9
135.11731	8.5
135.86137	5.0
143.03456	6.6
147.11702	13.3
161.04478	9.7
191.10753	17.3
203.66711	6.9
209.11752	46.3
229.04179	5.8
235.08344	6.7
303.23297	100.0
353.78244	6.0
357.52145	7.4
397.13544	76.0
415.14679	21.7
589.24878	8.3
654.73285	9.6
695.09662	7.0
762.40082	6.8
821.47498	7.0
873.23138	8.0
965.87274	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01228	13.9
82.02847	5.5
88.20278	4.4
89.02283	13.5
94.52591	4.5
96.95892	5.0
101.02289	11.2
113.02310	8.2
119.03395	5.6
134.04457	5.7
141.31337	5.0
148.03960	23.9
150.05469	33.4
151.30824	5.1
154.03079	4.7
160.03754	5.9
161.04684	14.8
167.90720	4.7
173.03496	23.0
174.04272	17.9
175.05070	14.3
176.60495	5.4
189.06676	23.6
190.07411	21.7
213.10350	5.9
215.08252	10.5
215.11823	18.8
217.09827	8.3
221.06561	9.8
231.07693	22.0
232.08524	23.2
233.09120	6.6
241.09816	45.9
243.07733	13.4
244.09724	8.2
245.09297	10.3
259.10898	11.4
262.09811	6.1
285.08804	21.6
286.09583	8.6
303.09918	8.6
306.39389	5.5
317.14560	7.2
426.77725	5.7
639.24347	7.6
684.10718	6.3
722.27478	11.4
776.28851	19.4
794.29907	81.0
939.35242	10.0
957.36206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	9.8
71.12948	3.1
82.02848	7.1
89.02325	8.2
91.33844	2.7
101.02325	8.5
102.86593	2.8
112.03912	5.2
113.02306	6.1
120.04391	6.0
148.03941	32.9
149.04793	7.3
150.05496	34.5
154.04948	3.0
160.03955	3.6
161.04733	16.5
162.05466	4.1
164.03439	8.2
173.03439	28.2
174.04282	26.7
174.05592	4.9
175.05061	18.4
175.06409	8.1
187.06310	5.3
188.07057	4.0
189.06606	29.5
190.05093	3.7
190.07405	30.4
191.08176	6.5
200.07086	5.3
201.07913	4.9
202.07339	6.2
209.30597	3.1
213.10301	4.2
215.08313	9.5
217.07669	3.2
217.09848	11.9
221.06680	14.9
231.07724	35.1
232.08519	32.1
233.09370	10.7
241.09888	9.6
242.08235	5.2
243.07933	11.3
244.08266	6.2
244.10164	5.7
245.09380	10.4
262.09875	4.3
267.07697	5.9
268.08652	4.0
285.08899	5.3
286.09671	12.0
449.15991	3.7
578.85687	3.3
639.24304	6.1
704.27728	3.8
722.27740	9.9
752.29327	4.0
758.28351	7.2
776.28601	15.4
794.29858	100.0
939.35016	19.3
957.36237	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	6.0
89.02299	12.5
101.02289	10.5
102.07129	3.6
102.89295	3.7
113.02309	7.0
120.04424	8.4
128.72835	4.6
136.07646	5.7
148.03951	31.7
149.04739	6.8
150.05510	38.1
161.04697	18.4
162.05511	7.0
164.03482	8.8
173.03477	25.8
174.04243	17.9
174.05559	4.3
175.05009	19.2
175.06348	6.2
187.06290	4.9
189.06596	24.1
190.07431	31.0
214.11089	6.7
217.07739	4.5
217.09833	10.9
221.06714	10.4
231.07756	24.3
232.08537	31.8
232.10551	5.0
233.09355	13.5
241.09946	13.2
242.08244	6.1
243.07669	9.2
244.10117	5.2
245.09306	11.3
259.10974	5.5
270.97708	4.4
285.08963	12.4
286.09576	7.5
303.10034	6.0
336.05447	4.2
639.24084	15.4
722.27765	12.1
776.29028	12.8
794.29761	80.8
939.35431	13.0
946.27075	5.1
957.36115	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5754
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	25.2
71.26911	3.0
73.02813	3.9
85.02818	5.5
87.00708	5.7
89.02300	28.6
91.72686	5.8
97.75710	3.2
101.02316	20.1
101.02866	3.6
111.25508	3.2
113.02319	10.9
119.03374	7.8
125.02322	10.0
125.09591	5.0
135.08028	3.4
143.03369	4.8
153.09116	17.3
163.11198	3.6
163.82886	3.4
171.10188	37.7
178.09990	5.2
179.05511	11.7
185.11731	8.4
197.11752	10.4
198.04527	4.1
209.11755	70.2
221.06676	7.2
235.08243	5.8
255.23271	82.2
289.18127	14.9
297.20782	5.2
307.19162	100.0
325.20169	40.4
379.12637	10.0
397.13580	46.0
415.14569	13.6
677.30682	4.8
687.33051	10.1
705.33453	35.4
874.49976	5.2
943.56537	37.2
961.56140	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.263
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01218	2.3
75.00732	20.5
81.67139	1.0
89.02309	4.2
101.02272	1.1
115.92113	1.2
117.01801	2.7
133.02840	5.3
134.03528	3.4
135.02870	88.0
135.04407	81.9
135.05475	2.4
135.06952	1.1
161.02347	4.4
168.91757	1.1
175.54436	1.0
177.01810	2.4
178.02129	1.1
179.03416	100.0
179.09457	1.5
216.82892	1.1
297.06171	11.5
305.08127	1.1
444.05075	1.2
665.19519	36.0
666.20154	1.4
677.16376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74273	0.3
69.75816	0.2
71.35725	0.5
73.21400	0.3
85.00829	1.5
85.02805	100.0
85.05078	1.0
86.03158	0.4
103.01215	1.1
103.03867	82.9
103.06877	0.9
127.43961	0.4
136.63614	0.3
171.06531	26.3
185.52458	0.3
189.07628	2.8
192.71376	0.3
208.72044	0.3
225.95483	0.4
237.52751	0.4
257.10306	1.3
309.04205	0.3
977.10925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6872
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83233	0.1
74.21074	0.2
75.17052	0.1
79.39571	0.1
81.03316	5.0
83.02850	0.2
83.04881	14.0
84.05184	0.1
90.00694	0.1
91.73416	0.3
100.07550	0.3
102.67600	0.2
107.06010	0.3
108.04426	0.5
114.64209	0.2
121.50088	0.2
123.83717	0.2
125.07107	0.9
126.05479	0.4
143.08133	0.5
185.24847	0.2
199.18124	0.2
207.14969	1.4
224.17650	3.1
225.16052	12.6
242.18678	0.9
268.16681	0.2
290.22281	0.2
308.23544	0.3
309.21851	1.0
324.26651	0.5
333.23007	0.6
339.27667	0.2
341.29297	1.5
353.84604	0.2
366.82465	0.2
367.27271	1.1
385.28119	0.6
433.32037	1.8
438.87689	0.2
450.34534	1.9
451.32950	11.6
535.38733	0.4
550.43597	1.1
567.46173	0.9
593.43860	0.6
633.50916	0.2
658.92505	0.2
659.48413	0.6
676.51190	0.8
677.49786	2.7
776.60364	1.4
791.61401	0.3
793.63849	0.2
885.65771	1.4
903.66614	100.0
904.66998	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03300	1.0
70.21102	0.8
71.01237	7.4
73.02787	1.0
78.61322	0.7
78.95752	0.8
80.62244	0.8
81.69996	0.8
83.01250	1.2
83.09722	0.8
85.02813	2.4
87.00723	1.5
88.71789	0.7
89.02287	8.6
97.02813	1.7
99.08019	3.6
101.02292	8.1
113.02314	3.4
114.07360	0.8
119.03367	2.8
125.02312	2.4
127.11131	4.4
134.57120	0.8
139.11154	10.5
143.03448	1.0
149.04352	0.8
155.10571	1.2
161.04475	1.8
171.10162	29.2
179.05522	2.8
183.13861	1.2
195.17285	0.8
196.05011	1.0
211.13362	12.3
221.06618	1.5
229.14429	8.1
235.08215	2.2
241.15314	0.9
255.23300	20.6
293.21277	2.4
305.08810	2.2
311.22253	7.4
329.23340	100.0
349.43130	1.0
397.13513	17.6
415.14655	13.1
567.46210	1.9
635.55774	1.0
653.37555	1.8
683.69666	0.9
709.36224	7.5
727.38153	5.3
965.59161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6605
Annotation	Unknow
Peak:m/z	Relative Intensity
76.26422	2.0
77.80843	1.7
81.27110	2.1
82.86527	1.8
83.04869	11.1
96.95827	2.4
99.88658	2.1
111.15381	2.5
133.30019	2.4
155.69621	2.1
170.86745	2.2
179.60400	1.9
225.16020	3.5
226.16286	3.2
249.32655	2.0
312.96860	2.0
429.24924	2.6
452.33746	3.8
532.28174	2.4
643.35254	2.5
741.33160	2.4
861.43176	2.7
904.67316	6.5
905.67084	24.3
906.67505	52.2
937.16846	2.9
966.66113	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01237	14.9
73.02805	3.4
83.46802	2.2
85.02799	4.1
87.00734	2.3
89.02298	17.1
97.02789	3.0
99.04443	2.5
101.02324	12.5
101.02887	2.3
113.02307	7.4
119.03387	6.9
125.02316	4.4
143.03389	4.5
179.05565	5.2
195.13867	10.1
223.13374	6.5
235.08215	4.9
236.10643	3.4
247.90967	3.1
253.09518	5.5
275.20132	7.1
279.23315	55.8
293.21231	100.0
335.22244	3.5
351.32202	2.6
366.52438	2.5
373.35880	2.8
397.13525	77.5
415.14691	22.4
536.41162	3.7
677.37109	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.556
Annotation	Unknow
Peak:m/z	Relative Intensity
78.37350	1.4
97.00517	1.5
107.01277	3.0
109.02814	28.1
121.02836	1.7
123.04444	2.0
124.98632	1.9
125.02317	100.0
131.83569	1.7
133.02835	27.4
149.02382	6.0
151.00320	6.2
167.03477	5.1
175.57063	1.2
177.01848	33.0
177.03323	2.1
180.37616	1.3
189.25809	1.5
193.01340	30.7
235.65077	1.5
264.71167	1.5
285.04141	5.2
303.01624	3.7
303.05124	45.1
310.05984	1.6
313.25876	1.6
432.42981	1.7
461.90512	1.7
470.93640	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	3.1
69.03327	1.6
71.01236	10.7
72.99168	1.0
73.02823	3.0
75.00745	2.9
80.38656	1.0
83.01263	1.8
85.02802	10.2
87.00731	6.2
89.02300	10.2
95.01239	2.1
96.95870	8.5
97.02834	2.6
99.00743	10.7
101.02294	9.7
103.62289	1.3
108.02050	0.9
111.00758	3.3
112.98678	1.1
113.02301	12.2
113.99464	9.0
115.00242	12.3
115.03876	1.0
119.03405	4.8
125.02303	1.4
127.00221	7.5
129.01877	1.9
139.00272	2.6
143.03357	1.9
156.00609	1.6
157.01366	4.0
161.04509	2.9
174.01663	6.2
175.02388	3.2
179.05539	6.5
186.98161	1.2
221.06631	8.1
233.58011	1.1
277.05716	3.5
283.89713	1.1
317.05457	2.1
383.12228	5.4
922.42889	1.3
925.26941	1.9
985.28986	100.0
986.30084	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3206
Annotation	Ajugose
Peak:m/z	Relative Intensity
69.95311	1.0
71.01240	34.8
72.99158	1.8
73.02802	13.3
83.01237	5.3
85.02791	9.9
87.00706	6.8
89.02294	50.5
89.02845	2.8
95.01253	3.3
96.95889	3.6
97.02795	7.3
99.00734	2.9
101.02299	51.9
101.02959	3.2
101.07993	1.2
109.82775	1.2
113.02306	29.4
115.03918	1.9
119.03372	22.2
125.02308	4.4
130.94868	1.2
131.03389	4.7
143.03377	7.4
149.04515	1.8
161.04439	16.6
179.05524	36.7
203.05551	3.6
221.06636	30.4
235.12158	1.5
244.14397	1.4
281.08636	2.4
324.18591	1.4
341.10928	9.3
380.77567	1.6
383.11957	31.1
443.13824	1.8
445.43091	1.6
503.16245	4.2
512.60193	1.8
545.17401	9.3
647.20496	4.3
707.22467	2.0
809.25732	2.5
989.32043	100.0
990.32593	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
77.60315	0.8
78.95763	7.4
117.11060	0.8
140.01039	1.6
152.99429	1.1
189.11276	1.0
194.53564	0.8
196.03737	1.6
204.79797	1.1
214.04742	2.0
277.21735	100.0
280.66422	1.0
298.60538	0.9
353.65067	1.1
416.92700	1.0
474.26273	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01239	54.9
71.01640	2.8
73.02804	27.3
74.94181	1.9
78.08240	2.0
83.01243	5.0
85.02793	19.3
87.00741	12.5
89.02296	97.0
97.02808	10.1
99.00739	6.2
101.02298	98.1
113.02306	40.3
113.03089	2.5
119.03372	42.4
119.04858	3.4
125.02329	7.3
131.03363	10.1
143.03345	14.1
149.04416	4.1
161.04443	30.3
163.03885	7.1
170.26814	2.2
179.03944	5.3
179.05521	100.0
221.06612	78.8
269.55682	2.0
281.08887	3.4
341.10898	16.5
383.11993	29.2
425.12930	4.0
466.94781	2.3
503.16205	18.8
521.31110	2.6
545.17297	61.0
605.19928	6.7
665.21753	6.0
707.22699	37.0
913.30469	71.2
999.34222	82.9
END